Dr. Barbara Szpunar, P. Eng.
PUBLICATIONS
SUBMITTED
FOR PUBLICATION OR UNPUBLISHED PAPERS.
- Over 60
PROTECTED-Proprietary technical documents on the simulations for CANDU
fuel (see Appendix).
- Szpunar B., Zugic R., Poropat L., Erb U., Aust K. T. and
Palumbo G., unpublished, Elastic Properties of Nanocrystalls.
FULL
JOURNAL PAPERS.
- Szpunar B., Nucl. Mater. Energy, 32 (2022) 101212, pp. 5, https://doi.org/10.1016/j.nme.2022.101212, First principles investigation of the
electronic-thermal transport of ThN, UN and ThC.
- Ranasinghe
J.I., Szpunar B., Szpunar J.A., Thermal conductivity in pure molybdenum
and in molybdenum doped U3O8, submitted.
- Szpunar B., Ranasinghe J.I., and Szpunar J.A., Malakkal
L., J. Phys. and Chem. Solids, 165 (2022) 110647, pp. 7, https://doi.org/10.1016/j.jpcs.2022.110647, Comparison of the
electronic transport of ThN against ThC.
- Szpunar B., Ranasinghe J.I., and Szpunar J.A., J. Mod. Phys. the
special issue: "Nuclear Science and Technology", 12 (2021)
1349-1357, DOI:
10.4236/jmp.2021.1210084,
Electronic transport of uranium mononitride.
- Szpunar B., Ranasinghe J.I., Malakkal
L., and Szpunar J.A., J. Alloys Compd., 879
(2021) 160467, pp. 8, https://doi.org/10.1016/j.jallcom.2021.160467,
First principles investigation of
thermal properties of thorium mononitride.
- Ranasinghe
J.I., Malakkal, Szpunar B., Prasad A., Jossou E., Szpunar J.A., Bichler
L., J. Nucl. Mater., 549 (2021)
152900, pp. 15, https://doi.org/10.1016/j.jnucmat.2021.152900,
DFT and experimental study on the
thermal conductivity of U3O8 and U3O8
-X; (X = Al and Mo).
- Szpunar B., Ranasinghe J.I., Malakkal
L., and Szpunar J.A., Solid State Comm., (2021) 114131, pp. 5, https://doi.org/10.1016/j.ssc.2020.114131
First-principles investigation of
electrons’ thermal excitations in UN, UAl2 and ThN.
- Malakkal
L., Jossou E., Ranasinghe
J., Szpunar B., Szpunar J.A., J. of Phys. Chem. C, (2020) 24849–24860, https://pubs.acs.org/doi/10.1021/acs.jpcc.0c07770,
A density functional study of the
oxidation behavior of ThN.
- Szpunar B., Ranasinghe J.I., Malakkal
L., and Szpunar J.A., J. Phys. and
Chem. Solids, 146 (2020),109636, pp. 9, https://doi.org/10.1016/j.jpcs.2020.109636, First principles
investigation of thermal transport of uranium mononitride.
- Ranasinghe
J.I., Malakkal L., Jossou
E., Szpunar B., and Szpunar J.A., J. Nucl. Mater.,
540 (2020) 152359, pp. 10, https://doi.org/10.1016/j.jnucmat.2020.152359,
Density functional theory study of
the structural, mechanical and thermal conductivity of uranium dialuminide (UAl2).
- Jossou
E., Malakkal L., Ranasinghe
J.I., Szpunar B. and Szpunar J.A., Comp.
Mater. Sci., 172 (2020), 109324 pp. 10, https://doi.org/10.1016/j.commatsci.2019.109324,
Thermophysical properties of (UxAm1−x)O2 MOX fuel.
- Rahman M.J., Szpunar B.,
Szpunar J.A., J. Nucl. Mater., 532 (2020)
152050, pp.13, https://doi.org/10.1016/j.jnucmat.2020.152050,
Dependence of Thermal Conductivity on
Fission-product Defects and Porosity in Thorium Dioxide.
- Szpunar B., Szpunar J.A.,
ASME J. of Nucl. Eng. and Rad. Sci., 6 (1)
(2020) 011502, pp. 5, https://doi.org/10.1115/1.4044751,
Enhanced accident tolerance of thoria-based nuclear fuels.
- Ranasinghe
J.I., Malakkal L., Jossou
E., Szpunar B., and Szpunar J.A., Comp.
Mater. Sci., 171 (2020), 109264 pp. 9, https://doi.org/10.1016/j.commatsci.2019.109264
, Comprehensive study on the electronic and
optical properties of α-U3O8. (ResearchGate achievement September 23, 2019: The most
read item in our department).
- Malakkal
L., Prasad A, Ranasinghe J., Jossou
E., Oladimeji D., Szpunar B., Bichler L., Szpunar J., J.
Nucl. Mater, 527 (2019) 151811, pp. 10. https://doi.org/10.1016/j.jnucmat.2019.151811, The
effect of SPS processing parameters on the microstructure and thermal
conductivity of ThO2.
- Jossou
E., Ranasinghe J.I., Malakkal
L., Szpunar B. and Szpunar J.A., submitted (2019) Stability of noble gases in uranium diboride:
An atomic-scale study.
- Malakkal L., Prasad A., Jossou E., Ranasinghe j., Szpunar B., Bichler
L., Szpunar J., J. Alloys Compd.,
798 (2019) 507-516, https://doi.org/10.1016/j.jallcom.2019.05.274,
Thermal
conductivity of bulk and porous ThO2: Atomistic and
experimental study.
- Jossou
E., Malakkal, L., Dzade N.Y., Claisse A. , Szpunar B., Szpunar J.A., Phys. Chem. C. (2019) 123, 32,
19453-19467, https://pubs.acs.org/doi/10.1021/acs.jpcc.9b03076,
DFT+U study of the adsorption and
dissociation of water on clean, defective and oxygen-covered U3Si2
{001}, {110}, and {111} surfaces.
- Jossou
E., Rahman M.J., Oladimeji D.,
Szpunar B., Szpunar J.A., J. Nucl. Mater, 521
(2019) 1–12, https://doi.org/10.1016/j.jnucmat.2019.04.033, Anisotropic thermophysical properties of U3Si2
fuel: An atomic scale study,.
- Malakkal
L., Prasad A, Oladimeji D, Jossou
E., Ranasinghe J., Szpunar B., Bichler L., Szpunar J., Nature Scientific Reports 9 (2019) ISSN 2045-2322, 6326, https://www.nature.com/articles/s41598-019-42807-5,
Atomistic and experimental study on
thermal conductivity of bulk and porous cerium dioxide.
- Rahman M.J., Szpunar B.,
Szpunar, Comp. Mater. Sci. (2019) 166,
193-199, https://www.sciencedirect.com/science/article/pii/S0927025619302848, Molecular Dynamics Study of Primary Radiation Damage in PuO2 and (U0.5Pu0.5)O2.
- Rahman M.J., Szpunar
B., Szpunar J.A., J. Nucl. Mater.,
(2019) 513 8-15, https://doi.org/10.1016/j.jnucmat.2018.10.038, Comparison of
Thermomechanical Properties of (Ux,Th1-x)O2, (Ux,Pu1x)O2 and (Pux,Th1-x)O2 System.
- Szpunar B., Malakkal L., Rahman J., Szpunar J.A., J. Am. Ceram.
Soc., (2018) 101 (10) 4753-4762, https://onlinelibrary.wiley.com/doi/abs/10.1111/jace.15712,
Atomistic modeling of
thermo-mechanical properties of cubic SiC.
- Jossou
E., Ubong
E., Nelson D., Szpunar B., Szpunar J.A., Phys. Chem.
Chem. Phys., (2018) 20, 4708-20, https://pubs.rsc.org/en/content/articlelanding/2018/cp/c7cp07154j#!divAbstract,
Oxidation behaviour of U3Si2:
An experimental and first principles investigation.
- Ranasinghe
J.I., Szpunar B., Jossou E., Malakkal
L., and Szpunar J.A., (2018) ASME J. of Nucl.
Eng. and Rad. Sci., http://nuclearengineering.asmedigitalcollection.asme.org/article.aspx?articleid=2678275,
Study on radial temperature
distribution of aluminum dispersed nuclear fuels: U3O8-Al,
U3Si2-Al , and UN-Al, 4,
031020 pp.7. (ResearchGate
achievement June 17, 2018: The most read research item in our department).
- Rahman M.J., Szpunar B.,
Szpunar J.A., J. Nucl. Mater (2018) 510, 19-26. https://doi.org/10.1016/j.jnucmat.2018.07.049,
Effect of Fission Generated Defects
and Porosity on Thermo-Mechanical Properties of Thorium Dioxide.
- Rahman M.J., Cooper M. W.
D., Szpunar B., Szpunar J.A., Comp. Mater. Sci.
(2018) 154, 508-516, https://doi.org/10.1016/j.commatsci.2018.08.024,
Primary Radiation Damage on
Displacement Cascades in UO2, ThO2, and (U0.5Th0.5)O2.
- Szpunar
B., Malakkal L., Chung
S., Nateen M., Jossou E. and Szpunar
J.A., MATEC Web of Conferences 130 (2017) 03001, https://doi.org/10.1051/matecconf/201713003001,
Accident tolerant composite nuclear
fuels (Best Paper Award ).
- Oladimeji
Dotun, Malakkal Linu, Szpunar Barbara, Jossou
Ericmoore, and Szpunar Jerzy, Int. J. of Metall.
and Met. Phys., (2017), 2:006, http://vibgyorpublishers.org/content/international-journal-of-metallurgy-and-metal-physics/ijmmp-2-006.pdf,
First principles study of thermal
transport properties of gallium phosphide.
- Jossou
E., Oladimeji D., Malakkal
L., Middleburgh S., Szpunar B., Szpunar J.A., J. Nucl.
Mater, (2017), 494, 147-156, https://dx.doi.org/10.1016/j.jnucmat.2017.07.027, First-principle
study of defects and fission product behaviour in uranium diboride.
- Rahman M. J., Szpunar B.,
Szpunar J. A., Mater. Res. Express, (2017) 4, 075512, 1-8, https://doi.org/10.1088/2053-1591/aa7c34, The Induced Anisotropy in Thermal
Conductivity of Thorium and Cerium Dioxide.
- Jossou E., Malakkal L., Szpunar B., Oladimeji D., Szpunar J.A., J. Nucl. Mater., (2017), 490,
41-48, http://dx.doi.org/10.1016/j.jnucmat.2017.04.006,
A first principles study of the
electronic structure, elastic and thermal properties of UB2.
- Malakkal
L., Szpunar B., Siripurapu R.K., R.K., Zuniga
J., Szpunar J.A., Solid State Sciences (2017) 65, 79-87, http://dx.doi.org/10.1016/j.solidstatesciences.2017.01.005,
Thermal conductivity of wurtzite and zinc blende cubic phases of BeO from ab initio calculations.
- Malakkal
L., Szpunar B., Siripurapu R.K., Szpunar J.A., Comput. Mater. Sci. (2017) 128, 249-256, http://dx.doi.org/10.1016/j.commatsci.2016.11.040,
Thermal conductivity of bulk and
nanowire of cubic-SiC from ab initio
calculations.
- Fayea
O., Szpunar J.A., Szpunar B., Beyeb A.C., Appl.
Surf. Sc. (2017) 392, 362-374, http://dx.doi.org/10.1016/j.apsusc.2016.09.032,
Hydrogen adsorption and storage on
Palladium -functionalized graphene with NH-dopant: A first principles
calculation.
- Choudhary
A., Malakkal L., Siripurapu
R.K., Szpunar B., Szpunar J.A., Int. J. Hydrogen Energ.
(2016) 41, 17652–17656, http://dx.doi.org/10.1016/j.ijhydene.2016.07.147,
First Principles Calculations of
Hydrogen Storage on Cu and Pd-decorated Graphene.
- Malakkal
L., Szpunar B., Siripurapu, R.K., Zuniga J.,
Szpunar J.A., Int. J. Comput. Mater. Sci. and
Eng. (2016) 1650008, pp. 15, http://dx.doi.org/10.1142/S2047684116500081,
First Principle calculation of
thermo-mechanical properties of Thoria using
Quantum Espresso.
- Szpunar
B., Szpunar J.A., J. Am. Ceram. Soc., 5 (2016) 1494-1497, http://dx.doi.org/10.1111/jace.14068,
First-Principles Molecular Dynamics
Studies of Oxygen Sublattice Melting in Thoria.
- Szpunar
B., Szpunar J.A., Sim Ki-Seob, J. Phys. and Chem. Solids, 90 (2016)
114-120, http://dx.doi.org/10.1016/j.jpcs.2015.10.011, Theoretical
investigation of structural and thermo-mechanical properties of thoria.
- Siripurapu R.K., Szpunar B., Szpunar J.A.,
International Journal of Nuclear Energy (2014) 2014, 912369, pp. 6, https://www.hindawi.com/journals/ijne/2014/912369/,
http://dx.doi.org/10.1155/2014/912369,
Molecular Dynamics Study of Hydrogen
in a-Zirconium.
- Szpunar
B., Szpunar J.A., International Journal of Nuclear Energy (2014) 2014,
178360 pp. 7. https://www.hindawi.com/journals/ijne/2014/178360/,
http://dx.doi.org/10.1155/2014/178360,
Thermal conductivity of uranium
nitride and carbide. (ResearchGate achievement
May 1, 2020: The most read research item in our department).
- Szpunar
B., Szpunar J.A., Solid State Sciences (2014) 36, 36-40, http://dx.doi.org/10.1016/j.solidstatesciences.2014.07.004
, Theoretical investigation of structural
and thermo-mechanical properties of thoria up to
3300 K temperature.
- Szpunar B., Szpunar J.A.,
Materials, Methods & Technologies (2014) 8,
741-750, http://www.scientific-publications.net/get/1000002/1401705428319451.pdf
, Thermal Conductivity in
improvement of Safety of Nuclear Fuel.
- Szpunar B., Szpunar J.A.,
Phys. Int. (2013) 4 (2), 110-119, http://dx.doi.org/10.3844/pisp.2013.110.119,
Thoria Ehancement
of Nuclear Reactor Safety.
- Szpunar B., Rangacharyulu C., Date' S. and Ejiri
H., Nuclear Instruments and Methods in Physics Research, A (2013) No. 729,
41-50, (erratum),
http://dx.doi.org/10.1016/j.nima.2013.06.106
, Estimate of Production of Medical
Isotopes by Photo-Neutron Reaction at the Canadian Light Source.
- Szpunar B., Szpunar J.A., Milman V., Goldberg A., Solid State Sciences, 24
(2013) 44-63, http://dx.doi.org/10.1016/j.solidstatesciences.2013.06.013
, Implication of volume changes in
uranium oxides: A density functional study.
- Szpunar B., Szpunar J.A., J. Phys. and Chem. Solids, 74 (2013) No.
11, 1632-9, http://dx.doi.org/10.1016/j.jpcs.2013.06.007 , Density Functional Studies of Selected Metal Dioxides.
- Szpunar B., Szpunar J.A.,
J. Nucl. Mater., 439
(2013) 243-250, http://dx.doi.org/10.1016/j.jnucmat.2012.10.009
, Application of Density Functional
Theory in Assessing Properties of Thoria and
Recycled Fuels.
- Szpunar B., J. Nucl. Sci. and Technol., 49 (2012) No. 12, 1186-1192, http://dx.doi.org/10.1080/00223131.2012.739348
, Assessment
of the Models of Urania Fuel Oxidation in Steam-rich Atmosphere.
- Szpunar B., J. Phys. and Chem. Solids, 73 (2012) 1003-9, http://dx.doi.org/10.1016/j.jpcs.2012.03.007, Investigation
of urania within LDA+U method.
- Szpunar B., Smith R.W., J.
Phys.: Condens. Matter, 22 (2010) 035105.1-6, http://dx.doi.org/10.1088/0953-8984/22/3/035105
, Molecular Dynamics Simulation of Diffusion of a Very Diluted Solute
(Au) and Self-diffusion of Solvent (Cu).
- Smith R.W.,
Scott P.J., and Szpunar B., Interdisciplinary Transport Phenomena: Ann. N.Y.
Acad. Sci. 1161 (2009) 526–536, Solute
Diffusion in Nonionic Liquids—Effects of Gravity (selfie
with austronaut).
- Lewis B. J., Szpunar B. and
Iglesias F. C., J. Nucl. Mater., 306 (2002)
30-43, http://dx.doi.org/10.1016/S0022-3115(02)01231-X,
Fuel oxidation and thermal conductivity
model for operating defective fuel rods.
- Szpunar B., Lewis B. J., Arimescu V. I., Dickson R. S. and Dickson L.W., J. Nucl. Mater., 294 (2001) 315-329, http://dx.doi.org/10.1016/S0022-3115(01)00422-6,
Multi-component gas transport in the
fuel-to-clad gap of candu fuel rods during
severe accidents.
- Szpunar B., Lewis L.J., Swainson I., Erb U., Phys. Rev.
B60 (1999) 10107-10113, https://doi.org/10.1103/PhysRevB.60.10107,
Thermal expansion and hydrogen diffusion in nanocrystalline
nickel.
- Aus
M. J., Cheung C., Szpunar B., Erb U. and Szpunar
J., J. Mater. Lett. 17 (1998) 1949-1952, Saturation Magnetization of
Porosity free Nanocrystalline Coobalt.
- Szpunar B., Aus M., Cheung C., Erb U.,
Palumbo G., Szpunar J., J. Magn. Magn. Mat., 187 (1998) 325-336. Magnetism in
nanostructured Ni-P and Co-W alloys.
- Erb U., Palumbo G., Szpunar B. and Aust K.T., Nanostructured Materials, 9 (1997) 261-270,
Electrodeposited vs. consolidated nanocrystals: differences and
similarities.
- Zugic
R., Szpunar B., Krstic V.D., Erb
U., Phil. Mag., 75 (1997) 1041-1055, Effect of Porosity on Elastic
Response; An Embedded-Atom Method (EAM) Approach.
- Szpunar B. and Smith R., Can. Metall. Quarterly, 35 (1996) 299-303,
DOI: 10.1016/0008-4433(96)00006-7, Monte Carlo
Simulation of Solidification Processes. Porosity.
- Szpunar B., Erb U., Palumbo G., Aust
K.T., Lewis L.J., Phys. Rev. B53 (1996) 5547-5556, Magnetism in
Complex Atomic Structures: Grain Boundaries in Nickel.
- Szpunar B., Can. Metall.
Quarterly, 34 (1995) 281-286, DOI: 10.1016/0008-4433(95)00013-n, Modelling the influence of structural and compositional disorder
on the magnetic properties of grain boundaries.
- Aus
M.J., Szpunar B., Erb U. ,El-Sherik
A.M., Palumbo G. and Aust K.T., J. Appl. Phys.
75 (1994) 1-6, Electrical Resistivity of Bulk Nanocrystalline
Nickel.
- Szpunar B., Physica C213 (1993), 389-393, Periodic boundary
cluster calculations for various solid C60 structures.
- Aus
M.J., Szpunar B., El-Sherik A.M., Erb U., Palumbo G. and Aust
K.T., Scripta Metall. 27 (1992), 1639-1643, Magnetic
Properties of Bulk Nanocrystalline Nickel.
- Szpunar B. and Smith V.H.
Jr., Phys. Rev. B45 (1992), 10616-10621, Electronic Structure of Bi4Sr4Ca2-xYxCu4O16
(x=0,1).
- Szpunar B., Physica C193 (1992), 55-62, The influence of
deformation twin boundaries and doping on the electronic structure of
CaCuO2.
- Szpunar B. and Smith V.H.
Jr., Phys. Rev. B44 (1991), 7034-7041, Magnetism and Electronic
Structure in YBa2Cu3O6 and YBa2Cu3O7.
- Szpunar B. and Smith V.H.
Jr.,Physica B163 (1990) 29-33, Antiferromagnetism and Semiconductivity.
- Szpunar B., Smith V. H. Jr.
and J. Spalek, Physica
C161 (1989) 503-511, Electronic Structure of Antiferromagnetic La2NiO4
and La1.5Sr0.5NiO4 Systems.
- Szpunar B., Smith V. H.,
Jr, J. Mol. Struct. (THEOCHEM) (P.- O. Löwdin Issue) 199 (1989) 313-326, Antiferromagnetism
in Copper Oxide Planes.
- Szpunar B., Smith V. H.,
Jr, Smith R. W., J. Mol. Struct. (THEOCHEM) 202
(1989) 347-361, Magnetism and Electronic Structure in the (123) and
(2212) Copper Oxides.
- Szpunar B., Smith V. H.,
Jr., Smith R. W. ,Int. J. Quantum Chem. S22 (1988) 33-42, Itinerant
Magnetism in High T Superconductors: YBa2Cu3O6
and Related Structures.
- Szpunar B. and Smith V. H.,
Jr., Phys. Rev. B37 (1988) 2338-2340, Electronic Properties and
Magnetism in High Tc Superconductors,.
- Szpunar B. and Smith V. H.,
Jr., Phys. Rev. B37 (1988) 7525-7528, Linear Muffin Tin - Orbital
Atomic - Sphere Approximation Calculations of the Electronic Structure of
YBa2Cu3O7 and YBa2Cu3O6.
- Szpunar B., Smith V. H.,
Jr. and Smith R. W., Physica C1 (1988) 91-98, Electronic
Structure of Antiferromagnetic YBa2Cu3O6.
- Szpunar B. and Wallace W.
E., Phys. Rev. B35 (1987) 1988-1992, Calculations of the Local Orbital
Moments in Y2Co17 Using the Recursion Method.
- Szpunar B., Wallace W. E.,
Szpunar J. A., Phys. Rev. B36 (1987), 3782-3790, The Local Spin and
Orbital Moment in Nd2Fe14B and Y2Fe17.
- Szpunar B., J. Less-Common
Met. 127 (1987) 55-59, The Local Spin and Orbital Moments and the
Local Magnetocrystalline Anisotropy in
Intermetallic Compounds.
- Szpunar B., Strange P.,
Wallace W. E., J. Less-Common Met. 128 (1987) 143-153, Binding Energy
and Magnetism of Transition Metal Hydrides.
- Atherton D. L., Szpunar B.,
Szpunar J. A.,IEEE Trans. on Mag. MAG-23 (1987) 1856-1865, A New
Approach to Preisach Diagrams.
- Szpunar J. A., Atherton D.
L. and Szpunar B., IEEE Trans. on Mag. MAG-23 (1987) 300-305, Analysis
of the Irreversible Processes of Magnetization in Steel.
- Szpunar B., Atherton D. L.,
Schonbachler M.,IEEE Trans. on Mag.,MAG-23
(1987) 3199-3201, An Extended Preisach Model
for Hysteresis Processes.
- Atherton D. L., Szpunar B.
and Sullivan S., Mat. Evaluat. 45 (1987)
1083-1086, The Application of Finite Element Calculations to the
Remote Field Inspection Techniques.
- Szpunar B. and Wallace W.
E., Lanthanide and Actinide Res.,1 (1986) 335-350, Unquenched Orbital
Angular Momentum and Magnetocrystalline
Anisotropy of YCo5.
- Szpunar B., Wallace W. E.,
Strange P., J. Less-Common Met. 123 (1986) 37-45, The Spin-Polarized
Electronic Structure Calculations for Nickel and Nickel Hydrides.
- Szpunar B., Physica B130 (1985),29-33, Density of States and
Magnetic Properties of YCo5 , Y2Co17.
- Szpunar B., Szpunar J., J.
Appl. Phys.57 (1985) 4130-4132, Applications of the Recursion Method
to Calculation of the Local Moments in Nd2Fe14B.
- Szpunar B. J. Mag. and Mag.
Mat. 49 (1985) 93-100, The Magnetic Properties of Surface Atoms of
Cobalt Particles.
- Szpunar J., Szpunar B., J.
Appl. Phys. 57 (1985) 4232-4234, Modeling of the Ferromagnetic
Hysteresis in Textured and Strained Steel.
- Szpunar J., Szpunar B., J.
Appl. Phys. 57 (1985) 4237-4237, Domains in Constructional Steel:
Theory and Experiment.
- Szpunar J. A. and Szpunar
B., J. Appl. Phys. 58 (1985) 4465-4467, Simple Model of the Magnetic
Interaction Between Grains in Construction Steel.
- Szpunar J. A. and Szpunar
B., IEEE Trans. on Mag. MAG-21 (1985) 2613-2619, Magnetic Domains in
Construction Steel.
- Szpunar B. and Dawber P. G., J. Non-Cryst.
Sol. 61&62 (1984) 1413-1418, A modified CPA Theory for Amorphous
and Crystalline Alloys for Constituents of Different Band Structure.
- Corner W. D., Szpunar B.,
Fort D., Jones D.W., J. Mag. and Mag. Mat. 42 (1984) 163-166, The
Temperature Dependence of Magnetization of Gd -
Tb Alloys.
- Paige D. M., Szpunar B. and
Tanner B. K., J. Mag. and Mag. Mat. 44 (1984) 239-248, The Magnetocrystalline Anisotropy of Cobalt.
- Szpunar B. and Szpunar J.,
IEEE Trans. on Mag. MAG-20 (1984),1882, Applications of a Mean Field
Theory to the Description of Changes in the Magnetic Properties of
Plastically Deformed Steel.
- Szpunar B. and Szpunar J.,
IEEE Tans. on Mag. MAG-20 (1984),1490, A Model for the Calculation of
the Magnetization in Textured Polycrystalline Materials with High Cubic Magnetocrystalline Anisotropy.
- Szpunar B., Szpunar J., J.
Mag. and Mag. Mat. 43 (1984) 317-326, Magnetic Properties of Textured
Fine Particle Magnets.
- Szpunar B., J. Phys. F12
(1982) 759-64, Application of the CPA and Continued Fraction Method to
Calculate the Density of States and Magnetic Moment in YCo5
Compounds.
- Szpunar B., J. Magn. Mat. 29 (1982) 147-150, Modified CPA Theory
as the Method for Calculation of the Density of States for Materials
Having Complex Crystal
Structures.
- Szpunar B., Acta Phys. Pol. A60 (1981) 783-789, The Influence
of Crystal Structure On the Electronic Structure for Tight Binding Bands.
- Szpunar B., Acta Phys. Pol. A60 (1981) 791-798, Magnetic
Anisotropy of SmCo5 - a Case of Strong J Mixing.
- Szpunar B., Acta Phys. Pol. A55 (1979) 791-794, Theoretical
Calculation of the Mean Magnetic Moment in Dy1-xFex,
Y1-xFex Intermetallic Compounds.
- Lingard P. A., Szpunar B.,
J. Magn. Mat. 7 (1978) 124-126, CPA
Calculations of Moments and Transition Temperatures of Rare Earth and Rare
Earth - Transition Metal alloys.
- Szpunar B., Kozarzewski B., Acta Phys.
Pol. A51 (1977) 125-130, On the Magnetization of Rare Earth -
Transition Metals Alloys.
- Szpunar B., Kozarzewski B., Phys. Stat. Sol. 82B (1977) 205-211, The
Applications of CPA to Calculations of the Mean Magnetic Moment in Gd1-xNix
, Gd1-xCox and Y1-xCox
Intermetallic Compounds.
- Szpunar B., Lindgard P. A., Phys. Stat. Sol. 82B (1977) 449-456, Theory
of Temperature Dependence of the Magnetization in Rare Earth - Transition
Metal alloys.
- Szpunar B., Krop K., Met. & Odl.
1(3) (1975) 315-325, The Relaxation Time of Superparamagnetic
Particles with Cubic Anisotropy in External Magnetic Field.
LETTERS.
- Szpunar B., Europh.
Lett., 18 (1992), 445-449, DOI: 10.1209/0295-5075/18/5/012, Electronic Structure
Calculations for C60 - FCC (Rb).
- Szpunar B., Phys. Lett.
A115 (1986), 157-160, A Method for the Calculation of the Orbital
Moments for Complex Crystal
Structures.
- Szpunar B., Strange P., J.
Phys. F15 (1985), L165-L169, On the Axial Ratio, Electronic Structure
and Magnetic Moment of Cobalt.
- Szpunar B., Phys. Lett.
102A (1984) 63-65, The Temperature Dependence of the Anisotropy
Constants for Nickel.
- Szpunar B., Lingard P. A.,
J. Phys. F9 (1979) L55-L59, http://iopscience.iop.org/0305-4608/9/3/003/pdf/0305-4608_9_3_003.pdf,
On the Origin of the Large Magnetic Anisotropy of Rare Earth - Cobalt
Compounds.
PUBLICATIONS
IN CONFERENCE PROCEEDINGS AND REPORTS.
- Szpunar B., in preparation: Monograph, Laser
Electron Scatter Photons at Light Sources; New Tools for Nuclear Waste
Management and Medical Isotope Research, eds. C. Rangacharyulu, S. Daté
and B. Szpunar, invited talk at Laser Electron Scatter Photons at
Light Sources for Nuclear & Allied Research Workshop, CLS, Saskatoon,
Canada, April 21-23rd (2010), Monte Carlo simulations of artificial transmutation for nuclear
waste management, medical isotope production and photo fission (Abstract).
- Szpunar B., Ranasinghe J.I.,
Szpunar J.A., Malakkal L., Proceedings of
the CNS’s 15th International Conference on CANDU Fuel, 2022, August 21-24, Ajax, Canada,
SMR, Canadian, T6-2, DIFFERENCES
BETWEEN ELECTRONIC PROPERTIES OF UN, THN, AND THC.
- Szpunar B., Szpunar J.A.,
14th International Conference on CANDU Fuel, “Powering a
Greener Future with Advanced Fuel Cycles”, Hilton Meadowvale, Mississauga,
Ontario, Canada 2019 July 21-24, Structural
Stability of SiC.
- Ranasinghe
J. I., Malakkal L., Szpunar B., Jossou E. and Szpunar J.A., 14th
International Conference on CANDU Fuel, “Powering a Greener Future with
Advanced Fuel Cycles”, Hilton Meadowvale, Mississauga, Ontario, Canada
2019 July 21-24, First Principles
Study on Thermal Conductivity of U3O8.
- Szpunar B., Szpunar J.A., 8th
International Conference on Simulation Methods in Nuclear Science and
Engineering, October 9-11, 2018, Ottawa, Canada, ENHANCED ACCIDENT TOLERANCE OF
THORIA-BASED NUCLEAR FUELS.
- Jossou
E., Dzade N., Szpunar B, Szpunar
J.A., 8th International Conference on Simulation Methods in
Nuclear Science and Engineering, October 9-11, 2018, Ottawa, Canada, Oxidation behaviour of U3Si2:
An Ab Initio Study.
- Ranasinghe J.I., Szpunar B.,Szpunar
J.A., 38th Annual Conference of the Canadian Nuclear Society,
Conference Proceedings, Saskatoon, Canada, June 3-6 (2018), FIRST PRINCIPLES STUDY ON GROUND STATE PROPERTIES OF UAL2.
- Malakkal L., Jossou E., Ranasinghe J.I., Szpunar B., Szpunar J.A., 38th
Annual Conference of the Canadian Nuclear Society, Conference Proceedings,
Saskatoon, Canada, June 3-6 (2018),
A density functional study of the
oxygen adsorption on the ThN {100}, {110} and
{111} surfaces.
- Szpunar B., Malakkal L., Rahman M.J., Jossou
E., Szpunar J.A., 38th Annual Conference of the Canadian
Nuclear Society, Conference Proceedings, Saskatoon, Canada, June 3-6 (2018), MECHANICAL PROPERTIES OF THORIA,
URANIA AND THEIR MIXTURE.
- Rahman M.J., Szpunar B. and
Szpunar J.A., 38th Annual Conference of the Canadian Nuclear
Society, Conference Proceedings, Saskatoon, Canada, June 3-6 (2018), THERMO-MECHANICAL PROPERTIES OF PuO2,
UO2 AND U0.5Pu0.5O2.
- Szpunar
B., Malakkal L., Chung
S., Nateen M., Jossou E. and Szpunar
J.A., Proceedings of the 2017 the International Conference on Composite
Material, Polymer Science and Engineering (CMPSE),
June 24-25, 2017, Toyama, Japan, MP145, MATEC Web of
Conferences"(ISSN Online: 2261-236X), Accident tolerant composite nuclear fuels (Best
Paper Award ).
- Ranasinghe
J., Szpunar B., Jossou E., Malakkal
L., and Szpunar J.A., Proceedings
of the 2017 25th International Conference on Nuclear
Engineering, ICONE25, July 2-6, 2017, Shanghai, China, Composite Versus Dispersed Accident
Tolerant Nuclear Fuels.
- Szpunar B., Malakkal L., Jossou E.,
Szpunar J.A., Materials for Nuclear Energy Proceedings of 2017 TMS Annual
Meeting & Exhibition, San Diego February 26 – March 2, 2017, Springer, ISBN 978-3-319-51647-9, DOI
10.1007/978-3-319-52333-0, Part XIV Materials for Nuclear Energy:
Accident Tolerant Fuels & Irradiation Effects, 367-376, First Principles Investigations of
Alternative Nuclear Fuels.
- Malakkal
L., Szpunar B., Szpunar J.A., Materials for Nuclear Energy Proceedings of
2017 TMS Annual Meeting &
Exhibition, San Diego February 26 – March 2, 2017, Springer, ISBN
978-3-319-51647-9, DOI 10.1007/978-3-319-52333-0, Part XIV
Materials for Nuclear Energy: Accident Tolerant Fuels & Irradiation
Effects, 377-386, Comparative Study of Thermal
Conductivity of SiC and BeO
from Ab Initio Calculations (already 400 reads achieved on May 28, 2017).
- Szpunar B., Malakkal L., Jossou E., Oladimeji D., RanasingheJ., Rossland I. and Szpunar J.A., 13th
International Conference on CANDU Fuel, Conference Proceedings, Kingston,
August 15-18 (2016), First Principles Studies of Thermal Conductivity of
Nuclear Fuel Materials.
- Szpunar B. and Szpunar
J.A., 36th Annual Conference of the Canadian Nuclear Society,
Conference Proceedings, Toronto, Canada, W3B, June 19-22 (2016), First Principles Molecular Dynamics
Studies of Oxygen Sub-Lattice Melting in Thoria.
- Chauhan A., Szpunar J.A.,
Szpunar B., Saini V.K., Chicoine M., Griffiths
M., 3rd International Conference on Manufacturing Engineering
and Technology for Manufacturing Growth, August 1-2, 2015, in Vancouver,
Canada, ISBN 978-1-61275-074-3, IERI & PRESS, 178-181, Helium based degradation of Nickel Superalloys.
- Szpunar B., Malakkal L., Siripurapu R.,
Szpunar J., Zuniga J., 3rd International Conference on
Manufacturing Engineering and Technology for Manufacturing Growth, August
1-2, 2015, in Vancouver, Canada, ISBN 978-1-61275-074-3, IERI & PRESS,
165-169, Multi-scale Simulation of Thoria-SiC Composites.
- Malakkal
L., Szpunar B., Zuniga J., Siripurapu R.,
Szpunar J., 3rd World
Congress on Integrated Computational Materials Engineering, TMS, May 31st-June
4th, 2015, Colorado Springs, ISBN 978-1-119-13949-2, John Wiley
& Sons, Inc., Haboken, New Jersey, 155-162, An Interface to Quantum ESPRESSO.
- Szpunar B. and Szpunar
J.A., The 19th Pacific Basin Nuclear Conference, Vancouver,
August 24-28th, 2014, PBNC2014-124, Thoria Versus Urania Comparison.
- Szpunar B., The 1st
Annual International Conference on Physics & Chemistry, 22-25 July
2013, Athens, Greece, ATINER’S Conference Paper Series, No: PHY2013-0527,
ISSN 2241-2891, http://www.atiner.gr/papers/PHY2013-0527.pdf
, Multidisciplinary Reactor Safety
Studies: Application of First Principles Calculation.
- Szpunar B. and Szpunar
J.A., Proc. of the 8th Pacific Rim International Congress on
Advanced Materials and Processing, A. Materials for Energy, 65- 69, Ed. by
F. Marquis, TMS, Wiley, August 4-9, 2013, Waikoloa, Hi, First Principles Studies of Mechanical
Properties of Thoria.
- Kiran R., Szpunar J.A. and
Szpunar B., Proc. of the 8th Pacific Rim International Congress
on Advanced Materials and Processing, L. Modeling and Simulation of
Processes, Microstructures, and Behavior, 3119-3126, Ed. F. Marquis, TMS,
Wiley, August 4-9, 2013, Waikoloa, Hi, Molecular
Dynamics Study of Zirconium and Zirconium Hydride.
- Szpunar B. and Szpunar
J.A., Ki-Seob Sim, Proc. of the 24th
CANCAM Conference, Saskatoon, Canada, June 2-6, 2013, Application of Density Functional Theory in Assessing Elastic
Properties of Thoria
- Kiran R., Szpunar B. and
Szpunar J.A., Proc. of the 24th CANCAM Conference, Saskatoon,
Canada, June 2-6, 2013, Investigation
of Interfacial Cracking of Hydride in Zirconium.
- Szpunar B. The second FLUKA
advanced course and workshop, Triumf, Vancouver,
September 15-20, 2012, The workshop web-site (https://www.fluka.org/free_download/course/triumf2012/Workshop/Szpunar.pdf),
A Simple Estimate of Production of
Medical Isotopes by Photo-Neutro Reaction at the
Canadian Light Source.
- Szpunar B. and Szpunar
J.A., 33rd Annual Conference of the Canadian Nuclear Society,
Saskatoon, Canada, 2D/131, June 10-13 (2012), Properties of Recycled Fuels; Density Functional Theory Study.
- Szpunar B., Rangacharyulu C., Date' S. and Ejiri
H., 33rd Annual Conference of the Canadian Nuclear Society,
Saskatoon, Canada, 3A/138, June 10-13 (2012), A Simple Estimate of Production of Medical isotopes by
Photo-neutron Reaction at the Canadian Light Source.
- Szpunar B., Szpunar J.A.,
Oh D., 11th International Conference on CANDU Fuel,
Conference Proceedings, Niagara Falls, Canada,
October 17-20 (2010), T2, Structural
and Mechanical Properties of Urania Oxidized to U3O8.
- Szpunar B. and Szpunar
J.A., Proceedings of The 3rd International Conference on
Uranium, 40th Annual Hydrometallurgy Meeting, Uranium, Saskatoon, Canada, edited by E.K. Lam,
J.W. Rowson, E. Õzberk, August 15-18 (2010), 177-187, Theoretical Investigation of Structural
and Mechanical Properties of Uranium Oxides.
- Szpunar B. The first FLUKA
advanced course and workshop, Ericeira,
Portugal, October 4-8, 2010, The workshop web-site (https://www.fluka.org/free_download/course/portugal2010/Workshop/Szpunar.pdf)
Simulation of photon-nuclear
interaction in production of medical isotopes and transmutation of nuclear
waste.
- Szpunar B. and Rangacharyulu
C., The 4th Yamada Symposium on Advanced Photons and Science Evolution
2010, invited, The proceedings web page (http://www.yamadazaidan.jp/ys/apse2010)
with abstract and the PPT file, June 14-18, 2010, Osaka
Japan,
XV, The present and
perspectives of CLS and nuclear transmutation.
- Szpunar B. and Rangacharyulu
C., 31st Annual Conference of the Canadian Nuclear Society, Montreal, Canada, T16, May 24-27 (2010),
Photo Production of Isotopes for
Medical and Industrial Usages.
- Szpunar B. and Szpunar J.A.,The 30th Annual Conference of the
Canadian Nuclear Society, Calgary, Canada, T3, May 31 - June 3 (2009), The Crystal structure and Elastic
Properties of Pure and Dy Doped Urania.
- Szpunar B. and Szpunar J.A.,The 30th Annual Conference of the
Canadian Nuclear Society, Calgary, Alberta, Canada, T3, May 31 - June 3
(2009), Onset of the
Local Magnetic Moment on Nb in Zirconia.
- Szpunar B., Dickson R.S.,
10th International Conference on CANDU Fuel, Conference Proceedings,
Ottawa, October 5-8 (2008), Fuel oxidation in steam-rich gas mixtures
- Szpunar B., Baskes M.I., J.A. Szpunar and Jochym
P.T., 9th Int. Conf. on CANDU fuel, Belleville, Ontario,(2005 September
18-21), Conference Proceedings, Atomistic simulations of Zr-O-H systems.
- Szpunar B., Szpunar J.A,
CNS 6th International Conference on Simulation Methods in Nuclear
Engineering, Montreal,
3C (2004 October 13-15), Conference Proceedings, The Crystal Structure
of pure and doped Urania.
- Szpunar B., Baskes M.I. and Jochym P.T.,
8th Int. Conf. on CANDU fuel, Delawana
Inn, Honey Harbour, Ontario,(2003 September 21-24), Conference
Proceedings, OXYGEN AND HYDROGEN DIFFUSION IN ZIRCONIA.
- Lewis B. J., Szpunar B. and
F. C. Iglesias, 7th International Conference on CANDU Fuel,
2001 September 23-27, Kingston, Ontario, Canada, Conference Proceedings
vol. 1, 311-328, Fuel Oxidation and Thermal Conductivity Model for
Operating Defective Fuel Rods.
- Szpunar B., Lewis B. J., Arimescu V. I., Dickson R. S., Dickson L. W. and M. I.
Baskes, 7th International Conference on CANDU
Fuel, 2001 September 23-27, Kingston, Ontario, Canada, Conference
Proceedings vol. 1, 329-352, Multi-Component Gas Transport in Candu Fuel Rods During Severe Accidents.
- Lewis B. J., Szpunar B.,
Seminar on Fission Gas Behaviour in Water Reactor Fuels, Cadarache, France, September 26-29, 2000 (invited), Modelling
of Fuel Oxidation Behaviour in Operating Defective Fuel Rods.
- Szpunar B., Aus M. J., Renaud E., Erb
U., Czerwinski F. and Szpunar J. A., Montreal, August 9-13, 1999,
Proceedings of the Twelfth International Conference on Textures of
Materials, ICOTOM-12, 560-567. Modelling Texture Influence on The
Magnetic Properties of Nanocrystalline Nickel
and Iron.
- Erb
U., Palumbo G., Szpunar B. and Aust K. T., Third
International Conference on Nanostructured Materials, Kona, Hawaii, July
8-12, 1996, E-2.- Electrodeposited vs. Compacted Nanocrystals:
Differences and Similarities.
- Czerwinski F., Foucard C., Szpunar J. A, Aust
M., Szpunar B., Cheung C. and Erb U., Third
International Conference on Nanostructured Materials, Kona, Hawaii, July
8-12, 1996, E-2.- Application of Atomic Force Microscopy for
Morphological and Magnetic Characterization of Nanocrystalline
Ni-Fe Electrodeposits.
- Turi
Maria-Lynn, Zugic R., Szpunar B., Erb
U., Palumbo G. and Krstic V., Mat. Res. Soc. Symp.
Proc., Boston,
November 29 - December 3, 1994, L9.10, v. 364 (1995) 737 - Atomistic
Simulation of Grain Boundaries of the Twin Limited Structure in Ni3Al.
- Szpunar B., Zugic R., Erb U. and Lewis
L. J., 33rd Annual Conference of Metallurgist, Toronto, August 20 to 25,
1994, Special issue of the Canad. Metall. Quarteerly, 1995, 94, 281. - Modelling the
Influence of the Structural and Compositional Disorder on the Magnetic
Properties of Grain Boundaries.
- Szpunar B., Erb U., Lewis L. J., Aust K.
T., Palumbo G., Mat. Res. Soc. Symp. Proc., Boston, November 29
- December 3, 1993, Ca10.5. v. 318, 477 - The Influence of Grain
Boundary Structural Disorder on the Magnetic Properties of Nanocrystalline Nickel.
- Aus
M.J., Szpunar B., Erb U.
, J., Aust K. T. and Palumbo G., Mat. Res. Soc. Symp. Proc., Boston,
November 29 - December 3, 1993, Ca1.8 v. 318, 39 - Electrical,
Magnetic and Mechanical Properties of Nanocrystalline
Nickel.
- EL-Sherik
A. M. , Erb
U., Krstic V., Szpunar B., Aus
M. J,, Palumbo G. and Aust K. T., Mat. Res. Soc.
Symp. Proc., Nanophase
and Nanocomposite Materials, Boston, 1-3 December, 1992, 286, 173-178, Effect
of Porosity on Properties of Nanocrystalline
Materials.
- Szpunar B., Smith V. H.,
Jr. and Hamada N., The Univ. of Miami Workshop, January 3-9 (1991)
High-Temperature Superconductivity, Ed. by J. Ashkenazi et al., Plenum
Press, New York, 1991, p. 591-596. Self - Energy Corrections for NiO.
- Szpunar B. and Smith V. H.,
Jr., Port. Physica, 19 (1988) 225-228. The
Influence of Inequivalent Cobalt Sites on the Spin and Orbital Magnetic
Moments in YCo5.
- Szpunar B. and Smith V. H.,
Jr., Port. Physica, 19 (1988) 229-232, Electronic
and Magnetic Structure of Superconducting Copper Oxides.
- Szpunar B. and Smith V. H.
Jr., Sagamore IX Conference on Charge, Spin and
Momentum Densities, 26June-2 July 1988, The Influence of Inequivalent
Cobalt Sites on the Spin and Orbital Magnetic Moments in YCo5 .
- Szpunar B. and Smith V. H.
Jr., Sagamore IX Conference on Charge, Spin and
Momentum Densities, 26June-2 July 1988, Antiferromagnetism
in Semiconductors Related to High Transition Temperature Superconducting
Copper Oxides.
- Szpunar B. and Smith V. H.,
Jr., Proceedings of Supercomputing Symposium 88, 19-21 June 1988,117-126. The
Use of Supercomputers for the Study of Magnetism in High Tc
Superconductors.
- Atherton D. L., Szpunar B.,
Sullivan S.,Proceedings of Workshop on
Electromagnetic Field Computation, Schenectady, October 20-21, V.1 (1987)
D31-D35, Finite Element Calculations for the Remote Field Through Wall
Eddy Current Inspection Tool for Nuclear Pressure Tubes.
- Atherton D. L., Szpunar J.
A. and Szpunar B., Proceedings of the Second International Symposium on Nondestructive Characterization of Materials,
Montreal, July 21-23 (1986), Plenum Press, New York (1987) 585-593. Magnetization
and Stress Effects in Steel.
- Szpunar B., Szpunar J.,
Proceedings of the Seventh Conference on Texture of Materials,ICOTOM-7
(1984), Noodwijkerhout, The Netherlands,
Published by Netherlands Society for Materials Science, edited by C.M. Brakman, P. Jongerburger and
E.J. Mittemeijer,707-713, The Influence of Texture and Particle Shape
Distribution on the Magnetic Properties of Alnico Alloys.
- Szpunar J., Szpunar B.,
Proceedings of ICOTOM-7, (1984)ibid, 715-721, Application of a Mean
Field Model to the Describtion of Changes in the
Magnetic Properties in Various Directions of Textured Specimen of Steel.
- Szpunar J., Lambrick D. B., Hoon S. R.,
Paige D. M., Szpunar B., Proceedings of ICOTOM-7 (1984) ibid, 701-706, Magnetic
Properties of Textured Magnetic Fluids.
- Lindgard
P. A., Szpunar B., Inst. Phys. Conf. No.37, chapt
5 (1978) 141, CPA Calculation of Moments and Transition Temperatures
of Rare Earth - Transition Metal Alloys.
- Szpunar B., Lindgard P. A., Riso Report
No.350 (1976) pp 34, CPA Theory of the Magnetization in Rare Earth -
Transition Metals Alloys.
- Kajzar
F., Szpunar B., Report of Institute
of Physics and Nuclear Techniques
87/PS (1975) pp 26, Application of the Monte
Carlo Method to the Calculations of Superexchange
Integrals.
- Szpunar B., Report of Institut of Physics 901 (1975) 15, The CPA Calcultions of the Magnetization in the Transition
Metals - Rare Earth Metals Alloys.
ABSTRACTS IN CONFERENCE PROCEEDINGS
- Szpunar B., Ranasinghe J.I.,
Szpunar J.A., Proceedings of 2023 TMS Annual Meeting &
Exhibition, San Diego, March 19-23 (2023), Symposium: Ceramic Materials
for Nuclear Energy Research and Applications, Comparison
of the electronic transport of UN and ThN versus
ThC.
- Szpunar B., Ranasinghe
J.I., Szpunar J.A., Malakkal L., The CNS’s 15th International Conference
on CANDU Fuel, 2022, August 21-24, Ajax, SMR, Canadian, T6-2, DIFFERENCES BETWEEN ELECTRONIC PROPERTIES OF UN, THN, AND THC.
- Ranasinghe
J.I., Malakkal
L., Szpunar B., Szpunar J.A., The CNS’s 15th International Conference on
CANDU Fuel, 2022, August 21-24, Ajax, Fuel Modeling 2, T9-2, Thermal properties of U3O8
and U3O8-Mo: an experimental and first-principles
investigation.
·
Szpunar B., The International Chemical Congress
of Pacific Basin Societies, Honolulu,
2021, December 16-21, Frontiers in Actinide Chemistry: From
Fundamental Systems to Practical Applications, ThN versus ThC comparison.
·
Szpunar B., EPW Virtual Summer School 2021, June
14-18, First principles investigation of
thermal transport of uranium mononitride.
- Szpunar B., Ranasinghe J.I., Malakkal
L., Szpunar J.A., 2020, The Nuclear
Materials Conference 26-30 October 2020 , Online Event, First principles investigation of
thermal transport of uranium mononitride.
- Szpunar B., Malakkal L., Ranasinghe
J.I., Szpunar J.A., 2020 TMS Annual
Meeting & Exhibition, San Diego, February 25 (2020), Symposium:
Thermal Transport in Crystalline and Non-crystalline Solids: Theory and
Experiments, Session: Electron Mediated Transport and Thermoelectrics, Investigations of the thermal conductivity of UN.
- Szpunar B., Szpunar J.A.,
PRISM, Int. Conf. on Materials Science and Engineering, September
16-18, 2019. Pullman Melbourne Albert Park, Australia, CONNECTING WOMEN IN
MATERIALS SCIENCE THROUGH MATERIALS OCEANIA CONFERENCE, COMPARISON OF STRUCTURAL STABILITY OF
β SILCON CARBIDE AND THORIA.
- Malakkal L., Prasad A, Ranasinghe
J., Jossou E., Szpunar B., Bichler
L.,Szpunar J., Future with Advanced Fuel
Cycles”, Hilton Meadowvale, Mississauga, Ontario, Canada 2019 July 21-24, The Microstructure and Thermal
Conductivity of Spark Plasma Sintered ThO2.
- Szpunar B.,
Szpunar J.A., APE’19: International Conference on Innovative Applied
Energy, Oxford, UK, March 14-15, 2019, Application
of State-of-the-Art Calculations in Design of Accident Tolerant Fuel for
Safe Nuclear Energy.
- Szpunar B.,
Szpunar J.A., 2018-Sustainable Industrial Processing Summit
&Exhibition, 4th Intl. Symposium on New and Advanced Materials and
Technologies in Energy, Environment and Sustainable Development, 4-7 Nov.,
2018, Rio de Janeiro, Brazil, Application
of State-of-the-Art Calculations in Design of Accident Tolerant Nuclear Materials.
- Ranasinghe J.I.,
Szpunar B., Malakkal L., and Szpunar J.A., Women
in Nuclear, 15th Annual Conference, September 26th
-28th, Saskatoon 2018, A
study on the enhanced thermal conductivity of aluminum dispersed fuel U3O8.
- Ranasinghe J.I., Jossou E., Malakkal L.,
Szpunar B., and Szpunar J.A., 8th
International Conference on Simulation Methods in Nuclear Science and
Engineering, October 9-11, 2018, Ottawa, Canada, Density functional theory study on defects and fission products in
U3O8.
- Malakkal L., Szpunar B.,
Jossou E., Ranasinghe
J.I., Szpunar J.A., 8th International Conference on Simulation
Methods in Nuclear Science and Engineering, October 9-11, 2018, Ottawa,
Canada, DFT calculation of thermal
conductivity and mean free path of ThO2.
- Rahman M.J.,
Szpunar B. and Szpunar J., 8th International Conference on
Simulation Methods in Nuclear Science and Engineering, October 9-11, 2018,
Ottawa, Canada, Comparison of
cascade damage in pure and mixed oxide fuel.
- Malakkal L., Ranasinghe J.I., Jossou E., Szpunar B., Szpunar J.A., Poster
presentation at the school on electron-phonon physics from first
principles held at ICTP-Trieste, Italy 19-23 March 2018, First principles evaluation of thermal
conductivity of UN and ThN.
- Szpunar B.,
APE’19: International Conference on Innovative Applied Energy, Oxford, UK,
March 14-15, 2019, Application of
State-of-the-Art Calculations in Design of Accident Tolerant Fuel for Safe
Nuclear Energy (keynote).
- Szpunar B.,
2018-Sustainable Industrial Processing Summit &Exhibition, 4th Intl.
Symposium on New and Advanced Materials and Technologies in Energy,
Environment and Sustainable Development, 4-7 Nov., 2018, Rio de Janeiro,
Brazil, Application of
State-of-the-Art Calculations in Design of Accident Tolerant Nuclear
Materials (keynote).
- Jossou E., Dzade N.,
Eduok, U., Szpunar B, Szpunar J.A.,
38th Annual Conference of the Canadian Nuclear Society,
Conference Proceedings, Saskatoon, Canada, June 3-6 (2018), OXIDATION BEHAVIOR OF U3Si2
IN OXYGENATED ENVIRONMENT: AN AB
INITIO STUDY
- Szpunar B.
and Szpunar J.A., EMN Workshop on
Density Functional Theory and its Applications, Dubai, 6-10 November, 2017, Application of Density Functional
Theory in designing accident tolerant nuclear fuels (invited).
- Jossou E., Malakkal L.,
Szpunar B., Oladimeji D., Szpunar J.A.,
Materials for Nuclear Energy Proceedings of 2017 TMS
Annual Meeting & Exhibition, San Diego February 26 – March 2, 2017, A first principles study of the electronic
structure, elastic and thermal properties of UB2.
- Ranasinghe J.I., Jossou
E.E., Szpunar B., Szpunar J.A., Boer T., Tolhurst
T. and Moewes A., Ab-initio study on α-U3O8.
, Women in Physics, Canada 2016 Conference, Saskatoon, July 27-29, 2016, poster
33.
- Malakkal L., Szpunar B., Zuniga J., Siripurapu R.K., Jochym P.,
Szpunar J.A., Proceedings of the 8th International Conference
on Materials for Advanced Technologies, Singapore, 28 June - 3 July 2015, First Principle calculation of
thermo-mechanical properties of Thoria using
Quantum Espresso.
- Szpunar B. and Szpunar J.A., The 2015 International Chemical
Congress of Pacific Basin Societies (Pacifichem),
Honolulu, Hawaii, USA, December 15-20 (2015) Conf. Proc., Symposium on
Experimental and Theoretical Actinide Chemistry: From Fundamental Systems
to Practical Applications (#42) [4A], Theoretical
investigation of λ-type pre-melting transition in thoria.
- Szpunar B., Rangacharyulu C., S. Daté, H. Ejiri, The 2015 International Chemical
Congress of Pacific Basin Societies (Pacifichem),
Honolulu, Hawaii, USA, December 15-20 (2015) Conf. Proc., Symposium on
Isotope Production - Providing Important Materials for Research and
Applications (#363) [1A], Production
of medical isotopes by photo-neutron reaction.
- Szpunar B.,
, Malakkal L., Siripurapu
R., Zuniga C.K., Oladimeji D.,
Szpunar J.A., 14th International Conference
on Clean Energy 2015, September 27th – October 1st,
2015, Saskatoon, Canada, Safer
Nuclear Reactors with Enhanced Thermal Conductivity for Clean Energy.
- Szpunar B.,
Zuniga C., Malakkal L., Siripurapu
R. K., Szpunar J.A., Quantum Espresso Workshop, June 16-20, 2014, Penn
State University, University Park, http://sites.psu.edu/qe2014/detailed-program/, Quantum Espresso with ipython interface
for engineering students.
- Szpunar B.
and Szpunar J.A., Materials, Methods & Technologies, 16th
International Conference, 11–15 June 2014, Elenite
Holiday Village, Bulgaria, Thermal
conductivity in improvement of safety of nuclear fuel.
- Szpunar B.
and Szpunar J.A., The Nuclear Materials Conference, 27-30 October, 2014,
Clearwater Beach, Florida, Thermo-mechanical
properties of thoria: A density functional
studies, O8.19.
- Saini V.K.,
Szpunar B., Szpunar J.A., Griffiths M., 26th Canadian Materials
Science Conference, Saskatoon, June 1-4, 2014, Simulation of Helium and Hydrogen Production in Nuclear Materials.
- Siripurapu R.K., Szpunar B., Szpunar J.A., 26th
Canadian Materials Science Conference, Saskatoon, June 1-4, 2014, Diffusion and activation energy of
hydrogen in grain boundary of nickel.
- Malakkal L., Siripurapu
R.K., Szpunar B., Szpunar J.A., 26th Canadian Materials Science
Conference, Saskatoon, June 1-4, 2014, Review
of Thermo-mechanical Properties of SiC Using
First Principles Method.
- Szpunar B.
and Szpunar J.A., 26th Canadian Materials Science Conference,
Saskatoon, June 1-4, 2014, Evaluation
of High Temperature Properties of Thoria from
First Principles.
- Szpunar B.
and Szpunar J.A., The 19th Pacific Basin Nuclear Conference,
Vancouver, August 24-28th, 2014, Thoria Versus Urania Comparison.
- Sani V., Szpunar
B. and Szpunar J.A., Griffiths M., 26th Canadian Materials
Science Conference, Saskatoon, June 1-4, 2014, Simulation of the effect of neutron irradiation in nickel based
alloys.
- Szpunar B., Szpunar J.A., Second International Conference on
Advances in Nuclear Materials (ANM-2011) Mumbai, India, February 9-11
(2011) Conf. Proc. S4-A-IT-5, The Application of Density Functional
Theory in Assessing Properties of Thoria and
Recycled Fuels.
- Szpunar B. and Rangacharyulu C., S. Daté, H. Ejiri, Szpunar J.A., The 2010
International Chemical Congress of Pacific Basin Societies (Pacifichem), Honolulu, Hawaii, USA, December 15-20
(2010) Conf. Proc., Symposium on Actinides and the Environment: A
Multidisciplinary Look at What We Know and What We Need to Know (#38) [4E],
Alternative solution for treatment
of long-lived radioactive isotopes in nuclear waste.
- Rangacharyulu C. and Szpunar B., European Nuclear
Conference, Barcelona May 30th-June
2nd (2010) Conf. Proc. Fuel Cycle, ENC 2010-A0258, Artificial Transmutation of Radioactive Nuclei by Neutron and
Photon Absorptions.
- Szpunar B. and Lewis B. J., Gordon Conference,
Physical Metallurgy, Processing for Control of Microstructure Evolution
and Performance: Modeling, Simulation, and Verification, July 23-28 (2000)
Conf. Proc., Mapping, Monte Carlo
Simulation of Solidification Processes in the Presence of Gas Bubbles.
- Szpunar B., Erb U.,
Lewis L. J., Swainson I., APS March Meeting, Los
Angeles, 16-20 March (1998) X23.05, Hydrogen diffusion in nanocrystalline nickel.
- Szpunar B., Erb U.,
Lewis L. J., APS March Meeting, St. Louis, 18-22 March (1996) Q22 2, Modelling
of the Magnetic and Elastic Properties of Nanocrystals.
- Aus M., Szpunar B.,
Cheung C., Erb U., Li F., Czerwinski F., Foucard C., Szpunar J. A., APS March Meeting, St.
Louis, 18-22 March (1996) Q22 3, Magnetic Properties of Nanocrystalline Metals.
- Szpunar B. and Erb U.,
IV International Conference on Advanced Materials, Cancun, August 27th -
September 1st (1995) S15-P2.3, Modelling of Physical Properties of
Fully Dense Nanocrystalline Materials.
- Szpunar
B., Mat. Res. Soc. Symp.
Proc., Boston, November 29 - December 3 (1993) G3.1, Periodic boundary
cluster calculations for various C60(Rb)
Structures.
- Szpunar B., Erb U.,
Lewis L. J., Aust K. T., Palumbo G., APS
Meeting, Seatle, 21-25 June (1993) 5th Canadian
Materials Science Conference, P24, The Influence of the Structural
Disorder on the Magnetic Properties of Nickel.
- Szpunar B., Erb U.,
Lewis L. J., Aust K. T., Palumbo G., APS
Meeting, Seatle, March 22-26 (1993), Bull. Am.
Phys. Soc. , A28 3, The Influence of the Structural Disorder on the
Magnetic Properties of Nickel.
- Szpunar B., Mei C.-J. and Smith V. H., Jr., APS
Meeting, Cincinnati, March 18-22 (1991), Bull. Am. Phys. Soc. , A23 1, The
Role of p and d Electrons in the New Materials Related to High Temperature
Superconductors.
- Szpunar B. and Smith V.H. Jr., American Chemical
Society Combined Regional Meeting, New Orleans, December 5-7 (1990), 509, Electronic
and Magnetic Structure of High Temperature Superconductors.
- Szpunar B. and Smith V.H. Jr., Second Canadian
Materials Science Conference, Kingston, June 19-22 (1990), What Can We
Learn about High Tc Superconductors from Band Structure
Calculations?
- Szpunar B. and Smith V.H. Jr., 3rd Canadian Conference
on High Temperature Superconductivity, Montreal, May 4-5 (1990), PD3, Beyond
the Local Spin Density (LSD) Functional Method for High Temperature
Superconductors and Transition Metal Oxides.
- Szpunar B., and Smith V. H., Jr., APS Meeting,
Anaheim, CA, March 12-16 (1990), Bull. Am. Phys. Soc. v. 35, I15 5 p. 478,
Self-Energy and Gradient Corrections for Mott Insulators.
- Szpunar B. and Smith V. H., Jr., First Canadian
Materials Science Conference, Kingston, June 21-23 (1989) S4-24, Theoretical
Studies of the High T Superconductor, Bi4Sr4Ca2-xYxCu4O16
, with and without Directional Stress.
- Szpunar B., and Smith V. H., Jr., APS Meeting,
St. Louis, March 20-24 (1989), Bull. Am. Phys. Soc. v.34, p.425, A204, Exploratory
studies of Bi4Sr4Ca2-xYxCu4O16.
- Szpunar B. and Smith V. H. Jr.,1988 Joint CAP/APS
Congress, Universite' de Montre'al,
June 20-22 (1988) Magnetic Instabilities and Their Implication for
High Tc Superconductors.
- Szpunar B. and Smith V. H. Jr., Second Canadian
Symposium on High Temperature Superconductivity, Vancouver, 26-29th
October (1988) I5, Electronic and Magnetic Interactions in High Tc
Superconductors.
- Szpunar B. and Smith V. H. Jr., Second Canadian
Symposium on High Temperature Superconductivity, Vancouver, 26-29th
October (1988) F1, Cluster Modelling of Superconducting Copper Oxides.
- Szpunar B., and Smith V. H., Jr., APS Meeting,
New Orlean March 21-25 (1988) Bull. Am. Phys.
Soc. v.33, p.608, M710, Spin Polarised Electronic Structure
Calculations for YBa2Cu3O6.
- Szpunar B., and Smith V. H., Jr. and Smith R.W.,
38th Canadian Metal Physics Conference 8th-10th June (1988), Itinerant
Antiferromagnetism in Semiconductors Related to
High Tc Superconductors.
- Szpunar B., and Smith V. H., Jr. and Smith R.W.,
Canadian Research in High Temperature Superconductivty,
October 30&31 (1987) C16, LMTO-ASA Self - consistent Spin
Polarized Electronic Structure Calculations for YBa2Cu3O6.
- Szpunar B., and Smith V. H., Jr., ibid, E3, Electronic
Properties and Magnetism in High Tc Superconductors.
- Szpunar B., Strange P., Wallace W.E., Canadian
Metal Physics Conference, June 3-5 (1987) Heat of formation and
magnetism of transition metal hydrides.
- Szpunar B. and Smith V. H., Jr., International
Symposium on Magnetism of Intermetallic Compounds, Kyoto, Japan, April
20-22 (1987) The Influence of Local Atoms on the Local Magnetic Moment
in YCo5.
- Szpunar B., and Smith V. H., Jr., TMS Fall
Meeting, Orlando, Florida, October 5-6 (1986) Conf. Proc., The
Influence of Local Atoms on the Local Magnetic Moment in YCo5.
CONTRIBUTIONS
TO REVIEW ARTICLES.
- Szpunar B., Erb U. Aust K. T., Palumbo
G., Lewis L. J., in f - Hybridization Effects on Electronic Structure,
(1996), ed. by L. De Long and S. Malik, Magnetism of Advanced
Materials.
- Szpunar B., invited lecture
at The Internationat School of Magnetism, Bialowieza, 21-30 June (1992), Acta
Phys. Pol. A84 (1993) 21-42, Magnetism within the Limitations of the
LDA Band Structure Calculations.
- Szpunar B. and Smith V.H.
Jr., in Studies of High Temperature Superconductors, ed. by A. V. Narlikar, Nova Science Publishers, Inc., vol.7 (1991)
pp 398., Electronic and Magnetic Structure of High Tc Cuprates and Nickelates.
- Szpunar B. and Smith V.H.
Jr., J. Solid
State Chem. ( J. M. Honig Issue) 88 (1990) 217-228, Calculations of
Orbital Moments in Solids.
- Szpunar B., A Caltech White Paper on Supercomputer
Applications, C3P-872, Numerical Studies in High
Temperature Superconductivity: Band Structure Calculations.
APPENDIX
PROTECTED-Proprietary
technical documents that can be released by Access to Information and Privacy
Coordinator, Atomic Energy of Canada Limited
- Szpunar B., AECL Report,
153-113870-440-004, D1 (2008), FOXSIMF 3.6.2 -Application Document.
- Szpunar B., Corbett B.J., AECL
Report, 153-113870-440-003, D1 (2008), FOXSIMF 3.6.2 -Development
Document.
- Szpunar B., AECL Report,
153-113870-440-002, D2 (2008), FOXSIMF 3.2 - Upgraded FORTRAN
Translation of FOXSIM-2: Theory Addendum.
- Szpunar B., AECL Report,
153-113870-PLA-001 (2008, January), Software Qualification Plan:
FOXSIMF 2.
- Gao F., Szpunar B., AECL
Memo, 10820-03560-225-000 (2007, November 23), An approach to
Calculate the Stoichiometry Deviation during Transient for ACR-1000
Application.
- Szpunar B., AECL Memo,
153-113870-021-000 / F&FCSB-07-081 (2007, Dec. 6), Guidance on
Testing of FOXSIMF 3.6.2a (Fuel Oxidation Code).
- Szpunar B., AECL Memo,
153-113870-021-000 / F&FCSB-07-035 (2007 November), Modifications
in FOXSIMF 3.6.1 Code.
- Szpunar B., AECL Memo,
CTD-117900-021-000 / F&FCSB-07-020 (2007, Dec. 5), THE CRYSTAL
STRUCTURE AND BINDING ENERGIES OF DOPED (Gd, Dy) URANIA AND ZIRCONIA.
- Szpunar B., AECL Memo,
CTD-117900-021-000 / F&FCSB-07-032 (2007, Dec. 5), Revised, The
Mean Grain Size and Equivalent Sphere Model used in SOURCE and ELESTRES.
- Szpunar B., AECL Memo,
153-113870-021-000, F&FCSB-07-011 (2007 February), FOXSIMF 3.6
USER MANUAL.
- Szpunar B., AECL Report,
153-113870-440-001 (2007 February), FOXSIMF 3.2 - Upgraded FORTRAN
Translation of FOXSIM-2.
- Szpunar B., AECL Memo,
153-113870-021-000, F&FCSB-07-017 (2007 February), MODIFICATIONS
IN FOXSIMF 3.2 AND FOXSIMF 3.6 CODES.
- Szpunar B., AECL Memo,
153-117900-401-000, F&FCSB-06-052 (2007 January), Comments and
Erratum on SOURCE IST 2.0P10 GBI3 DL5 Validation Exercise.
- Szpunar B., AECL Memo,
153-113870-401-000, F&FCSB-06-080 (2006 September), Re: Comments
on Equilibrium Stoichiometry Deviation and Gas Composition Calculations.
- Szpunar B., B. Pruszkowski, AECL Letter to B.J. Lewis, RMC,
153-113870-401-000, F&FCSB-06-071 (2006 August), Comments on
Equilibrium Stoichiometry Deviation and Gas Composition Calculations.
- Szpunar B., AECL Technical
Note, 153-117900-UM, D1 (2007 November), EXACT_BEH2006 (EXACT_H2006)
Program Document (Part I).
- Szpunar B., AECL Report,
153-113870-470-001, Rev. 0 (2006 June), FOXSIMF-2 - FORTRAN
Translation of FOXSIM-2.
- Szpunar B., AECL Report,
153-117900-SVR-003 (2006 June), SOURCE IST 2.0 P10: Test GBI3 DL5
Validation Exercise Report.
- Szpunar B., Corbett B.J.,
AECL Memo, 153-117900-021-000 / F&FCSB-06-026 (2006 March 31), Comments
On Information Transfer From ELESTRES/ELOCA Codes to SOURCE Code for
BTF-104 Validation Exercise
- Huang F., Sim Ki-Seob, Girma C., Szpunar B.,
AECL Report, ACR 108-113370-225-013, Rev. 0 (2006 March), ELESTRES 2.0:
Validation Exercise Report for Fission Product Release and Element
Internal Gas Pressure.
- Szpunar B., Barber D.H.,
Dickson R.S., AECL Memo, 153-117900-021-000 / F&FCSB-06-002 (2006
January 9), SOURCE IST 2.0 Training Course.
- Szpunar B., AECL Memo, 153-117900-021-000
/ F&FCSB-05-108 (2005 November 30), Fuel Oxidation in Steam and
Air for ACR Safety Analysis: Upgraded FOXSIMF 3.
- Szpunar B., Barber D.H.,
AECL Memo, 153-117900-401-000 / F&FCSB-05-099 (2005 November 15), Radial
Discretization and Information Transfer From ELESTRES/ELOCA Codes to
SOURCE Code.
- Oh D., Zariffeh
E.K., Dickson R., Szpunar B., ACR 108-117210-225-006, Rev. 0 (2005
November), REDOU 2.0: Validation Plan.
- Szpunar B., AECL Memo,
CTD-117900-021-000 / F&FCSB-05-074 (2005 July 28), Upgrade of
FOXSIM.
- Szpunar B., AECL Memo,
CTD-117900-021-000 / F&FCSB-05-068 (2005 July 22), The Mean Grain
Size and Equivalent Sphere Model.
- Szpunar B., Dickson R.S.,
AECL Memo, CTD-117210-021-000 / F&FCSB-05-062 (2005 June 17), The
Validation of REDOU 2.0: Validation Data.
- Szpunar B., AECL Memo,
F&FCSB-05-038, (2005 April 21), Preliminary Comparison of FOXSIM,
Brito and REDOU Fuel Oxidation Models.
- Verrall
R.A., Szpunar B., Zariffeh E.K.,
LVRF-37100-CVR-002 (2005, August), Thermal Properties of (U,Dy)O2.
- Corbett B.J., Lemire R.J., Szpunar B., AECL Memo,
CTD-117900-021-000/F&FCSB-05-036, (2005 April 12), Review of
SOURCE IST 2.0 Input Files for MCE2 TM03 Validation Exercise.
- Szpunar B., Lemire, COG OTHER PRODUCT, OP-04-2105,(2005, March), SOURCE
IST 2.0b10: Test VERCORS 04 Validation Exercise Report.
- Ball J.M., Szpunar B., COG
Technical Note, TN-04-2026, (2004 February), Assessment of the Legacy
Models in SMART for Iodine Washout and Radionuclide Decay.
- Szpunar B., L.W. Dickson,
AECL Report, 153-117900-440-002, Rev. 0 (2004, November), Fuel Oxidation_Reduction Simulations: Problem Definition,
Development Plan and Requirements Specification.
- Szpunar B., Szpunar J.A,
153-117900-CONF-001, CNS 6th International Conference on Simulation
Methods in Nuclear Engineering, Montreal, (2004 October 13-15), The
Crystal Structure of pure and doped Urania.
- Lemire
R.J., Yatabe S., Szpunar B., AECL Report,
153-117900-VR-001, Rev. 0 (2004, July), AECL Validation Results for
the SOURCE IST 2.0 Validation Manual.
- Szpunar B., AECL Memo,
F&FCSB-05-002, (2005 January 10), SMART - Preliminary Verification
of Decay and Buildup.
- Corbett B.J., Lemire R.J., Szpunar B., AECL Memo, F&FCSB-04-150,
(2004 December 15), Review of SOURCE IST 2.0 Input Files for MCE2 TM03
Validation Exercise.
- Szpunar B., AECL Memo,
F&FCSB-04-098, (2004 July 6), Review of a paper.
- Szpunar B., AECL Report
RC-2695, Revision 1, (2004 May), SOURCE IST 2.0: Test VERCORS 04
Validation Exercise Report.
- Szpunar B., Dickson L.W.,
AECL Report ACR 108-117900-440-004 Revision 0 / RC-2691, Revision 1, (2003
April), SOURCE IST 2.0: Test HCE3 H03 Validation Exercise Report.
- Szpunar B., Lemire R.J. AECL Report ACR 108-117900-440-002
Revision 0 / RC-2696, Revision 1, (2003 April), SOURCE IST 2.0: Test
VERCORS 05 Validation Exercise Report.
- Colins
K.D., Szpunar B., Lemire R.J., AECL Technical
Note, RSA-117900-225-004/F&FCSB-TN-075, (2004 April), Results of
Additional Chemical Thermodynamic (FactSage)
Calculations for Preparation of SOURCE IST 2.0 Lookup Tables.
- Szpunar B., AECL Technical
Note, F&FCSB-TN-072,(2004 April), LEFACT Program Document.
- Szpunar B., AECL Technical
Note F&FCSB-TN-058, (2004 March), SOURCE IST 2.0: Software Design
Description of Program SOURCEMAIN.
- Szpunar B., AECL Report,
RSA-117900-SVR-001, (2004 March), Module Verification for SOURCE IST
2.0: Fission Product Vaporization Module.
- Szpunar B., AECL Technical
Note F&FCSB-TN-059, (2004 January), Module Verification for SOURCE
IST 2.0: MAIN, DIFFUSION, PHASE-CHANGE and ISOTOPE.RDS.
- Szpunar B., Fuel and Fuel
Channel Safety Branch memorandum, F&FCSB-04-012, (2004 January), Verification
of the fsedep0 perl program.
- Lemire
R.J., Colins K., Szpunar B., Caswell D.J., AECL
Technical Note, F&FCSB-TN-074, (2004 March 17), Calculation of
Fission Product Releases from Fuel for Accidents in Air: An Appropriate
Fission Product Vaporization Model for SOURCE IST 2.0 and
Interim Changes to the b-8 Version.
- Szpunar B., AECL Technical
Note, F&FCSB-TN-067 (2003 December 2), Correlations for thermal
Properties of (U,Dy)O2 Fuel.
- Lemire
R.J., Colins K., Szpunar B., Caswell D.J., Fuel
and Fuel Channel Safety Branch memorandum, F&FCSB-03-102, (2003
October 23), Calculation of Fission Product Releases from Fuel for
Accidents in Air.
- Szpunar B., Fuel and Fuel
Channel Safety Branch memorandum, F&FCSB-03-109, (2003 October 23), Verification
of the SRCVipp Version 0.2 Post-Processor.
- Szpunar B., Fuel and Fuel
Channel Safety Branch memorandum, F&FCSB-03-105, (2003 October 22), Verification
of the pp_air_mon_el_perl .
- Szpunar B., Fuel and Fuel
Channel Safety Branch memorandum, F&FCSB-03-104, (2003 October 22), Verification
of fscale_scale_air_0.c++.
- Szpunar B., Baskes M.I. and Jochym P.T.
,AECL-CONF-1363, 8th Int. Conf. on CANDU fuel, Delawana
Inn, Honey Harbour, Ontario,(2003 September 21-24), OXYGEN AND
HYDROGEN DIFFUSION IN ZIRCONIA.
- Szpunar B., Fuel and Fuel
Channel Safety Branch memorandum, F&FCSB-03-031, (2003 July 11), Comments
on VERCORS 04/05 SOURCE IST 2.0 Validation Exercise.
- Lemire
R.J., Caswell D.J., Colins K., Szpunar B., AECL
Technical Note F&FCSB-TN-059, (2003 June 30), Proposed Limiting
Temperatures for Elements in the Fuel-Surface Bin of
SOURCE IST 2.0.
- Szpunar B., Fuel and Fuel
Channel Safety Branch memorandum, F&FCSB-03-068, (2003 June 26), Verification
of the SRCVipp Version 0.1 Post-Processor.
- Szpunar B., AECL Memo Note
F&FCSB-03-087, (2003 September 29), Importance of Surface
Roughness and Cracks in Gas Releases in SOURCE IST 2.0 Code Simulations.
- Szpunar B., AECL Memo Note
F&FCSB-031, (2003 April 4), Comments on VERCORS 04 SOURCE IST 2.0
Validation Exercise.
- Szpunar B., AECL Memo Note
F&FCSB-03-018, (2003 February 28), Quality Assurance in SOURCE IST
2.0 Validation Exercises.
- Szpunar B., Verral R., AECL Memo Note FSB-02-084, (2002), Summary
of Thermal Properties of (U, Dy)O2
Fuel.
- Szpunar B., COG Technical
Note F&FCSB-TN-02-2080, (2002), Thermal Properties of Urania as a
Function of Burnup and Stoichiometry.