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1. Full Text Effects of Zn on 〈c + a〉 slip and grain boundary segregation of Mg alloys
by Jang, Hyo-Sun and Lee, Byeong-Joo
Scripta Materialia, ISSN 1359-6462, 02/2019, Volume 160, pp. 39 - 43
Using atomistic simulations, we investigated the effects of Zn on Mg alloys to reveal the mechanism underlying the good ductility and strong basal texture of... 
c + a〉 slip | Molecular dynamics (MD) | Grain boundary segregation | Magnesium alloys | Monte Carlo simulation | Grain boundaries | Monte Carlo method | Solid solutions | Anisotropy | Alloys | Molecular dynamics | Zinc
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2. The phase stability of equiatomic CoCrFeMnNi high-entropy alloy: Comparison between experiment and calculation results
by Nokeun Park and Byeong-Joo Lee and Nobuhiro Tsuji
Journal of Alloys and Compounds, ISSN 0925-8388, 09/2017, Volume 719, p. 189
A comparative study about the phase stability of equiatomic C°CrFeMnNi alloy of thermodynamic calculation (Thermo-Calc) and experimental result is shown. The... 
Sigma phase | High entropy alloys | Annealing | Temperature | Diffraction | Energy use | Mathematical analysis | Alloys | Comparative studies | Phase stability
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3. Full Text 금속·재료 분야 전산재료과학 사용설명서
by 이병주 and Byeong-joo Lee
대한금속재료학회지, ISSN 1738-8228, 2018, Volume 56, Issue 4, pp. 253 - 264
Computational approaches such as first-principles calculations, atomistic simulations, phase field simulations, computational thermodynamics and finite element... 
phase field method | thermodynamics | atomistic simulation | computational materials science | alloy and process design | computational | 재료공학
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4. Full Text The phase stability of equiatomic CoCrFeMnNi high-entropy alloy: Comparison between experiment and calculation results
by Park, Nokeun and Lee, Byeong-Joo and Tsuji, Nobuhiro
Journal of Alloys and Compounds, ISSN 0925-8388, 09/2017, Volume 719, pp. 189 - 193
A comparative study about the phase stability of equiatomic CoCrFeMnNi alloy of thermodynamic calculation (Thermo-Calc) and experimental result is shown. The... 
Sigma phase | Thermodynamics | High-entropy alloy | CoCrFeMnNi | High-pressure torsion | MATERIALS SCIENCE, MULTIDISCIPLINARY | METALLURGY & METALLURGICAL ENGINEERING | SIGMA-PHASE | CHEMISTRY, PHYSICAL | STATE | MECHANICAL-PROPERTIES | CRMNFECONI | MICROSTRUCTURE | Annealing | X-ray spectroscopy | Building materials | Analysis | Alloys
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5. Critical assessment of Pt surface energy – An atomistic study
by Jin-Soo Kim and Donghyuk Seol and Byeong-Joo Lee
Surface Science, ISSN 0039-6028, 04/2018, Volume 670, p. 8
Despite the fact that surface energy is a fundamental quantity in understanding surface structure of nanoparticle, the results of experimental measurements and... 
Nanoparticles | Binary alloys | Bimetals | Platinum | Embedded atom method | Oxidation | Atomic structure | Configurations | Monte Carlo simulation | Surface energy | Surface structure
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6. Full Text Interatomic Potential of Li–Mn–O and Molecular Dynamics Simulations on Li Diffusion in Spinel Li1–x Mn2O4
by Lee, Eunkoo and Lee, Kwang-Ryeol and Lee, Byeong-Joo
The Journal of Physical Chemistry C, ISSN 1932-7447, 06/2017, Volume 121, Issue 24, pp. 13008 - 13017
An interatomic potential of the Li–Mn–O ternary system has been developed on the basis of the second-nearest-neighbor modified embedded-atom method (2NN MEAM)... 
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7. Full Text Modified embedded-atom method interatomic potential for the Mg–Zn–Ca ternary system
by Jang, Hyo-Sun and Seol, Donghyuk and Lee, Byeong-Joo
Calphad, ISSN 0364-5916, 12/2019, Volume 67, p. 101674
Mg–Zn–Ca alloys are representative Mg alloys with high formability at room temperature. Their high formability is thought to be related to slip, twinning, and... 
Atomistic simulation | Interatomic potential | 2NN MEAM | Zn–Ca | Mg–Zn–Ca
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8. Modified embedded-atom interatomic potential for Fe-Ni, Cr-Ni and Fe-Cr-Ni systems
by Changjun Wu and Byeong-Joo Lee and Xuping Su
CALPHAD : Computer Coupling of Phase Diagrams and Thermochemistry, ISSN 0364-5916, 06/2017, Volume 57, p. 98
A semi-empirical interatomic potential formalism, the second-nearest-neighbor modified embedded-atom method (2NN MEAM), has been applied to obtaining... 
Chromium base alloys | Nickel base alloys | Alloy development | Computer simulation | Enthalpy | Alloys | Ternary alloys | Physical properties | Phase transitions | Binary alloys | Embedded systems | Ferrous alloys | Embedded atom method | Elastic properties
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9. Modified embedded-atom method interatomic potentials for Mg-Nd and Mg-Pb binary systems
by Ki-Hyun Kim and Byeong-Joo Lee
CALPHAD : Computer Coupling of Phase Diagrams and Thermochemistry, ISSN 0364-5916, 06/2017, Volume 57, p. 55
Interatomic potentials for the Mg-Nd and Mg-Pb binary systems have been developed within the framework of the second nearest-neighbor modified embedded-atom... 
Embedded systems | Properties (attributes) | Magnesium base alloys | Deformation | Computer simulation | Alloys | Embedded atom method | Binary systems | Elastic properties | Binary systems (materials) | Phase transitions
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10. Full Text A modified embedded-atom method interatomic potential for the Fe–C system
by Lee, Byeong-Joo
Acta Materialia, ISSN 1359-6454, 2006, Volume 54, Issue 3, pp. 701 - 711
A modified embedded-atom method (MEAM) interatomic potential for the Fe–C binary system has been developed using previous MEAM potentials of Fe and C. The... 
Atomistic simulation | Molecular dynamics | Iron–carbon alloys | Lattice defect | Modified embedded-atom method | Iron-carbon alloys | METAL CARBIDES | DEFECTS | modified embedded-atom method | CARBON | IRRADIATED IRON | MATERIALS SCIENCE, MULTIDISCIPLINARY | METALLURGY & METALLURGICAL ENGINEERING | ALPHA-IRON | molecular dynamics | COHESIVE PROPERTIES | IMPURITIES | ELECTRON-IRRADIATION | atomistic simulation | lattice defect | NITROGEN | iron-carbon alloys | NITRIDES | Analysis | Methods | Alloys
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11. Full Text Thermodynamic calculation on the stability of (Fe,Mn) 3AlC carbide in high aluminum steels
by Chin, Kwang-Geun and Lee, Hyuk-Joong and Lee, Byeong-Joo and Kwak, Jai-Hyun and Kang, Jung-Yoon
Journal of Alloys and Compounds, ISSN 0925-8388, 2010, Volume 505, Issue 1, pp. 217 - 223
A CALPHAD type thermodynamic description for the Fe–Mn–Al–C quaternary system has been constructed by combining a newly assessed Mn–Al–C ternary description... 
κ carbide | Phase stability | High Al steel | Thermodynamic calculation
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12. Full Text Role of yttrium in activation of 〈c+a〉 slip in magnesium: An atomistic approach
by Kim, Nack Joon and Kim, Ki-Hyun and Jeon, Jong Bae and Lee, Byeong-Joo
Scripta Materialia, ISSN 1359-6462, 11/2015, Volume 108, pp. 104 - 108
The effect of Y addition on the slip behavior of an edge dislocation on basal, prismatic and second-order pyramidal slip planes of Mg has been investigated... 
Molecular dynamics | Mg alloy | c + a〉 slip | Yttrium | Critical resolved shear stress | 'c + a' slip | Simulation | Slip | Alloys | Shear stress | Activation | Magnesium | Dynamical systems
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13. Full Text How to utilize computational materials science in the metals and materials community - An overview
by Lee, Byeong-Joo
Journal of Korean Institute of Metals and Materials, ISSN 1738-8228, 04/2018, Volume 56, Issue 4, pp. 253 - 264
Atomistic simulation | Computational thermodynamics | Alloy and process design | Phase field method | Computational materials science
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14. Full Text Interatomic Potential of Li-Mn-O and Molecular Dynamics Simulations on Li Diffusion in Spinel Li1-xMn2O4
by Lee, Eunkoo and Lee, Kwang-Ryeol and Lee, Byeong-Joo
Journal of Physical Chemistry C, ISSN 1932-7447, 06/2017, Volume 121, Issue 24, pp. 13008 - 13017
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15. Full Text Grain boundary engineering approach to improve hydrogen embrittlement resistance in FeMnC TWIP steel
by Kwon, Young Jin and Jung, Seung-Pill and Lee, Byeong-Joo and Lee, Chong Soo
International Journal of Hydrogen Energy, ISSN 0360-3199, 05/2018, Volume 43, Issue 21, pp. 10129 - 10140
This investigation aimed to improve hydrogen embrittlement (HE) resistance of Fe 17Mn−0.8C (wt %) TWIP steels by use of grain boundary engineering approach.... 
Grain boundary engineering | Coincidence site lattice (CSL) | Hydrogen embrittlement | Intergranular fracture | Twinning-induced plasticity steel
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16. Full Text [O30] Design of sustainable V-based hydrogen separation membranes based on grain boundary segregation
by Ko, Won-Seok and Lee, Byeong-Joo
Calphad, ISSN 0364-5916, 12/2015, Volume 51, pp. 354 - 354
Grain boundaries | Hydrogen
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17. Modified embedded-atom method interatomic potentials for pure Zn and Mg-Zn binary system
by Hyo-Sun Jang and Kyeong-Min Kim and Byeong-Joo Lee
CALPHAD : Computer Coupling of Phase Diagrams and Thermochemistry, ISSN 0364-5916, 03/2018, Volume 60, p. 200
Interatomic potentials for pure Zn and Mg–Zn binary system have been developed on the basis of the second nearest-neighbor modified embedded-atom method... 
First principles | Computer simulation | Binary system | Alloys | Stacking fault energy | Binary systems (materials) | Zinc | Embedded systems | Mathematical analysis | Embedded atom method | Magnesium | Elastic properties | Thermodynamic properties | Material properties
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18. Recent Progress in Atomistic Computational Thermodynamics
by Lee, Byeong-Joo
AIP Conference Proceedings, ISSN 0094-243X, 03/2012
Computational thermodynamics, often associated with the CALPHAD technique, provides a thermodynamic basis to the phase field method simulation technique and... 
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19. Revealing impact of plasma condition on graphite nanostructures and effective charge doping of graphene
by Byeong-Joo Lee and Dong-Hoon Shin and Sangwook Lee and Goo-Hwan Jeong
Carbon, ISSN 0008-6223, 10/2017, Volume 123, p. 174
It is difficult to achieve effective doping without inducing structural damage in plasma-assisted processes. In this study, we demonstrate the effects of the... 
Atomic force microscopy | Electrical properties | Atomic beam spectroscopy | Ion bombardment | Doping | Nanomaterials | Studies | Electrodes | Ammonia | Graphene | Spectrum analysis | Structural damage | Configurations | Nanostructured materials | Semiconductor doping | Cathodes | Structural analysis
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20. An approach for screening single phase high-entropy alloys using an in-house thermodynamic database
by Antonio João Seco Ferreira Tapia and Dami Yim and Hyoung Seop Kim and Byeong-Joo Lee
Intermetallics, ISSN 0966-9795, 10/2018, Volume 101, p. 56
A new screening methodology is proposed to aid in the development of high-entropy alloys (HEAs). This approach takes into account three commonly used criteria... 
High entropy alloys | Phase diagrams | Design parameters | Alloy development | Computer simulation | Alloys | Inspection | Binary systems (materials) | Medical screening | Phase transitions | Thermodynamics | Screening | Solid solutions | Alloy systems
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