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Analyzing the effect of Li/Ni intermixing on Ni-rich layered cathode structures using atomistic simulation of the Li-Ni-Mn-Co-O quinary system. Joonho Ji and Byeong-Joo Lee, J. Power Sources (2022), accepted for publcation.

 

The zip file also includes kissmdq (in-house code) potential parameter file.

Atachment
첨부파일 '1'

LAMMPS Examples

for 2NN MEAM

List of Articles
번호 제목 글쓴이 날짜 조회 수
76 LAMMPS example files for Fe-C system file Admin 2013.08.15 8907
75 Conversion Program 3 file Admin 2013.08.15 11681
74 Potential parameter files for V-Pd-Y ternary system file 고원석 2014.01.23 4630
73 Potential parameter files for Zr-H binary system file 김경민 2014.02.25 3389
72 Modification of 2NN MEAM for diamond structure in LAMMPS file kimkikid 2014.03.24 5538
71 2NN MEAM LAMMPS to kissmd conversion file 이은구 2014.04.08 7364
70 KISSMD example files for Fe-C system file Admin 2014.04.16 3677
69 Potential parameter files for pure Mg and Mg-X binary system file Admin 2014.11.10 4432
68 Potential parameter files for Ti-C and Ti-N binary system 2 file kimkikid 2015.03.02 5191
67 KISSMD example files for Fe-Mn system file Admin 2015.04.27 6206
66 LAMMPS example files for Fe-Mn system file Admin 2015.04.27 7622
65 LAMMPS example files for Fe-Ti-C system file Admin 2015.08.26 6277
64 Potential parameter files for Al-H binary system file 김경민 2015.10.03 3051
63 Potential parameter files for Fe-P binary system file 김경민 2016.03.01 2876
62 Potential parameter files for Fe-H binary system file friendjsp 2016.03.13 3550
61 Potential parameter files for Ga-In-N ternary system file 지준호 2017.03.29 2626
60 Potential parameter files for Co-Cr, Co-Fe, Co-Mn, Cr-Mn and Ni-Mn binary systems file 원미 2017.09.12 2616
59 Pt-M (M=Al, Co, Cu, Mo, Ni, Ti, V) potential parameters file jinsookim 2017.11.04 2416
58 Potential parameter files for Fe-Nb-C ternary system file Kwang 2017.12.11 1988
57 Potential parameter files for pure Zn and Mg-Zn, Mg-Nd, Mg-Pb binary systems file 장효선 2018.03.30 2233
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