Blame for data/processed/samples_meta.csv

sample_id,title,doi,alloy,load_mode,load_direction,strain_rate,T0,eta,ensemble,crystalline,shape_raw,lwh_raw,diameter_raw,aspect_raw,rho0,phase_raw,potential,twin_nuc,twin_type,twin_lambda,VEC,delta,rbar,dHmix,dSmix,chi,Mavg,dmu,Tm,rhomass,init_xi_BCC,init_xi_FCC,init_xi_HCP,init_xi_other,init_d_perfect,init_d_shockley,init_d_frank,init_d_stairrod,init_d_hirth,init_d_oth,init_d_112_111,init_d_100,comp_sum,at_Al,at_Ti,at_Zr,at_Nb,at_Mo,at_Ta,at_V,at_Cr,at_Mn,at_Fe,at_Co,at_Ni,at_Cu,at_Hf,at_W,at_Re,at_Sc,at_Mg,at_Si,at_Sn,shape_type,geom_L,geom_W,geom_H,geom_D,geom_AR,app_L,app_W,app_H,app_D,app_AR,geom_volume_nm3,app_V,orient_h,orient_k,orient_l,app_orient
1,Atomistic simulation of deformation behaviors polycrystalline CoCrFeMnNi high-entropy alloy under uniaxial loading,10.1016/j.ijrmhm.2020.105415,CoCrFeMnNi,T,[011]（X 向拉伸）,100000000.0,300.0,0.3333333333333333,NPT,p,R,100 × 50 × 3.4 nm（长×高×宽）,,,,FCC,MEAM,,deformation nanotwin（FCC/HCP nanotwin；FCC→HCP 相变诱导）,,8.0,0.6,1.25,-4.2,13.4,1.766,56.08,17.4,1801.0,8.02,0.001,0.898,0.004,0.1,,,,,,,,,100.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.2,0.2,0.2,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,100.0,3.4,50.0,,,1.0,1.0,1.0,0.0,0.0,17000.0,1.0,0.0,0.7071067811865475,0.7071067811865475,1.0
2,Atomistic simulation of deformation behaviors polycrystalline CoCrFeMnNi high-entropy alloy under uniaxial loading,10.1016/j.ijrmhm.2020.105415,CoCrFeMnNi,C,[011]（X 向压缩）,100000000.0,300.0,-0.3333333333333333,NPT,p,R,100 × 50 × 3.4 nm（长×高×宽）,,,,FCC,MEAM,,deformation nanotwin（FCC/HCP nanotwin；FCC→HCP 相变诱导）,,8.0,0.6,1.25,-4.2,13.4,1.766,56.08,17.4,1801.0,8.02,0.0,0.899,0.003,0.099,,,,,,,,,100.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.2,0.2,0.2,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,100.0,3.4,50.0,,,1.0,1.0,1.0,0.0,0.0,17000.0,1.0,0.0,0.7071067811865475,0.7071067811865475,1.0
3,Deformation and mechanical characteristic of FeCoNiCr alloy using in-situ compression and atomic simulation,10.1016/j.matchar.2025.115024,FeCoNiCr,C,X 向压缩（多晶）,100000000.0,300.0,-0.3333333333333333,NVT,p,c,,10（顶）– 11.3（底）,1.5,0.0117,FCC,EAM,,,,8.27,0.3,1.247,-3.7,11.5,1.821,56.39,18.8,1870.0,8.18,,,,,,,,,,,,,100.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2458,0.0,0.2507,0.2498,0.25370000000000004,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,cylinder,,,,10.65,1.5,0.0,0.0,0.0,1.0,1.0,1423.082125427455,1.0,,,,0.0
4,Deformation and mechanical characteristic of FeCoNiCr alloy using in-situ compression and atomic simulation,10.1016/j.matchar.2025.115024,FeCoNiCr,C,X 向压缩（多晶）,100000000.0,300.0,-0.3333333333333333,NVT,p,c,,10（顶）– 11.3（底）,2.0,0.00093,FCC,EAM,,,,8.27,0.3,1.247,-3.7,11.5,1.821,56.39,18.8,1870.0,8.18,,,,,,,,,,,,,100.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2458,0.0,0.2507,0.2498,0.25370000000000004,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,cylinder,,,,10.65,2.0,0.0,0.0,0.0,1.0,1.0,1897.4428339032731,1.0,,,,0.0
5,Deformation and mechanical characteristic of FeCoNiCr alloy using in-situ compression and atomic simulation,10.1016/j.matchar.2025.115024,FeCoNiCr,C,X 向压缩（多晶）,100000000.0,300.0,-0.3333333333333333,NVT,p,c,,10（顶）– 11.3（底）,3.0,0.00079,FCC,EAM,,,,8.27,0.3,1.247,-3.7,11.5,1.821,56.39,18.8,1870.0,8.18,,,,,,,,,,,,,100.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2458,0.0,0.2507,0.2498,0.25370000000000004,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,cylinder,,,,10.65,3.0,0.0,0.0,0.0,1.0,1.0,2846.16425085491,1.0,,,,0.0
6,Deformation and mechanical characteristic of FeCoNiCr alloy using in-situ compression and atomic simulation,10.1016/j.matchar.2025.115024,FeCoNiCr,C,X 向压缩（多晶）,100000000.0,300.0,-0.3333333333333333,NVT,p,c,,10（顶）– 11.3（底）,6.0,0.0,FCC,EAM,,,,8.27,0.3,1.247,-3.7,11.5,1.821,56.39,18.8,1870.0,8.18,,,,,,,,,,,,,100.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2458,0.0,0.2507,0.2498,0.25370000000000004,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,cylinder,,,,10.65,6.0,0.0,0.0,0.0,1.0,1.0,5692.32850170982,1.0,,,,0.0
7,"Design of high entropy superalloy FeNiCrCoAl using molecular dynamics, computational thermodynamics, and machine learning",10.1016/j.jallcom.2024.177514,MEA FeNiAl（tension）,T,[112]（X 向）,10000000000.0,300.0,0.3333333333333333,NPT,s,R,7.16 × 7.16 × 4.30 nm（20a×20a×12a，a=3.58 Å）,,,0.0,FCC,EAM,,deformation twin（TB＝单层 HCP 原子；低层错能设计促成）,,7.0,6.8,1.3065,-15.6,9.1,1.783,47.17,40.9,1491.0,5.98,0.0,1.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,,100.00000000000003,0.3333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3333333333333333,0.0,0.3333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,7.16,4.3,7.16,,,1.0,1.0,1.0,0.0,0.0,220.44208,1.0,0.4082482904638631,0.4082482904638631,0.8164965809277261,1.0
8,"Design of high entropy superalloy FeNiCrCoAl using molecular dynamics, computational thermodynamics, and machine learning",10.1016/j.jallcom.2024.177514,MEA FeNiAl（compression）,C,[112]（X 向）,10000000000.0,300.0,-0.3333333333333333,NPT,s,R,7.16 × 7.16 × 4.30 nm（20a×20a×12a，a=3.58 Å）,,,0.0,FCC,EAM,,deformation twin（TB＝单层 HCP 原子；低层错能设计促成）,,7.0,6.8,1.3065,-15.6,9.1,1.783,47.17,40.9,1491.0,5.98,0.0,1.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,,100.00000000000003,0.3333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3333333333333333,0.0,0.3333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,7.16,4.3,7.16,,,1.0,1.0,1.0,0.0,0.0,220.44208,1.0,0.4082482904638631,0.4082482904638631,0.8164965809277261,1.0
9,"Design of high entropy superalloy FeNiCrCoAl using molecular dynamics, computational thermodynamics, and machine learning",10.1016/j.jallcom.2024.177514,MEA FeNiCrAl（tension）,T,[112]（X 向）,10000000000.0,300.0,0.3333333333333333,NPT,s,R,7.16 × 7.16 × 4.30 nm（20a×20a×12a，a=3.58 Å）,,,0.0,FCC,EAM,,deformation twin（TB＝单层 HCP 原子；低层错能设计促成）,,6.75,6.3,1.2921,-13.2,11.5,1.752,48.38,42.6,1663.0,6.25,0.0,1.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,,100.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.0,0.25,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,7.16,4.3,7.16,,,1.0,1.0,1.0,0.0,0.0,220.44208,1.0,0.4082482904638631,0.4082482904638631,0.8164965809277261,1.0
10,"Design of high entropy superalloy FeNiCrCoAl using molecular dynamics, computational thermodynamics, and machine learning",10.1016/j.jallcom.2024.177514,MEA FeNiCrAl（compression）,C,[112]（X 向）,10000000000.0,300.0,-0.3333333333333333,NPT,s,R,7.16 × 7.16 × 4.30 nm（20a×20a×12a，a=3.58 Å）,,,0.0,FCC,EAM,,deformation twin（TB＝单层 HCP 原子；低层错能设计促成）,,6.75,6.3,1.2921,-13.2,11.5,1.752,48.38,42.6,1663.0,6.25,0.0,1.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,,100.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.0,0.25,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,7.16,4.3,7.16,,,1.0,1.0,1.0,0.0,0.0,220.44208,1.0,0.4082482904638631,0.4082482904638631,0.8164965809277261,1.0
11,"Design of high entropy superalloy FeNiCrCoAl using molecular dynamics, computational thermodynamics, and machine learning",10.1016/j.jallcom.2024.177514,HEA FeNiCrCoAl（tension）,T,[112]（X 向）,10000000000.0,300.0,0.3333333333333333,NPT,s,R,7.16 × 7.16 × 4.30 nm（20a×20a×12a，a=3.58 Å）,,,0.0,FCC,EAM,,deformation twin（TB＝单层 HCP 原子；低层错能设计促成）,,7.2,5.8,1.2841,-12.3,13.4,1.778,50.49,38.1,1684.0,6.72,0.0,1.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,,100.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.2,0.2,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,7.16,4.3,7.16,,,1.0,1.0,1.0,0.0,0.0,220.44208,1.0,0.4082482904638631,0.4082482904638631,0.8164965809277261,1.0
12,"Design of high entropy superalloy FeNiCrCoAl using molecular dynamics, computational thermodynamics, and machine learning",10.1016/j.jallcom.2024.177514,HEA FeNiCrCoAl（compression）,C,[112]（X 向）,10000000000.0,300.0,-0.3333333333333333,NPT,s,R,7.16 × 7.16 × 4.30 nm（20a×20a×12a，a=3.58 Å）,,,0.0,FCC,EAM,,deformation twin（TB＝单层 HCP 原子；低层错能设计促成）,,7.2,5.8,1.2841,-12.3,13.4,1.778,50.49,38.1,1684.0,6.72,0.0,1.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,,100.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.2,0.2,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,7.16,4.3,7.16,,,1.0,1.0,1.0,0.0,0.0,220.44208,1.0,0.4082482904638631,0.4082482904638631,0.8164965809277261,1.0
13,"Design of high entropy superalloy FeNiCrCoAl using molecular dynamics, computational thermodynamics, and machine learning",10.1016/j.jallcom.2024.177514,HESA Fe35NiCrCoAl（tension）,T,[112]（X 向）,10000000000.0,300.0,0.3333333333333333,NPT,s,R,7.16 × 7.16 × 4.30 nm（20a×20a×12a，a=3.58 Å）,,,0.0,FCC,EAM,,deformation twin（TB＝单层 HCP 原子；低层错能设计促成）,,7.35,5.4,1.276,-10.0,12.9,1.788,51.5,33.9,1708.0,6.92,0.0,1.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,,100.0,0.1625,0.0,0.0,0.0,0.0,0.0,0.0,0.1625,0.0,0.35,0.1625,0.1625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,7.16,4.3,7.16,,,1.0,1.0,1.0,0.0,0.0,220.44208,1.0,0.4082482904638631,0.4082482904638631,0.8164965809277261,1.0
14,"Design of high entropy superalloy FeNiCrCoAl using molecular dynamics, computational thermodynamics, and machine learning",10.1016/j.jallcom.2024.177514,HESA Fe35NiCrCoAl（compression）,C,[112]（X 向）,10000000000.0,300.0,-0.3333333333333333,NPT,s,R,7.16 × 7.16 × 4.30 nm（20a×20a×12a，a=3.58 Å）,,,0.0,FCC,EAM,,deformation twin（TB＝单层 HCP 原子；低层错能设计促成）,,7.35,5.4,1.276,-10.0,12.9,1.788,51.5,33.9,1708.0,6.92,0.0,1.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,,100.0,0.1625,0.0,0.0,0.0,0.0,0.0,0.0,0.1625,0.0,0.35,0.1625,0.1625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,7.16,4.3,7.16,,,1.0,1.0,1.0,0.0,0.0,220.44208,1.0,0.4082482904638631,0.4082482904638631,0.8164965809277261,1.0
15,Exploring deformation mechanisms in a refractory high entropy alloy (MoNbTaW),10.1016/j.ijmecsci.2025.110000,MoNbTaW,T,y 向拉伸（[010]）,1000000000.0,300.0,0.3333333333333333,NPT,s,R,11.8 × 45.6 × 11.8 nm（118×456×118 ų，y 为长轴）,,,0.0,BCC,SNAP,,{112} deformation twin（BCC，twin band 结构）,,5.5,2.0,1.404,-6.8,11.5,1.905,138.41,48.6,3158.0,13.62,0.995,0.0,0.0,0.0,,,,,,,,,100.0,0.0,0.0,0.0,0.25,0.25,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.0,0.0,0.0,0.0,0.0,prism,11.8,11.8,45.6,,,1.0,1.0,1.0,0.0,0.0,6349.344000000001,1.0,0.0,1.0,0.0,1.0
16,Exploring deformation mechanisms in a refractory high entropy alloy (MoNbTaW),10.1016/j.ijmecsci.2025.110000,MoNbTaW,T,y 向拉伸（[010]）,1000000000.0,1000.0,0.3333333333333333,NPT,s,R,11.8 × 45.6 × 11.8 nm（118×456×118 ų，y 为长轴）,,,0.0,BCC,SNAP,,{112} deformation twin（BCC，twin band 结构）,,5.5,2.0,1.404,-6.8,11.5,1.905,138.41,48.6,3158.0,13.62,0.995,0.0,0.0,0.0,,,,,,,,,100.0,0.0,0.0,0.0,0.25,0.25,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.0,0.0,0.0,0.0,0.0,prism,11.8,11.8,45.6,,,1.0,1.0,1.0,0.0,0.0,6349.344000000001,1.0,0.0,1.0,0.0,1.0
17,Exploring deformation mechanisms in a refractory high entropy alloy (MoNbTaW),10.1016/j.ijmecsci.2025.110000,MoNbTaW,C,y 向压缩（[010]）,1000000000.0,300.0,-0.3333333333333333,NPT,s,R,11.8 × 45.6 × 11.8 nm（118×456×118 ų，y 为长轴）,,,0.0,BCC,SNAP,,{112} deformation twin（BCC，twin band 结构）,,5.5,2.0,1.404,-6.8,11.5,1.905,138.41,48.6,3158.0,13.62,0.995,0.0,0.0,0.0,,,,,,,,,100.0,0.0,0.0,0.0,0.25,0.25,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.0,0.0,0.0,0.0,0.0,prism,11.8,11.8,45.6,,,1.0,1.0,1.0,0.0,0.0,6349.344000000001,1.0,0.0,1.0,0.0,1.0
18,Exploring deformation mechanisms in a refractory high entropy alloy (MoNbTaW),10.1016/j.ijmecsci.2025.110000,MoNbTaW,C,y 向压缩（[010]）,1000000000.0,1000.0,-0.3333333333333333,NPT,s,R,11.8 × 45.6 × 11.8 nm（118×456×118 ų，y 为长轴）,,,0.0,BCC,SNAP,,{112} deformation twin（BCC，twin band 结构）,,5.5,2.0,1.404,-6.8,11.5,1.905,138.41,48.6,3158.0,13.62,0.995,0.0,0.0,0.0,,,,,,,,,100.0,0.0,0.0,0.0,0.25,0.25,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.0,0.0,0.0,0.0,0.0,prism,11.8,11.8,45.6,,,1.0,1.0,1.0,0.0,0.0,6349.344000000001,1.0,0.0,1.0,0.0,1.0
19,Mechanical responses of Al20.4Mo10.5Nb22.4Ta10.1Ti17.8Zr18.8 nanopillar under uniaxial compression,10.1016/j.mtcomm.2022.104858,Al20.4Mo10.5Nb22.4Ta10.1Ti17.8Zr18.8,C,[001],1400000000.0,300.0,-0.3333333333333333,NPT,s,c,,13,,,BCC,MEAM,,deformation twinning（[110] 压缩主要塑性机制之一）,,4.33,5.0,1.4614,-16.5,14.5,1.589,80.34,58.0,2188.0,7.64,0.958,0.002,0.001,0.04,,,,,,,0.0,,100.0,0.204,0.17800000000000002,0.188,0.22399999999999998,0.105,0.10099999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,cylinder,,,,13.0,,0.0,0.0,0.0,1.0,0.0,,0.0,0.0,0.0,1.0,1.0
20,Mechanical responses of Al20.4Mo10.5Nb22.4Ta10.1Ti17.8Zr18.8 nanopillar under uniaxial compression,10.1016/j.mtcomm.2022.104858,Al20.4Mo10.5Nb22.4Ta10.1Ti17.8Zr18.8,C,[001],1400000000.0,300.0,-0.3333333333333333,NPT,s,c,,6,,,BCC,MEAM,,deformation twinning（[110] 压缩主要塑性机制之一）,,4.33,5.0,1.4614,-16.5,14.5,1.589,80.34,58.0,2188.0,7.64,0.913,0.008,0.002,0.077,,,,,,,,,100.0,0.204,0.17800000000000002,0.188,0.22399999999999998,0.105,0.10099999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,cylinder,,,,6.0,,0.0,0.0,0.0,1.0,0.0,,0.0,0.0,0.0,1.0,1.0
21,Mechanical responses of Al20.4Mo10.5Nb22.4Ta10.1Ti17.8Zr18.8 nanopillar under uniaxial compression,10.1016/j.mtcomm.2022.104858,Al20.4Mo10.5Nb22.4Ta10.1Ti17.8Zr18.8,C,[001],1400000000.0,300.0,-0.3333333333333333,NPT,s,c,,9,,,BCC,MEAM,,deformation twinning（[110] 压缩主要塑性机制之一）,,4.33,5.0,1.4614,-16.5,14.5,1.589,80.34,58.0,2188.0,7.64,0.942,0.002,0.001,0.055,,,,,,,,,100.0,0.204,0.17800000000000002,0.188,0.22399999999999998,0.105,0.10099999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,cylinder,,,,9.0,,0.0,0.0,0.0,1.0,0.0,,0.0,0.0,0.0,1.0,1.0
22,Mechanical responses of Al20.4Mo10.5Nb22.4Ta10.1Ti17.8Zr18.8 nanopillar under uniaxial compression,10.1016/j.mtcomm.2022.104858,Al20.4Mo10.5Nb22.4Ta10.1Ti17.8Zr18.8,C,[110],1400000000.0,300.0,-0.3333333333333333,NPT,s,c,,13,,,BCC,MEAM,,deformation twinning（[110] 压缩主要塑性机制之一）,,4.33,5.0,1.4614,-16.5,14.5,1.589,80.34,58.0,2188.0,7.64,0.958,0.0,0.011,0.031,,,,,,,0.0,,100.0,0.204,0.17800000000000002,0.188,0.22399999999999998,0.105,0.10099999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,cylinder,,,,13.0,,0.0,0.0,0.0,1.0,0.0,,0.0,0.7071067811865475,0.7071067811865475,0.0,1.0
23,Mechanical responses of Al20.4Mo10.5Nb22.4Ta10.1Ti17.8Zr18.8 nanopillar under uniaxial compression,10.1016/j.mtcomm.2022.104858,Al20.4Mo10.5Nb22.4Ta10.1Ti17.8Zr18.8,C,[111],1400000000.0,300.0,-0.3333333333333333,NPT,s,c,,13,,,BCC,MEAM,,deformation twinning（[110] 压缩主要塑性机制之一）,,4.33,5.0,1.4614,-16.5,14.5,1.589,80.34,58.0,2188.0,7.64,0.961,0.0,0.006,0.033,,,,,,,0.0,,100.0,0.204,0.17800000000000002,0.188,0.22399999999999998,0.105,0.10099999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,cylinder,,,,13.0,,0.0,0.0,0.0,1.0,0.0,,0.0,0.5773502691896258,0.5773502691896258,0.5773502691896258,1.0
61,Atomistic simulation of the deformation behavior of Fe2Ni2CrAl high-entropy alloy under uniaxial compression,10.1016/j.mtcomm.2023.105296,Fe2Ni2CrAl（Fe33.3/Ni33.3/Cr16.7/Al16.7 at%）,C,z 向单轴压缩（单轴应力态）,500000000000.0,300.0,-0.3333333333333333,NPT,s,R,"9 × 9 × 9 nm（90×90×90 ų，62,500 原子）",,,,FCC,EAM,,deformation twin（TB＝单层 HCP 原子）,,7.5,5.5,1.2759,-11.1,11.1,1.792,51.34,34.3,1699.0,6.9,0.0,1.0,0.0,0.0,,,,,,,,,100.00000000000003,0.16666666666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.16666666666666666,0.0,0.3333333333333333,0.0,0.3333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,9.0,9.0,9.0,,,1.0,1.0,1.0,0.0,0.0,729.0,1.0,,,,0.0
62,Atomistic simulation of the deformation behavior of Fe2Ni2CrAl high-entropy alloy under uniaxial compression,10.1016/j.mtcomm.2023.105296,Fe2Ni2CrAl（Fe33.3/Ni33.3/Cr16.7/Al16.7 at%）,C,z 向单轴压缩（单轴应力态）,500000000000.0,673.0,-0.3333333333333333,NPT,s,R,"9 × 9 × 9 nm（90×90×90 ų，62,500 原子）",,,,FCC,EAM,,deformation twin（TB＝单层 HCP 原子）,,7.5,5.5,1.2759,-11.1,11.1,1.792,51.34,34.3,1699.0,6.9,0.0,1.0,0.0,0.0,,,,,,,,,100.00000000000003,0.16666666666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.16666666666666666,0.0,0.3333333333333333,0.0,0.3333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,9.0,9.0,9.0,,,1.0,1.0,1.0,0.0,0.0,729.0,1.0,,,,0.0
63,Atomistic simulation of the deformation behavior of Fe2Ni2CrAl high-entropy alloy under uniaxial compression,10.1016/j.mtcomm.2023.105296,Fe2Ni2CrAl（Fe33.3/Ni33.3/Cr16.7/Al16.7 at%）,C,z 向单轴压缩（单轴应力态）,500000000000.0,873.0,-0.3333333333333333,NPT,s,R,"9 × 9 × 9 nm（90×90×90 ų，62,500 原子）",,,,FCC,EAM,,deformation twin（TB＝单层 HCP 原子）,,7.5,5.5,1.2759,-11.1,11.1,1.792,51.34,34.3,1699.0,6.9,0.0,1.0,0.0,0.0,,,,,,,,,100.00000000000003,0.16666666666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.16666666666666666,0.0,0.3333333333333333,0.0,0.3333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,9.0,9.0,9.0,,,1.0,1.0,1.0,0.0,0.0,729.0,1.0,,,,0.0
64,Atomistic simulation of the deformation behavior of Fe2Ni2CrAl high-entropy alloy under uniaxial compression,10.1016/j.mtcomm.2023.105296,Fe2Ni2CrAl（Fe33.3/Ni33.3/Cr16.7/Al16.7 at%）,C,z 向单轴压缩（单轴应力态）,500000000000.0,1073.0,-0.3333333333333333,NPT,s,R,"9 × 9 × 9 nm（90×90×90 ų，62,500 原子）",,,,FCC,EAM,,deformation twin（TB＝单层 HCP 原子）,,7.5,5.5,1.2759,-11.1,11.1,1.792,51.34,34.3,1699.0,6.9,0.0,1.0,0.0,0.0,,,,,,,,,100.00000000000003,0.16666666666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.16666666666666666,0.0,0.3333333333333333,0.0,0.3333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,9.0,9.0,9.0,,,1.0,1.0,1.0,0.0,0.0,729.0,1.0,,,,0.0
65,Effect of Twin Boundary Density on Mechanical Behavior of Al0.1CoCrFeNi High-Entropy Alloy by Molecular Dynamics Simulation,10.3389/fmats.2022.849051,Al0.1CoCrFeNi（Al2.4/Co24.4/Cr24.4/Fe24.4/Ni24.4 at%）,T,Y 向单轴拉伸（Y‖[111]；X‖[-110]、Z‖[11-2]）,1000000000.0,300.0,0.3333333333333333,NPT,s,R,"11 × 20 × 5.5 nm（110×200×55 ų，518,000–528,000 原子）",,,0.0,FCC,EAM,,nanotwin（coherent {111} TB，间距 λ=0.61–6.78 nm）,0.61,8.12,2.3,1.2515,-5.0,12.2,1.815,55.66,21.8,1849.0,7.98,0.0,1.0,0.0,0.0,,,,,,,,,100.0,0.024,0.0,0.0,0.0,0.0,0.0,0.0,0.244,0.0,0.244,0.244,0.244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,11.0,5.5,20.0,,,1.0,1.0,1.0,0.0,0.0,1210.0,1.0,0.5773502691896258,0.5773502691896258,0.5773502691896258,1.0
66,Effect of Twin Boundary Density on Mechanical Behavior of Al0.1CoCrFeNi High-Entropy Alloy by Molecular Dynamics Simulation,10.3389/fmats.2022.849051,Al0.1CoCrFeNi（Al2.4/Co24.4/Cr24.4/Fe24.4/Ni24.4 at%）,T,Y 向单轴拉伸（Y‖[111]；X‖[-110]、Z‖[11-2]）,1000000000.0,300.0,0.3333333333333333,NPT,s,R,"11 × 20 × 5.5 nm（110×200×55 ų，518,000–528,000 原子）",,,0.0,FCC,EAM,,nanotwin（coherent {111} TB，间距 λ=0.61–6.78 nm）,1.84,8.12,2.3,1.2515,-5.0,12.2,1.815,55.66,21.8,1849.0,7.98,0.0,1.0,0.0,0.0,,,,,,,,,100.0,0.024,0.0,0.0,0.0,0.0,0.0,0.0,0.244,0.0,0.244,0.244,0.244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,11.0,5.5,20.0,,,1.0,1.0,1.0,0.0,0.0,1210.0,1.0,0.5773502691896258,0.5773502691896258,0.5773502691896258,1.0
67,Effect of Twin Boundary Density on Mechanical Behavior of Al0.1CoCrFeNi High-Entropy Alloy by Molecular Dynamics Simulation,10.3389/fmats.2022.849051,Al0.1CoCrFeNi（Al2.4/Co24.4/Cr24.4/Fe24.4/Ni24.4 at%）,T,Y 向单轴拉伸（Y‖[111]；X‖[-110]、Z‖[11-2]）,1000000000.0,300.0,0.3333333333333333,NPT,s,R,"11 × 20 × 5.5 nm（110×200×55 ų，518,000–528,000 原子）",,,0.0,FCC,EAM,,nanotwin（coherent {111} TB，间距 λ=0.61–6.78 nm）,3.08,8.12,2.3,1.2515,-5.0,12.2,1.815,55.66,21.8,1849.0,7.98,0.0,1.0,0.0,0.0,,,,,,,,,100.0,0.024,0.0,0.0,0.0,0.0,0.0,0.0,0.244,0.0,0.244,0.244,0.244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,11.0,5.5,20.0,,,1.0,1.0,1.0,0.0,0.0,1210.0,1.0,0.5773502691896258,0.5773502691896258,0.5773502691896258,1.0
68,Effect of Twin Boundary Density on Mechanical Behavior of Al0.1CoCrFeNi High-Entropy Alloy by Molecular Dynamics Simulation,10.3389/fmats.2022.849051,Al0.1CoCrFeNi（Al2.4/Co24.4/Cr24.4/Fe24.4/Ni24.4 at%）,T,Y 向单轴拉伸（Y‖[111]；X‖[-110]、Z‖[11-2]）,1000000000.0,300.0,0.3333333333333333,NPT,s,R,"11 × 20 × 5.5 nm（110×200×55 ų，518,000–528,000 原子）",,,0.0,FCC,EAM,,nanotwin（coherent {111} TB，间距 λ=0.61–6.78 nm）,4.31,8.12,2.3,1.2515,-5.0,12.2,1.815,55.66,21.8,1849.0,7.98,0.0,1.0,0.0,0.0,,,,,,,,,100.0,0.024,0.0,0.0,0.0,0.0,0.0,0.0,0.244,0.0,0.244,0.244,0.244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,11.0,5.5,20.0,,,1.0,1.0,1.0,0.0,0.0,1210.0,1.0,0.5773502691896258,0.5773502691896258,0.5773502691896258,1.0
69,Effect of Twin Boundary Density on Mechanical Behavior of Al0.1CoCrFeNi High-Entropy Alloy by Molecular Dynamics Simulation,10.3389/fmats.2022.849051,Al0.1CoCrFeNi（Al2.4/Co24.4/Cr24.4/Fe24.4/Ni24.4 at%）,T,Y 向单轴拉伸（Y‖[111]；X‖[-110]、Z‖[11-2]）,1000000000.0,300.0,0.3333333333333333,NPT,s,R,"11 × 20 × 5.5 nm（110×200×55 ų，518,000–528,000 原子）",,,0.0,FCC,EAM,,nanotwin（coherent {111} TB，间距 λ=0.61–6.78 nm）,5.55,8.12,2.3,1.2515,-5.0,12.2,1.815,55.66,21.8,1849.0,7.98,0.0,1.0,0.0,0.0,,,,,,,,,100.0,0.024,0.0,0.0,0.0,0.0,0.0,0.0,0.244,0.0,0.244,0.244,0.244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,11.0,5.5,20.0,,,1.0,1.0,1.0,0.0,0.0,1210.0,1.0,0.5773502691896258,0.5773502691896258,0.5773502691896258,1.0
70,Effect of Twin Boundary Density on Mechanical Behavior of Al0.1CoCrFeNi High-Entropy Alloy by Molecular Dynamics Simulation,10.3389/fmats.2022.849051,Al0.1CoCrFeNi（Al2.4/Co24.4/Cr24.4/Fe24.4/Ni24.4 at%）,T,Y 向单轴拉伸（Y‖[111]；X‖[-110]、Z‖[11-2]）,1000000000.0,300.0,0.3333333333333333,NPT,s,R,"11 × 20 × 5.5 nm（110×200×55 ų，518,000–528,000 原子）",,,0.0,FCC,EAM,,nanotwin（coherent {111} TB，间距 λ=0.61–6.78 nm）,6.78,8.12,2.3,1.2515,-5.0,12.2,1.815,55.66,21.8,1849.0,7.98,0.0,1.0,0.0,0.0,,,,,,,,,100.0,0.024,0.0,0.0,0.0,0.0,0.0,0.0,0.244,0.0,0.244,0.244,0.244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,prism,11.0,5.5,20.0,,,1.0,1.0,1.0,0.0,0.0,1210.0,1.0,0.5773502691896258,0.5773502691896258,0.5773502691896258,1.0