Atomsk

Le couteau suisse pour les simulations atomiques

Citations

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    2021
  1. "Reinforcement of polymer nanocomposites by α-graphyne nanotubes: A multiscale simulation"
    G. Najafi et al., Comput. Mater. Science 194 (2021) 110431 | doi: 10.1016/j.commatsci.2021.110431
  2. "Deformation and ductile fracture of nanocrystalline gold ultrathin nanoribbon: Width effect"
    J. Liu et al., Fatigue Fract. Engin. Mater. Struct. (accepted) | doi: 10.1111/ffe.13469
  3. "Molecular dynamics simulation of phonon thermal transport in nanotwinned diamond with a new optimized Tersoff potential"
    L. Shi et al., Phys. Chem. Chem. Phys. 23 (2021) 8336-8343 | doi: 10.1039/D1CP00399B
  4. "Atomic scale modeling of the coherent strain field surrounding Ni4Ti3 precipitate and its effects on thermally-induced martensitic transformation in a NiTi alloy"
    Z. Li et al., Acta Mater. 211 (2021) 116883 | doi: 10.1016/j.actamat.2021.116883
  5. "An atomistic simulation on the tensile and compressive deformation mechanisms of nano-polycrystalline Ti"
    H. Zhang et al., Applied Phys. A 127 (2021) 362 | doi: 10.1007/s00339-021-04522-9
  6. "Spin-lattice model for cubic crystals"
    P. Nieves et al., Phys. Rev. B 103 (2021) 094437 | doi: 10.1103/PhysRevB.103.094437
  7. "Repeated Laser Shock-Wave Adhesion Test for Metallic Coatings: Adhesion Durability and Its Mechanism Studied by Molecular Dynamics Simulation"
    K. Kanamori et al., Coatings 11 (2021) 291 | doi: 10.3390/coatings11030291
  8. "Atomistic Simulation on the Mechanical Properties of Diffusion Bonded Zr-Cu Metallic Glasses with Oxidized Interfaces"
    T. Li and G. Zheng, Metall. Mater. Trans. A 52 (2021) 1939-1946 | doi: 10.1007/s11661-021-06204-w
  9. "Evolution of the structure with the composition and the defect arrangement in the gadolinium and samarium doped and co-doped ceria systems: A molecular dynamics study"
    S. Vives et al., Solid State Ionics 364 (2021) 115611 | doi: 10.1016/j.ssi.2021.115611
  10. "Origins of ductile plasticity in a polycrystalline gallium arsenide during scratching: MD simulation study"
    P. Fan et al., Applied Surf. Science 552 (2021) 149489 | doi: 10.1016/j.apsusc.2021.149489
  11. "High-throughput computing for screening the potential alloying elements of a 7xxx aluminum alloy for increasing the alloy resistance to stress corrosion cracking"
    Y. Ji et al., Corrosion Science 183 (2021) 109304 | doi: 10.1016/j.corsci.2021.109304
  12. "Molecular dynamics study of UO2 symmetric tilt grain boundaries around [001] axis"
    M. Borde et al., J. Amer. Ceram. Soc. 104 (2021) 2879-2893 | doi: 10.1111/jace.17736
  13. "Simulations of Wear-Induced Microstructural Evolution in Nanocrystalline Aluminum"
    Y. Shi and I. Szlufarska, in Light Metals 2021 (2021) 132-139 | doi: 10.1007/978-3-030-65396-5_20
  14. "Mechanical creep instability of nanocrystalline methane hydrates"
    P. Cao et al., Phys. Chem. Chem. Phys. 23 (2021) 3615-3626 | doi: 10.1039/D0CP05896C
  15. "Computational modelling of cold rolling of ferritic iron containing ε-Cu precipitates"
    J. Syarif and K. Badawy, Mater. Today Comm. 27 (2021) 102253 | doi: 10.1016/j.mtcomm.2021.102253
  16. "The core structure of screw dislocations with [001] Burgers vector in Mg2SiO4 olivine"
    S. Mahendran et al., Comptes Rendus Phys. (2021) | doi: 10.5802/crphys.27
  17. "Enhanced Li-ion transport in divalent metal-doped Li2SnO3"
    Y.A. Zulueta and M.T. Nguyen, Dalton Trans. 50 (2021) 3020-3026 | doi: 10.1039/D0DT03860A
  18. "Mechanistic study of oil adsorption onto PVP-coated magnetic nanoparticles: an integrated experimental and molecular dynamics study to inform remediation"
    L.K. Boateng et al., Environ. Science Nano 8 (2021) 485-492 | doi: 10.1039/D0EN00907E
  19. "Effects of temperature and grain size on the mechanical properties of polycrystalline quartz"
    Z. Ma et al., Comput. Mater. Science 188 (2021) 110138 | doi: 10.1016/j.commatsci.2020.110138
  20. "ClasSOMfier: A neural network for cluster analysis and detection of lattice defects"
    J.F. Troncoso, Comput. Mater. Science 188 (2021) 110167 | doi: 10.1016/j.commatsci.2020.110167
  21. "Development of Wide Field of View Three-Dimensional Field Ion Microscopy and High-Fidelity Reconstruction Algorithms to the Study of Defects in Nuclear Materials"
    B. Klaes et al., Microscopy and Microanalysis (accepted) | doi: 10.1017/S1431927621000131
  22. "Extended Hückel Semi-Empirical Approach as an Efficient Method for Structural Defects Analysis in 4H-SiC"
    J. Wozny et al., Materials 14 (2021) 1247 | doi: 10.3390/ma14051247
  23. "Orientation-dependent plastic deformation mechanisms and competition with stress-induced phase transformation in microscale NiTi"
    W.S. Choi et al., Acta Mater. 208 (2021) 116731 | doi: 10.1016/j.actamat.2021.116731
  24. "Unlocking the origin of compositional fluctuations in InGaN light emitting diodes"
    T.P. Mishra et al., Phys. Rev. Mater. 5 (2021) 024605 | doi: 10.1103/PhysRevMaterials.5.024605
  25. "Effect of soft and hard inclusions in tensile deformation and damage mechanism of Aluminium: A molecular dynamics study"
    A. Rajput and S.K. Paul, J. Alloys Comp. 869 (2021) 159213 | doi: 10.1016/j.jallcom.2021.159213
  26. "Effect of symmetrical ⟨001⟩ tilt grain boundaries on the indentation induced plastic deformations of diamond"
    G. He et al., Mater. Design 202 (2021) 109549 | doi: 10.1016/j.matdes.2021.109549
  27. "Cyclic Plasticity of CoCrFeMnNi High-Entropy Alloy (HEA): A Molecular Dynamics Simulation"
    X. Du et al., Int. J. Applied Mech. 13 (2021) 2150006 | doi: 10.1142/S175882512150006X
  28. "Deciphering the interactions between single arm dislocation sources and coherent twin boundary in nickel bi-crystal"
    V. Samaee et al., Nature Commun. 12 (2021) 962 | doi: 10.1038/s41467-021-21296-z
  29. "Exploring the transfer of plasticity across Laves phase interfaces in a dual phase magnesium alloy"
    J. Guénolé et al., Materials & Design 202 (2021) 109572 | doi: 10.1016/j.matdes.2021.109572
  30. "Unprecedented combination of strength and ductility in laser welded NiCoCr medium entropy alloy joints"
    Z. Zhu et al., Mater. Science Engin. A 803 (2021) 140501 | doi: 10.1016/j.msea.2020.140501
  31. "Machining mechanism and deformation behavior of high-entropy alloy under elliptical vibration cutting"
    D.-Q. Doan et al., Intermetallics 131 (2021) 107079 | doi: 10.1016/j.intermet.2020.107079
  32. "Spreading behavior of AgCuTi/Cu at elevated temperatures: A molecular dynamics study"
    Y. Yang et al., J. Molec. Liquids 319 (2021) 114332 | doi: 10.1016/j.molliq.2020.114332
  33. "A novel method of determining interatomic potential for Al and Al-Li alloys and studying strength of Al-Al3Li interphase using evolutionary algorithms"
    S. Roy et al., Comput. Mater. Science 190 (2021) 110258 | doi: 10.1016/j.commatsci.2020.110258
  34. "A model to predict image formation in the three-dimensional field ion microscope"
    B. Klaes et al., Comput. Phys. Comm. 260 (2021) 107317 | doi: 10.1016/j.cpc.2020.107317
  35. "Revealing twinning from triple lines in nanocrystalline copper via molecular dynamics simulation and experimental observation"
    S. Liu et al., J. Mater. Res. Tech. 11 (2021) 342-350 | doi: 10.1016/j.jmrt.2021.01.033
  36. "Effect of voids on nanocrystalline gold ultrathin film"
    J. Liu et al., Comput. Mater. Science 189 (2021) 110255 | doi: 10.1016/j.commatsci.2020.110255
  37. "Influences of grain size, alloy composition, and temperature on mechanical characteristics of Si100-xGex alloys during indentation process"
    V-T. Pham and T-H. Fang, Mater. Science Semicond. Process. 123 (2021) 105568 | doi: 10.1016/j.mssp.2020.105568
  38. "Mitigating the Hall-Petch breakdown in nanotwinned Cu by amorphous intergranular films"
    J. Xiao and C. Deng, Scripta Mater. 194 (2021) 113682 | doi: 10.1016/j.scriptamat.2020.113682
  39. "Employing molecular dynamics to shed light on the microstructural origins of the Taylor-Quinney coefficient"
    R. Kositski and D. Mordehai, Acta Mater. 205 (2021) 116511 | doi: 10.1016/j.actamat.2020.116511
  40. "Dislocation core energies of the 0° perfect, 60° perfect, 30° partial, and 90° partial dislocations in CdTe, HgTe, and ZnTe: A molecular statics and elasticity theory analysis"
    N. Hew et al., Materials Today Commun. 26 (2021) 101949 | doi: 10.1016/j.mtcomm.2020.101949
  41. "Temperature-dependent deformation processes in two-phase TiAl + Ti3Al nano-polycrystalline alloys"
    P. Li et al., Materials & Design 199 (2021) 109422 | doi: 10.1016/j.matdes.2020.109422
  42. "Insight on the stability of polycrystalline natural gas hydrates by molecular dynamics simulations"
    Z. Zhang et al., Fuel 289 (2021) 119946 | doi: 10.1016/j.fuel.2020.119946
  43. "Wrinkle development in graphene sheets with patterned nano-protrusions: A molecular dynamics study"
    J. Varillas and O. Frank, Carbon 173 (2021) 301-310 | doi: 10.1016/j.carbon.2020.11.003
  44. "Theoretical and computational investigation on the radiation-induced point defects in cementite: Picosecond timescale"
    S.M. Zamzamian et al., J. Nuclear Mater. 543 (2021) 152582 | doi: 10.1016/j.jnucmat.2020.152582
  45. "Molecular dynamics and bio-synthesis of phoenix dactylifera mediated Mn3O4 nanoparticles: Electrochemical application"
    J. Sackey et al., J. Alloys Comp. 854 (2021) 156987 | doi: 10.1016/j.jallcom.2020.156987
  46. "Tuning flexoelectricty and electronic properties of zig-zag graphene nanoribbons by functionalization"
    T. Pandey et al., Carbon 171 (2021) 551-559 | doi: 10.1016/j.carbon.2020.09.028
  47. "The role of non-equilibrium grain boundary in micro-deformation and failure mechanisms of Bicrystal structural tungsten"
    P. Li et al., Int. J. Refrac. Metals Hard Mater. 94 (2021) 105376 | doi: 10.1016/j.ijrmhm.2020.105376
  48. "ACAT: A GPU-accelerated parallel code for constructing ultralarge Atomic Configurations with Arbitrary Texture"
    J.W. Huang et al., Comput. Mater. Science 186 (2021) 109997 | doi: 10.1016/j.commatsci.2020.109997
  49. "RSM and MD -a roughness predictive model and simulation comparison of monocrystalline optical grade silicon"
    L.N. Abdulkadir et al., Int. J. Adv. Manufac. Tech. 112 (2021) 437-451 | doi: 10.1007/s00170-020-06277-8
  50. "Intrinsic mechanical properties of monolayer nickel ditelluride: An atomistic study"
    Md F. Jamil et al., Comput. Condens. Matter 26 (2021) e00522 | doi: 10.1016/j.cocom.2020.e00522
  51. "Deformation inhomogeneity at the crack tip of polycrystalline copper"
    A. Rajput and S.K. Paul, Mater. Today Comm. 26 (2021) 101781 | doi: 10.1016/j.mtcomm.2020.101781
  52. 2020
  53. "Multiscale Modeling of Defect Phenomena in Platinum UsingMachine Learning of Force Fields"
    J. Chapman and R. Ramprasad, J. Miner. Metals Mater. Soc. 72 (2020) 4346-4348 | doi: 10.1007/s11837-020-04385-0
  54. "New accurate molecular dynamics potential function to model the phase transformation of cesium lead triiodide perovskite (CsPbI3)"
    S.S.I. Almishal and O. Rashwan, RSC Advances 10 (2020) 44503-44511 | doi: 10.1039/D0RA08434D
  55. "Deformation nanomechanics and dislocation quantification at the atomic scale in nanocrystalline magnesium"
    Md.S. Hasan et al., J. Magnes. Alloys 8 (2020) 1296-1303 | doi: 10.1016/j.jma.2020.08.014
  56. "Learning grain boundary segregation energy spectra in polycrystals"
    M. Wagih et al., Nature Comm. 11 (2020) 6376 | doi: 10.1038/s41467-020-20083-6
  57. "The formation and accumulation of radiation-induced defects and the role of lamellar interfaces in radiation damage of titanium aluminum alloy irradiated with Kr-ions at room temperature"
    H. Zhu et al., Acta Mater. 195 (2020) 654-667 | doi: 10.1016/j.actamat.2020.06.009
  58. "Deformation Behavior of Nanocrystalline Body-Centered Cubic Iron with Segregated, Foreign Interstitial: A Molecular Dynamics Study"
    A.T. AlMotasem et al., Materials 13 (2020) 5351 | doi: 10.3390/ma13235351
  59. "Molecular Dynamics Study on the Impact of Cu Clusters at the BCC-Fe Grain Boundary on the Tensile Properties of Crystal"
    H. Zhang et al., Metals 10 (2020) 1533 | doi: 10.3390/met10111533
  60. "The wetting characteristics of molten Ag–Cu–Au on Cu substrates: a molecular dynamics study"
    Y. Yang et al., Phys. Chem. Chem. Phys. 22 (2020) 25904-25917 | doi: 10.1039/D0CP03337E
  61. "Molecular Dynamics Study on Tip-Based Nanomachining: A Review"
    Z. Li et al., Nano. Res. Lett. 15 (2020) 201 | doi: 10.1186/s11671-020-03419-5
  62. "True origin of the size effect in cold-welded metallic nanocrystals"
    Y. Cui et al., Int. J. Mech. Sci. 187 (2020) 106102 | doi: 10.1016/j.ijmecsci.2020.106102
  63. "Effect of decomposition of chemically precipitated Al(OH)3 on nano silicon carbide experimental and reaxff molecular dynamic study"
    G. Erdogan, Mater. Today Comm. 25 (2020) 101683 | doi: 10.1016/j.mtcomm.2020.101683
  64. "Effects of grain boundary structures on primary radiation damage and radiation-induced segregation in austenitic stainless steel"
    J. Gao et al., J. Applied Phys. 128 (2020) 105304 | doi: 10.1063/5.0016404
  65. "Nanometric behaviour of monocrystalline silicon when single point diamond turned-a molecular dynamics and response surface methodology analysis"
    L. Abdulkadir et al., Engin. Res. Express 2 (2020) 035038 | doi: 10.1088/2631-8695/abb6dd
  66. "Predictive model for surface accuracy in ultra-high precision single point diamond machining of monocrystalline silicon using RSM and MD"
    L. Abdulkadir et al., Int. J. Comput. Mater. Sci. Surf. Engin. 9 (2020) 105-133 | doi: 10.1504/IJCMSSE.2020.109559
  67. "Nanocrystalline gold with small size: inverse Hall–Petch between mixed regime and super-soft regime"
    J. Liu et al., Philos. Mag. 100 (2020) 2335-2351 | doi: 10.1080/14786435.2020.1765039
  68. "The effect of strain rate on the deformation processes of NC gold with small grain size"
    J. Liu et al., Crystals 10 (2020) 858 | doi: 10.3390/cryst10100858
  69. "Molecular Dynamics Simulation on Creep Behavior of Nanocrystalline TiAl Alloy"
    F. Zhao et al., Nanomaterials 10 (2020) 1693 | doi: 10.3390/nano10091693
  70. "Wear-induced microstructural evolution of nanocrystalline aluminum and the role of zirconium dopants"
    Y. Shi and I. Szlufarska, Acta Mater. 200 (2020) 432-441 | doi: 10.1016/j.actamat.2020.09.005
  71. "Role of grain boundaries and substrate in plastic deformation of core–shell nanostructures"
    R.R. Santhapuram et al., J. Mater. Science 55 (2020) 16990-16999 | doi: 10.1007/s10853-020-05234-w
  72. "Electron localization governed plasticity in nanotwinned metals beyond the Hall-Petch type limit"
    J. Xiao et al., Mater. Science Engin. A 797 (2020) 140251 | doi: 10.1016/j.msea.2020.140251
  73. "Spreading behavior of AgCuTi/Cu at elevated temperatures: A molecular dynamics study"
    Y. Yang et al., J. Molec. Liquids 319 (2020) 114332 | doi: 10.1016/j.molliq.2020.114332
  74. "Elastic properties of nanocrystalline materials of hexagonal symmetry: The core-shell model and atomistic estimates"
    K. Kowalczyk-Gajewska et al., Int. J. Engin. Science 157 (2020) | doi: 10.1016/j.ijengsci.2020.103393
  75. "Experimental and Molecular Dynamic Study of Grain Refinement and Dislocation Substructure Evolution in HSLA and IF Steels after Severe Plastic Deformation"
    K. Muszka et al., Metals 20 (2020) 1122 | doi: 10.3390/met10091122
  76. "In situ atomistic observation of grain boundary migration subjected to defect interaction"
    Q. Zhu et al., Acta Mater. 199 (2020) 42-52 | doi: 10.1016/j.actamat.2020.08.021
  77. "Crystalline structure and grain boundary identification in nanocrystalline aluminum using K-means clustering"
    N. Amigo, Modell. Simul. Mater. Science Eng. 28 (2020) 065009 | doi: 10.1016/j.actamat.2020.08.021
  78. "Multi-scale numerical simulation of fracture behavior of nickel-aluminum alloy by coupled molecular dynamics and cohesive finite element method (CFEM)"
    J. Ding et al., Theoretical Appl. Fracture Mech. 109 (2020) 102735 | doi: 10.1016/j.tafmec.2020.102735
  79. "Selection and mechanical evaluation of γ/γ boundary in γ-TiAl alloy"
    J. Zhang et al., Intermatellics 126 (2020) 106946 | doi: 10.1016/j.intermet.2020.106946
  80. "Noise filtering in atomistic stress calculations for crystalline materials"
    M. Shi et al., J. Mech. Phys. Solids 144 (2020) 104083 | doi: 10.1016/j.jmps.2020.104083
  81. "Slip of low-angle tilt grain boundary (110) in FCC metals at perpendicular shear"
    E.V. Fomin and A.E. Mayer, Int. J. Plast. (2020) | doi: 10.1016/j.ijplas.2020.102843
  82. "Investigation on the mechanical properties and fracture phenomenon of silicon doped graphene by molecular dynamics simulation"
    Md.H. Rahman et al., RSC Advances 52 (2020) 31318 | doi: 10.1039/D0RA06085B
  83. "Grain boundary segregation beyond the dilute limit: Separating the two contributions of site spectrality and solute interactions"
    M. Wagih and C.A. Schuh, Acta Mater. 199 (2020) 63-72 | doi: 10.1016/j.actamat.2020.08.022
  84. "Phase Transition in Iron Thin Films Containing Coherent Twin Boundaries: A Molecular Dynamics Approach"
    B. Wang et al., Materials 135 (2020) 3631 | doi: 10.3390/ma13163631
  85. "Dynamics of edge dislocation in Cu–Ni solid solution alloys at atomic scale"
    I.A. Bryukhanov, Int. J. Plast. 135 (2020) 102834 | doi: 10.1016/j.ijplas.2020.102834
  86. "Ferroelasticity in MgSiO3 bridgmanite: Assessing the intrinsic structure and motion of (110) twin walls with atomic-scale simulations"
    P. Hirel et al., Scripta Mater. 188 (2020) 102-106 | doi: 10.1016/j.scriptamat.2020.07.016
  87. "Influence of rolling temperature on the structural evolution and residual stress generation of nanocrystalline Nickel during nano-rolling process"
    K.V. Reddy and S. Pal, Comput. Mater. Science 184 (2020) 209935| doi: 10.1016/j.commatsci.2020.109935
  88. "Atomistic simulations of precipitation hardening mechanisms in Mg-Al alloys"
    A. Moitra, J. Phys.: Conf. Series 1579 (2020) 012012 | doi: 10.1088/1742-6596/1579/1/012012
  89. "On the real-time atomistic deformation of nano twinned CrCoFeNi high entropy alloy"
    S. Yan et al., Nanotechnology 31 (2020) 385705 | doi: 10.1088/1361-6528/ab99ef
  90. "Effect of particle surface corrugation on colloidal interactions"
    T. Kämäräinen et al., J. Colloid Int. Science 579 (2020) 794-804 | doi: 10.1016/j.jcis.2020.06.082
  91. "Molecular Dynamics as a Means to Investigate Grain Size and Strain Rate Effect on Plastic Deformation of 316 L Nanocrystalline Stainless-Steel"
    A. Husain et al., Materials 13 (2020) 3223 | doi: 10.3390/ma13143223
  92. "Interaction of edge dislocation with copper atoms in an aluminum crystal"
    E.V. Fomin and V.S. Krasnikov, J. Phys: Conf. Series 1556 (2020) 012050 | doi: 10.1088/1742-6596/1556/1/012050
  93. "Atomistic Simulation of the Strain Driven Phase Transition in Pure Iron Thin Films Containing Twin Boundaries"
    Y. Jiang et al., Metals 10 (2020) 953 | doi: 10.3390/met10070953
  94. "Grain-size effect on plastic flow stress of nanolaminated polycrystalline aluminum/graphene composites"
    X. Zhou et al., Mech. Mater. 148 (2020) 103530 | doi: 10.1016/j.mechmat.2020.103530
  95. "Ab initio molecular dynamics description of proton transfer at water-tricalcium silicate interface"
    J. Claverie et al., Cement Concrete Res. 136 (2020) 106162 | doi: 10.1016/j.cemconres.2020.106162
  96. "Phonon traces in glassy vibrations"
    N.S. Shcheblanov et al., Phys. Rev. B 102 (2020) 024202 | doi: 10.1103/PhysRevB.102.024202
  97. "Mechanical properties of nanocrystalline aluminium: a molecular dynamics investigation"
    S. Subedi et al., Mol. Simul. 46 (2020) 898-904 | doi: 10.1080/08927022.2020.1788217
  98. "Fracture of void-embedded high-entropy-alloy films: A comprehensive atomistic study"
    Y. Cui et al., Materialia 12 (2020) 100790 | doi: 10.1016/j.mtla.2020.100790
  99. "The formation and accumulation of radiation-induced defects and the role of lamellar interfaces in radiation damage of titanium aluminum alloy irradiated with Kr-ions at room temperature"
    H. Zhu et al., Acta Mater. 195 (2020) 654-667 | doi: 10.1016/j.actamat.2020.06.009
  100. "Effects of grain size and indentation sensitivity on deformation mechanism of nanocrystalline tantalum"
    A.-S. Tran and T.-H. Fang, Int. J. Refract. Met. H. 92 (2020) 105304 | doi: 10.1016/j.ijrmhm.2020.105304
  101. "Vibrational and magnetic signatures of extended defects in Fe"
    R. Meyer et al., Eur. Phys. J. B 93 (2020) 116 | doi: 10.1140/epjb/e2020-10111-9
  102. "Influence of Temperature on Mechanical Properties of Nanocrystalline 316L Stainless Steel Investigated via Molecular Dynamics Simulations"
    A. Husain et al., Materials 13 (2020) 2803 | doi: 10.3390/ma13122803
  103. "Effects of grain and twin boundary on friction and contact characteristics of CuZrAl nanocrystallines"
    D.-Q. Doan et al., Applied Surf. Science 524 (2020) 146458 | doi: 10.1016/j.apsusc.2020.146458
  104. "Influences of grain size and temperature on tribological characteristics of CuAlNi alloys under nanoindentation and nanoscratch"
    D.-Q. Doan et al., Int. J. Mech. Sciences 185 (2020) 105865 | doi: 10.1016/j.ijmecsci.2020.105865
  105. "Complex strengthening mechanisms in the NbMoTaW multi-principal element alloy"
    X.-G. Li et al., Nature Comput. Mater. 6 (2020) 70 | doi: 10.1038/s41524-020-0339-0
  106. "Analysis of dislocation barriers formation and destruction in copper"
    R.P. Davlyatshin and P.S. Volegov, AIP Conf. Proc. 2216 (2020) 040003 | doi: 10.1063/5.0003396
  107. "Thermodynamics and Structural Properties of Ti3SiC2 in Liquid Lead Coolant"
    A. Arkundato et al., J. Phys.: Conf. Series 1493 (2020) 012026 | doi: 10.1088/1742-6596/1493/1/012026
  108. "High-throughput investigations of configurational-transformation-dominated serrations in CuZr/Cu nanolaminates"
    W.Y. Wang et al., J. Mater. Science Tech. 53 (2020) 192-199 | doi: 10.1016/j.jmst.2020.04.024
  109. "Deformation mechanisms of the subgranular cellular structures in selective laser melted 316L stainless steel"
    S. Kurian and R. Mirzaeifar, Mech. Mater. 148 (2020) 103478 | doi: 10.1016/j.mechmat.2020.103478
  110. "Experimental and theoretical study of tracer diffusion in a series of (CoCrFeMn)100-xNix alloys"
    J. Kottke et al., Acta Mater. 194 (2020) 236-248 | doi: 10.1016/j.actamat.2020.05.037
  111. "Nanocrystalline gold with small size: inverse Hall-Petch between mixed regime and super-soft regime"
    J. Liu et al., Philos. Mag. 100 (2020) 2335-2351 | doi: 10.1080/14786435.2020.1765039
  112. "Atomistic simulations of the interaction of basal dislocations with MgZn2 precipitates in Mg alloys"
    G. Esteban-Manzanares et al., Mater. Science Eng.: A 788 (2020) 139555 | doi: 10.1016/j.msea.2020.139555
  113. "Molecular Dynamics Simulation of Nanostructured Materials, An understanding of Mechanical Behaviour"
    S. Pal and B.C. Ray (2020) Boca Raton: CRC Press | ISBN: 9780429019845 | doi: 10.1201/9780429019845
  114. "Atomistic investigation on effect of Ca doping ratio on mechanical behaviors of nanocrystalline Mg-Ca alloys"
    F. Gao et al., J. Mol. Model. 26 (2020) 103 | doi: 10.1007/s00894-020-04361-0
  115. "Continuous strengthening in nanotwinned high-entropy alloys enabled by martensite transformation"
    J. Xiao and C. Deng, Phys. Rev. Materials 4 (2020) 043602 | doi: 10.1103/PhysRevMaterials.4.043602
  116. "Optimization and validation of a deep learning CuZr atomistic potential: Robust applications for crystalline and amorphous phases with near-DFT accuracy"
    C.M. Andolina et al., J. Chem. Phys. 152 (2020) 154701 | doi: 10.1063/5.0005347
  117. "Tension-Compression asymmetry of single-crystalline and nanocrystalline NiTi shape memory alloy: An atomic scale study"
    X. Chen et al., Mechanics Mater. 145 (2020) 103402 | doi: 10.1016/j.mechmat.2020.103402
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