Atomsk

The Swiss-army knife of atomic simulations

Citations

If you use Atomsk in your work, the citation of the following article will be greatly appreciated:


Atomsk was cited in the following published works. Many thanks to their authors!

    2021
  1. "Sintering mechanism of calcium oxide/calcium carbonate during thermochemical heat storage process"
    X.K. Tian et al., Chem. Engin. J. (accepted) | doi: 10.1016/j.cej.2021.131229
  2. "Correlation between complexity and mechanical recovery of metallic nanoarchitecture structures"
    H. Ke et al., MRS Commun. (accepted) | doi: 10.1557/s43579-021-00065-5
  3. "Strontium Stannate as an Alternative Anode Material for Li-Ion Batteries"
    Y.A. Zulueta et al., J. Phys. Chem. C (accepted) | doi: 10.1021/acs.jpcc.1c02652
  4. "Description of grain boundary structure and topology in nanocrystalline aluminum using Voronoi analysis and order parameter"
    A. Żydek et al., Comput. Mater. Science 197 (2021) 110660 | doi: 10.1016/j.commatsci.2021.110660
  5. "Microscopic and macroscopic analyses of the interaction mechanism between defect growth and dislocation emission in single-crystal aluminum"
    X. Li et al., Fatigue Fract. Engin. Mater. Struct. (accepted) | doi: 10.1111/ffe.13537
  6. "Molecular Dynamics Simulation of Nanomachining Mechanism between Monocrystalline and Polycrystalline Silicon Carbide"
    B. Liu et al., Adv. Theory Simul. (accepted) | doi: 10.1002/adts.202100113
  7. "Atomistic simulation of crack propagation in CNT reinforced nanocrystalline aluminum under uniaxial tensile loading"
    P.N. Babu et al., Philos. Mag. (accepted) | doi: 10.1080/14786435.2021.1948132
  8. "Microstructure and composition dependence of mechanical characteristics of nanoimprinted AlCoCrFeNi high-entropy alloys"
    D.-Q. Doan et al., Scientific Reports 11 (2021) 13680 | doi: 10.1038/s41598-021-93272-y
  9. "Molecular dynamics simulation of nanocrack propagation mechanism of polycrystalline titanium under tension deformation in nanoscale"
    J. Li et al., Mater. Today Commun. 26 (2021) 101837 | doi: 10.1016/j.mtcomm.2020.101837
  10. "Structural modelling and mechanical behaviors of graphene/carbon nanotubes reinforced metal matrix composites via atomic-scale simulations: A review"
    C. Qiu et al., Composites Part C: Open Access 4 (2021) 100120 | doi: 10.1016/j.jcomc.2021.100120
  11. "Anisotropic thermal conductivity in Li2TiO3 ceramic breeder materials"
    M. Sanjeev et al., Fusion Engin. Design (accepted) | doi: 10.1016/j.fusengdes.2021.112710
  12. "Hugoniot States and Mie-Grüneisen Equation of State of Iron Estimated Using Molecular Dynamics"
    Y. Wang et al., Crystals 11 (2021) 664 | doi: 10.3390/cryst11060664
  13. "Towards the ultimate strength of iron: spalling through laser shock"
    G. Righi et al., Acta Mater. 215 (2021) 117072 | doi: 10.1016/j.actamat.2021.117072
  14. "Atomistic study of shock Hugoniot in columnar nanocrystalline copper"
    J. Hu and Z. Chen, Comput. Mater. Sci. 197 (2021) 110635 | doi: 10.1016/j.commatsci.2021.110635
  15. "Effect of growth twins on strength and microstructural evolution of nanocrystalline aluminum"
    Y. Shi and I. Szlufarska, J. Mater. Sci. 56 (2021) 14587-14597 | doi: 10.1007/s10853-021-06220-6
  16. "Local damage in grain boundary stabilized nanocrystalline aluminum"
    W. Ye et al., Mater. Lett. 300 (2021) 130153 | doi: 10.1016/j.matlet.2021.130153
  17. "Diffusion in doped and undoped amorphous zirconia"
    M.W. Owen et al., J. Nucl. Mater. 555 (2021) 153108 | doi: 10.1016/j.jnucmat.2021.153108
  18. "Nucleation of twinning dislocation loops in fcc metals"
    S. Kumari and A. Dutta, Mech. Mater. 160 (2021) 103934 | doi: 10.1016/j.mechmat.2021.103934
  19. "Flexoelectricity and transport properties of phosphorene nanoribbons undermechanical bending"
    T. Pandey et al., Phys. Rev. B 103 (2021) 235406 | doi: 10.1103/PhysRevB.103.235406
  20. "Influence of θ' Phase Cutting on Precipitate Hardening of Al-Cu Alloy during Prolonged Plastic Deformation: Molecular Dynamics and Continuum Modeling"
    V.S. Krasnikov et al., Appl. Sci. 11 (2021) 4906 | doi: 10.3390/app11114906
  21. "Micro-mechanical response of ultrafine grain and nanocrystalline tantalum"
    W. Yang et al., J. Mater. Res. Tech. 12 (2021) 1804-1815 | doi: 10.1016/j.jmrt.2021.03.080
  22. "Stacking fault and transformation-induced plasticity in nanocrystalline high-entropy alloys"
    J. Xiao et al., J. Mater. Res. (accepted) | doi: 10.1557/s43578-021-00140-6
  23. "Atomic insights on intermixing of nanoscale nitride multilayer triggered by nanoindentation"
    Z. Chen et al., Acta Mater. 214 (2021) 117004 | doi: 10.1016/j.actamat.2021.117004
  24. "Computational Study on Surface Bonding Based on Nanocone Arrays"
    X. Song et al., Nanomater. 11 (2021) 1369 | doi: 10.3390/nano11061369
  25. "Shear-strain induced structural relaxation of Cu Σ3 [110](112) symmetric tilt grain boundary: The role of foreign atoms and temperature"
    Y. Li et al., Curr. Appl. Phys. 28 (2021) 19-25 | doi: 10.1016/j.cap.2021.04.024
  26. "Laves phase crystal analysis (LaCA): Atomistic identification of lattice defects in C14 and C15 topologically close-packed phases"
    Z. Xie et al., J. Mater. Res. 36 (2021) 2010-2024 | doi: 10.1557/s43578-021-00237-y
  27. "Nature of creep deformation in nanocrystalline cupronickel alloy: A Molecular Dynamics study"
    Md.H. Rahman et al., Results Mater. 10 (2021) 100191 | doi: 10.1016/j.rinma.2021.100191
  28. "Theoretical analysis of high strength and anti-buckling of three-dimensional carbon honeycombs under shear loading"
    S. Zhang et al., Composites Part B: Engin. 219 (2021) 108967 | doi: 10.1016/j.compositesb.2021.108967
  29. "A novel theoretical model for predicting the optimum number of layers of multiwall carbon nanotube for reinforcing iron and molecular dynamics investigation of the failure mechanism of multi-grained matrix"
    R. Ishraaq et al., Comput. Mater. Science 196 (2021) 110558 | doi: 10.1016/j.commatsci.2021.110558
  30. "Strengthening effects of penetrating twin boundary and phase boundary in polycrystalline diamond"
    B. Yang et al., Diamond Relat. Mater. 117 (2021) 108436 | doi: 10.1016/j.diamond.2021.108436
  31. "Influence of point defects and grain boundaries on plasticity and phase transition in uniaxially-compressed iron"
    N. Amadou et al., Comput. Condens. Matter 27 (2021) e00560 | doi: 10.1016/j.cocom.2021.e00560
  32. "Phase field dislocation dynamics (PFDD) modeling of non-Schmid behavior in BCC metals informed by atomistic simulations"
    H. Kim et al., J. Mech. Phys. Solids 152 (2021) 104460 | doi: 10.1016/j.jmps.2021.104460
  33. "Molecular Dynamics Simulation of High-Temperature Creep Behavior of Nickel Polycrystalline Nanopillars"
    X. Xu et al., Molecules 26 (2021) 2606 | doi: 10.3390/molecules26092606
  34. "On the migration of {332}⟨110⟩ tilt grain boundary in bcc metals and further nucleation of {112} twin"
    N. Kvashin et al., Comput. Mater. Science 196 (2021) 110509 | doi: 10.1016/j.commatsci.2021.110509
  35. "Site dependence of surface dislocation nucleation in ceramic nanoparticles"
    J. Amodeo et al., npj Comput. Mater. 7 (2021) 60 | doi: 10.1038/s41524-021-00530-8
  36. "Solid solution hardening in CrMnFeCoNi-based high entropy alloy systems studied by a combinatorial approach"
    T. Keil et al., J. Mater. Research (accepted) | doi: 10.1557/s43578-021-00205-6
  37. "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
  38. "Deformation and ductile fracture of nanocrystalline gold ultrathin nanoribbon: Width effect"
    J. Liu et al., Fatigue Fract. Engin. Mater. Struct. 44 (2021) 1850-1861 | doi: 10.1111/ffe.13469
  39. "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
  40. "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
  41. "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
  42. "Spin-lattice model for cubic crystals"
    P. Nieves et al., Phys. Rev. B 103 (2021) 094437 | doi: 10.1103/PhysRevB.103.094437
  43. "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
  44. "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
  45. "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
  46. "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
  47. "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
  48. "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
  49. "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
  50. "Mechanical creep instability of nanocrystalline methane hydrates"
    P. Cao et al., Phys. Chem. Chem. Phys. 23 (2021) 3615-3626 | doi: 10.1039/D0CP05896C
  51. "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
  52. "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
  53. "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
  54. "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
  55. "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
  56. "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
  57. "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 27 (2021) 365-384 | doi: 10.1017/S1431927621000131
  58. "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
  59. "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
  60. "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
  61. "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
  62. "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
  63. "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
  64. "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
  65. "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
  66. "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
  67. "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
  68. "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
  69. "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
  70. "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
  71. "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
  72. "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
  73. "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
  74. "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
  75. "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
  76. "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
  77. "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
  78. "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
  79. "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
  80. "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
  81. "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
  82. "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
  83. "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
  84. "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
  85. "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
  86. "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
  87. "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
  88. 2020
  89. "Multiscale Modeling of Defect Phenomena in Platinum Using Machine 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
  90. "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
  91. "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
  92. "Learning grain boundary segregation energy spectra in polycrystals"
    M. Wagih et al., Nature Comm. 11 (2020) 6376 | doi: 10.1038/s41467-020-20083-6
  93. "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
  94. "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
  95. "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
  96. "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
  97. "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
  98. "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
  99. "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
  100. "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
  101. "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
  102. "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
  103. "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
  104. "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
  105. "Molecular Dynamics Simulation on Creep Behavior of Nanocrystalline TiAl Alloy"
    F. Zhao et al., Nanomaterials 10 (2020) 1693 | doi: 10.3390/nano10091693
  106. "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
  107. "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
  108. "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
  109. "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
  110. "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
  111. "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
  112. "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
  113. "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
  114. "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
  115. "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
  116. "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
  117. "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
  118. "Investigation on the mechanical properties and fracture phenomenon of silicon doped graphene by molecular dynamics simulation"
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