All Stories

  1. Machine-learning and high-throughput studies for high-entropy materials
  2. Using a functional C84 monolayer to improve the mechanical properties and alter substrate deformation
  3. Correction: Using a functional C84 monolayer to improve the mechanical properties and alter substrate deformation
  4. Microyielding of Core-Shell Crystal Dendrites in a Bulk-metallic-glass Matrix Composite
  5. Mechanical and structural properties of helical and non-helical silica nanowire
  6. Corrigendum to: “Mechanical and structural properties of helical and non-helical silica nanowire” [Comput. Mater. Sci. 82 (2014) 165–171]
  7. Investigation into the formation of 13-6 helical multi-shell gold nanowires
  8. Investigation of the fracture mechanism of Cu–Al gradient structure
  9. Influence of oriented topological defects on the mechanical properties of carbon nanotube heterojunctions
  10. Dissipative Particles Dynamics Model for Polymer Nanocomposites
  11. Investigation into the mechanical properties of single-walled carbon nanotube heterojunctions
  12. Effect of Au nanotube size on molecular behavior of water/ethanol mixtures
  13. Effects of Cs adsorption on the field emission characteristics of closed single-walled carbon nanotubes
  14. Diffusion of the vacancy defect leading to the formation of multi-shell structures in the nanowire and nanobridge
  15. Plastic Deformation of a Nano-Precipitate Strengthened Ni-Base Alloy Investigated by Complementary In Situ Neutron Diffraction Measurements and Molecular-Dynamics Simulations
  16. Helical multi-shell structures in gold nanobridge and suspending nanowire
  17. Target Molecular Simulations of RecA Family Protein Filaments
  18. Binding hot-spots in an antibody–ssDNA interface: a molecular dynamics study
  19. The Mechanism of O2 Adsorption and O2 Dissociation on W(111) Surface: A Density Functional Theory Study
  20. Carbon-nanotube-based artificial peptide channel: Transportation of small peptide under external electric field force
  21. Mechanism of local stress release in armchair single-wall zinc oxide nanotube under tensile loading
  22. Structure-dependent mechanical properties of ultrathin zinc oxide nanowires
  23. The Scratch Behaviors of Copper Bi-Layers by a Diamond Tip: A Molecular Statics Study
  24. Adsorption and Dissociation of the O2 on W(111) Surface: A Density Functional Theory Study
  25. The Interfacial Behavior of Water/PMMA Thin Film Under Normal Compression
  26. Hydrogen-Bond Structure at the Interfaces between Water/Poly(methyl methacrylate), Water/Poly(methacrylic acid), and Water/Poly(2-aminoethylmethacrylamide)
  27. Electronic properties of a silicon carbide nanotube under uniaxial tensile strain: a density function theory study
  28. Dynamical Property of Water Droplets of Different Sizes Adsorbed onto a Poly(methyl methacrylate) Surface
  29. Penetration and Adsorption of a Water Droplet Causing Local Deformation of the Poly(methyl methacrylate) Surface
  30. Modeling of the polyethylene and poly(L-lactide) triblock copolymer: A dissipative particle dynamics study
  31. Chain-length and tacticity effects on the conformational behavior of MMA-oligomer thin films on an Au (111) substrate
  32. Effect of Surface Structure on the Dynamical Behavior of an Aromatic Carboxylic Acid Molecule on Au Surfaces
  33. Combined Molecular Dynamics and Dissipative Particle Dynamics to Study of the Microstructure of Poly(L-lactide)/Polyethylene Blends
  34. Temperature Effect on the Dynamic Behavior of Tricarboxylic Acid Derivatives in Two-Dimensional Network Structures
  35. Conformations of PMMA Thin Films on an Au (111) Substrate: Chain-Length and Tacticity Effects
  36. Mechanical and dynamical behavior of carbon nanotube with defects:A molecular dynamics simulation
  37. A Molecular Dynamics Study of Nanoindentation on a Methyl Methacrylate Ultrathin Film on a Au(111) Substrate: Interface and Thickness Effects
  38. Lock and key behaviours of an aromatic carboxylic acid molecule with differing conformations on an Au (111) surface
  39. Phonon spectra in ultrathin gold nanowire under stretching
  40. Adsorption of water molecules inside a Au nanotube: A molecular dynamics study
  41. Adsorption mechanism of water molecules surrounding Au nanoparticles of different sizes
  42. Investigation of the adsorption mechanism of water nanocluster on the substrate: The size and interaction strength effect
  43. An investigation into the axial deformation of helical multi-shell gold nanowires
  44. Modeling of polyethylene and poly (L-lactide) polymer blends and diblock copolymer: Chain length and volume fraction effects on structural arrangement
  45. Molecular Dynamics Investigation into the Effect of Temperature on the Structure and Properties of Methyl Methacrylate Thin Films on a Au(111) Surface
  46. Structure and dynamics of water surrounding the poly(methacrylic acid): A molecular dynamics study
  47. Dynamic behaviour of multi-shell 14-7-1 gold nanowire under different axial tensile strains
  48. Molecular dynamics simulation of the dynamical behaviors of an aromatic carboxylic acid molecule with different conformations on a Au (111) surface
  49. The behavior of water molecules nanoconfined between parallel Au plates
  50. The Investigation of the Self-Assembly of Crossed Multi-Shell Gold Nanowires
  51. The Investigation of the Self-Assembly of Crossed Multi-Shell Gold Nanowires
  52. Hydrogen-bond dynamics of interior and surface molecules in a water nanocluster: temperature and size effects
  53. Strain rate effect on tensile behavior of the helical multi-shell gold nanowires
  54. Dynamical behaviour of 7-1 gold nanowire under different axial tensile strains
  55. Temperature Effect on Tensile Behavior of Helical Multi-Shell Gold Nanowires
  56. Temperature Effect on Tensile Behavior of Helical Multi-Shell Gold Nanowires
  57. Mechanical behavior of gold nanowires with a multishell helical structure
  58. A molecular dynamics study of the tensile behaviour of ultrathin gold nanowires