相关论文: Extraordinary strain hardening from dislocation lo…
We use our recently proposed accelerated dynamics algorithm (Tiwary & van de Walle, 2011) to calculate temperature and stress dependence of activation free energy for surface nucleation of dislocations in pristine Gold nanopillars under…
We examine precipitate-induced dynamic strain aging in precipitation-hardened Al-Cu alloys by combining atomistic simulations, kinetic Monte Carlo, and analytical rate theory. Atomistic simulations were used to characterize (1) the…
This work examines the influence of thickness on the electrical transport properties of mechanically exfoliated two-dimensional SnSe$_2$ nanosheets, derived from the bulk single crystal. Contrary to conventional trend observed in…
Stone-Wales (SW) defects are favorably existed in graphenelike materials with honeycomb lattice structure and potentially employed to change the electronic properties in band engineering. In this paper, we investigate structural and…
The impact of twin boundaries (TBs) on the microstructure evolution and plastic deformation mechanisms of face-centered cubic (FCC) metals has been extensively studied since the discovery that nanotwinned materials exhibit a favorable…
In certain naturally aged aluminum alloys, significant strengthening can be obtained due to the decomposition of a super-saturated solid solution into clusters. The origins of such strengthening remain unclear due to the challenge of…
Superlattice (SL) thin films composed of refractory ceramics unite extremely high hardness and enhanced fracture toughness; a material combination often being mutually exclusive. While the hardness enhancement obtained whentwo materials…
The influence of various strains on crystal and electronic structures of superconducting FeSe has been studied ab initio. We consider changes in the Fermi surface nesting with a vector Q=(0.5,0.5)*(2\pi /a) as crucial for rising…
The future of space exploration and human settlement beyond Earth hinges on a deeper understanding of in space manufacturing processes. The unique physical conditions and scarcity of experimental data demand robust computational models to…
Deterministic enhancement of the superconducting (SC) critical temperature $T_c$ is a long-standing goal in material science. One strategy is engineering a material at the nanometer scale such that quantum confinement strengthens the…
Many printed electronic applications require strain-independent electrical properties to ensure deformation-independent performance. Thus, developing printed, flexible devices using 2D and other nanomaterials will require an understanding…
This work unravels the atomic details of the interaction of solute atoms with nanoscale crystalline defects. The complexity of this phenomenon is elucidated through detailed atom probe tomographic investigations on epitaxially-strained,…
Structural distortions in nano-materials can induce dramatic changes in their electronic properties. This situation is well manifested in graphene, a two-dimensional honeycomb structure of carbon atoms with only one atomic layer thickness.…
Using large-scale atomistic simulations, dislocation mechanics in the presence of linear complexions are investigated in an Fe-Ni alloy, where the complexions appear as nanoparticle arrays along edge dislocation lines. When mechanical shear…
Atomically thin two-dimensional semiconducting transition metal dichalcogenides (TMDs) can withstand large levels of strain before their irreversible damage occurs. This unique property offers a promising route for control of the optical…
Severe plastic deformation of powder blends consisting of SmCo5-Cu results in magnetically hardened nanocomposite bulk materials. The microstructure is continuously refined with increasing torsional deformation, yet, coercivity saturates at…
Unlike the tensile mode, compressive deformation of a bcc metallic nanostructure is mediated by the glide of screw dislocation. Although the bcc screw dislocations are well known to possess unusual attributes, it is still unclear how these…
When metals are plastically deformed, the total density of dislocations increases with strain as the microstructure is continuously refined, leading to the strain hardening behavior. Here we report the fundamental role played by the…
By using molecular dynamics simulations, the research examine how copper and silver nanowires respond to tensile loading in order to clarify their nanoscale deformation mechanisms. The results demonstrate that these two metal nanowires…
Excellent high-temperature mechanical properties of Ni-based single crystal superalloys (NSCSs) are attributed to the yield strength anomaly of Ni$_{3}$Al that is intimately related to generalized stacking fault energies (GSFEs). Therefore,…