相关论文: Strained tetragonal states and Bain paths in metal…
Recent progress in growth and characterization of thin-film VO$_2$ has shown its electronic properties can be significantly modulated by epitaxial matching. To throw new light on the concept of `Mott engineering', we develop a…
Active nematic models explain the topological defects and flow patterns observed in epithelial tissues, but the nature of active stress-whether it is extensile or contractile, a key parameter of the theory-is not well established…
Results of the first-principles calculations are presented for the group-VB metals V, Nb and Ta up to couple of megabar pressure. An unique structural phase transition sequence BCC-->(at 60 GPa) rhombohedral (angle=110.5 degree)-->(at ~ 160…
This paper provides an elementary introduction to the basic concepts used in describing epitaxial crystal growth in terms of the thermodynamics and kinetics of atomic steps. Selected applications to morphological instabilities of stepped…
We study numerically the minimum energy path and energy barriers for dislocation nucleation in a two-dimensional atomistic model of strained epitaxial layers on a substrate with lattice misfit. Stress relaxation processes from coherent to…
We investigate a driven two-channel system where particles on different lanes mutually obstruct each others motion extending an earlier model by Popkov and Peschel [1]. This obstruction may occur in biological contexts due to steric…
Transition metal spinel oxides comprised of Earth-abundant Mn and Co have long been explored for their use in catalytic reactions and energy storage. However, understanding of functional properties can be challenging due to differences in…
Transition metal dichalcogenide (TMD) monolayers and heterostructures have emerged as a compelling class of materials with transformative new science that may be harnessed for novel device technologies. These materials are commonly…
Classical percolation models predict the metal-insulator transition and the onset of the long-range ferromagnetic order at the same topological continuity threshold. We tested this prediction in thin films of ferromagnetic CoPd and found a…
Based on first-principles calculations, we find that LiZnBi, a metallic hexagonal $ABC$ compound, can be driven into a Dirac semimetal with a pair of Dirac points by strain. The nontrivial topological nature of the strained LiZnBi is…
Although Niobium is a well characterized material it still shows some anomalies that are not yet understood. Therefore we revisit its metastable phases using density functional theory. First, we systematically compare energies and ground…
A wide variety of biological as well as non-biological processes and phenomena involving ion channels, binding, pH, folding/unfolding and effects of chain length are well represented by multiphasic profiles, a series of straight lines…
Three different film systems have been systematically investigated to understand the effects of strain and substrate constraint on the phase transitions of perovskite films. In SrTiO$_3$ films, the phase transition temperature T$_C$ was…
We consider a sharp interface kinetic model of phase transitions accompanied by elastic strain, together with its phase-field realization. Quantitative results for the steady-state growth of a new phase in a strip geometry are obtained and…
Epitaxial strain imposed in complex oxide thin films by heteroepitaxy is recognized as a powerful tool for identifying new properties and exploring the vast potential of materials performance. A particular example is LaCoO3, a zero spin,…
We study the necking dynamics of a filament of complex fluid or soft solid in uniaxial tensile stretching at constant imposed Hencky strain rate $\dot\varepsilon$, by means of linear stability analysis and nonlinear (slender filament)…
We investigate a model for driven exclusion processes where internal states are assigned to the particles. The latter account for diverse situations, ranging from spin states in spintronics to parallel lanes in intracellular or vehicular…
Using ab-initio density functional theory we study the role of interstitial hydrogen on the energetics of the phase transformation of iron from bcc to hcp along Bain's pathway. The impurity creates an internal stress field that can be…
The experimentally measured resistivity of Co(0001) and Ru(0001) single crystal thin films, grown on c-plane sapphire substrates, as a function of thickness is modeled using the semiclassical model of Fuchs-Sondheimer. The model fits show…
Phase fluctuations in finite thickness layered superconducting films are studied theoretically. The model consists of a set of layers, coupled to each other via a gradient-like term in the phase-only action. It is shown that the effective…