相关论文: Temperature dependence of surface stress across an…
The influence of alternating shear orientation and strain amplitude of cyclic loading on yielding in amorphous solids is investigated using molecular dynamics simulations. The model glass is represented via a binary mixture that was rapidly…
Heating a long-range ordered adsorbate phase beyond its stability temperature does not necessarily result in a disordered phase, it can also break up into heavily fluctuating ordered domains. Temporal and/or spatial averaging over these…
In complex oxide heteroepitaxy, strain engineering is a powerful tool to obtain phases in thin films that may be otherwise unstable in bulk. A successful example of this approach is mixed phase bismuth ferrite (BiFeO3) epitaxial thin films.…
A general self-learning metabasin escape (SLME) algorithm~\citep{caoPRE2012} is coupled in this work with continuous shear deformations to probe the yield stress as a function of strain rate and temperature for a binary Lennard-Jones (LJ)…
We explore an efficient way to numerically evaluate the response of the surface stress of a metal to changes in its superficial charge density by analysis of the strain-dependence of the work function of the uncharged surface. As an…
Using low-energy electron diffraction, we show that the room-temperature $(\sqrt{2}\times\sqrt{2})R45^\circ$ reconstruction of Fe$_3$O$_4$(100) reversibly disorders at $\sim$450 $^\circ$C. Short-range order persists above the transition,…
A theoretical study on low-temperature structural phase transitions is presented, in which both phonon-like and relaxation order-parameter dynamics are contemplated. While the first limiting case has been considered previously, the second…
Strontium titanate is a classic quantum paraelectric oxide material that has been widely studied in bulk and thin films. It exhibits a well-known cubic-to-tetragonal antiferrodistortive phase transition at 105 K, characterized by the…
The phase transition into the ferroelectric phase in barium titanate occurs in many stages with the appearance of nonlinear phenomena. The mixed nature of the transition: displacive and order-disorder type, causes the occurrence of a…
For a tetragonal material, order parameters of $p_x$ and $p_y$ symmetry are related by rotation and hence have the same $T_{\rm c}$ at a mean-field level. This degeneracy can be lifted by a symmetry-breaking field, like (uniaxial) in-plane…
First-principles calculations are used to calculate the strain dependencies of the binding and diffusion-activation energies for Ge adatoms on both Si(001) and Ge(001) surfaces. Our calculations reveal that the binding and activation…
Oxygen vacancy formation energy is an important quantity for enabling fast oxygen diffusion and oxygen catalysis in technologies like solid oxide fuel cells. Both previous literature in various systems and our calculations in LaMnO3,…
We perform micro-photoluminescence and Raman experiments to examine the impact of biaxial tensile strain on the optical properties of WS2 monolayers. A strong shift on the order of -130 meV per % of strain is observed in the neutral exciton…
A combination of micro-Raman spectroscopy and micro-XPS (X-ray photo-electron spectroscopy) mapping on statically deflected p-type silicon cantilevers is used to study the mechanical stress dependence of the Fermi level pinning at an…
The equilibrium shapes of InAs quantum dots (i.e., dislocation-free, strained islands with sizes >= 10,000 atoms) grown on a GaAs (001) substrate are studied using a hybrid approach which combines density functional theory (DFT)…
The process of structural relaxation in disordered solids subjected to repeated tension-compression loading is studied using molecular dynamics simulations. The binary glass is prepared by rapid cooling well below the glass transition…
Searching for characteristic signatures of a higher order phase transition (specifically of order three or four), we have calculated the spatial profiles and the energies of a spatially varying order parameter in one dimension. In the case…
The magnetic order-disorder layering transitions of a spin-1 Ising model are investigated, under the effect of a variable surface crystal field $\Delta_{s}$, using the mean field theory. Each layer $k$, of the film formed with $N$ layers,…
To examine the microstructural evolution that occurs during transient creep, we deformed olivine aggregates to different strains that spanned the initial transient deformation. Two sets of samples with different initial grain sizes of 5…
A magnetite (Fe3O4) single crystal (111) surface has been studied at various oxygen-iron surface stoichiometries. The stoichiometry was modified by controlling the in-situ sample anneal conditions. We have found the conditions that lead to…