相关论文: Lattice Stability for Atomistic Chains Modeled by …
The local variation in inter-atomic distances, or local lattice strain often influences significantly material properties of nanoparticles. Strain measurement with ~1% precision is provided by recent atomic-resolution electron microscopy.…
Locked intrinsic localized modes (ILMs) and large amplitude lattice spatial modes (LSMs) have been experimentally measured for a driven 1-D nonlinear cyclic electric transmission line, where the nonlinear element is a saturable capacitor.…
We introduce an assisted exchange model (AEM) on a one dimensional periodic lattice with (K+1) different species of hard core particles, where the exchange rate depends on the pair of particles which undergo exchange and their immediate…
A method for the calculation of elastic constants in the NVT ensamble, using molecular dynamics (MD) simulation with a realistic many-body embedded-atom-model (EAM) potential, is studied in detail. It is shown that in such NVT MD…
Concrete is the most widely used construction material worldwide; however, reliable prediction of compressive strength remains challenging due to material heterogeneity, variable mix proportions, and sensitivity to field and environmental…
Fermionic atoms in two different hyperfine states confined in optical lattices show strong commensurability effects due to the interplay between the atomic density wave (ADW) ordering and the lattice potential. We show that spatially…
In the first part of our theoretical study of correlated atomic wires on substrates, we introduced lattice models for a one-dimensional quantum wire on a three-dimensional substrate and their approximation by quasi-one-dimensional effective…
We study the static properties of a semiflexible polymer exposed to a quenched random environment by means of computer simulations. The polymer is modeled as two-dimensional Heisenberg chain. For the random environment we consider hard…
Successful scientific applications of large-scale molecular dynamics often rely on automated methods for identifying the local crystalline structure of condensed phases. Many existing methods for structural identification, such as Common…
We propose a lattice density-functional theory for {\it ab initio} quantum chemistry or physics as a route to an efficient approach that approximates the full configuration interaction energy and orbital occupations for molecules with…
Recently, a new connection between density functional theory and kinetic theory has been proposed. In particular, it was shown that the Kohn-Sham (KS) equations can be reformulated as a macroscopic limit of the steady-state solution of a…
Atomic correlations in a simple liquid in steady-state flow under shear stress were studied by molecular dynamics simulation. The local atomic level strain was determined through the anisotropic pair-density function (PDF). The atomic level…
We explore the use of first and second order same-time atomic spatial correlation functions as a diagnostic for probing the small scale spatial structure of atomic samples trapped in optical lattices. Assuming an ensemble of equivalent…
We describe a lattice-based crystallographic approximation for the analysis of distorted crystal structures via Electron Backscatter Diffraction (EBSD) in the scanning electron microscope. EBSD patterns are closely linked to local lattice…
A light-weight "inflatable" tensioned-membrane-structure vacuum container is proposed and its stability is analyzed. The proposed structure consists of a pressurized lobed cylindrical "wall" surrounding a central evacuated space. Stability…
Embed-to-control (E2C) is a model for solving high-dimensional optimal control problems by combining variational auto-encoders with locally-optimal controllers. However, the E2C model suffers from two major drawbacks: 1) its objective…
Critical behavior developed near a quantum phase transition, interesting in its own right, offers exciting opportunities to explore the universality of strongly-correlated systems near the ground state. Cold atoms in optical lattices, in…
We derive equations for the strongly coupled system of light and dense atomic ensembles. The formalism includes an arbitrary internal level structure for the atoms and is not restricted to weak excitation of atoms by light. In the low light…
We discuss various aspects of a local-to-global embedding technique and the metric geometry of stable metric spaces and of two of its important subclasses: locally finite spaces and proper spaces. We explain how the barycentric gluing…
Synthetic dimensions provide a powerful approach for simulating condensed matter physics in cold atoms and photonics, whereby a set of discrete degrees of freedom are coupled together and re-interpreted as lattice sites along an artificial…