相关论文: Continuum limits of atomistic energies allowing sm…
We consider a free-boundary and free-discontinuity energy connecting phase separation and fracture in an elastic material. The energy excludes the contribution of phase boundaries in the cracked region, providing a heuristic approximation…
We present the exact solution of the one-dimensional extended Hubbard model in the atomic limit within the Green's function and equation of motion formalism. We provide a comprehensive and systematic analysis of the model by considering all…
The self-interaction force of dislocation curves in metals depends on the local arrangement of the atoms and on the nonlocal interaction between dislocation curve segments. While these nonlocal segment-segment interactions can be accurately…
In this paper we construct and analyze a two-well Hamiltonian on a 2D atomic lattice. The two wells of the Hamiltonian are prescribed by two rank-one connected martensitic twins, respectively. By constraining the deformed configurations to…
Athermal (i.e. zero-temperature) under-constrained systems are typically floppy, but they can be rigidified by the application of external strain, which is theoretically well understood. Here and in the companion paper, we extend this…
We explore an extension of the $\Lambda$CDM model in which the pressure $p$ of the dark energy (DE) fluid evolves with the expansion of the Universe, expressed as a function of the scale factor $a$. The corresponding energy density $\rho$…
We derive exact results for the fluctuations in energy produced by microscopic disorder in near-crystalline athermal systems. Our formalism captures the heterogeneity in the elastic energy of polydispersed soft disks in energy-minimized…
We derive an energy-based continuum limit for $\varepsilon$-graphs endowed with a general connectivity functional. We prove that the discrete energy and its continuum counterpart differ by at most $O(\varepsilon)$; the prefactor involves…
Based on a microscopic model, we use a functional integral approach to evaluate the quantum interaction energy between two neutral atoms. Each atom is coupled to the electromagnetic (EM) field via a dipole term, generated by an electron…
Viscoelasticity and rate-dependent adhesion of soft matter lead to difficulties in modeling the 'relatively simple' problem of a rigid sphere in contact with a viscoelastic half-space. For this reason, approximations in describing surface…
We propose a simple approach, based on the minimization of the total (entropic plus unfolding) energy of a two-state system, describing the stretch-induced unfolding of macromolecules (proteins, silks, nanopolymers, DNA/RNA). The model is…
A constitutive relation between stress and strain relative to a reference state is the basic assumption of elasticity theory. However, in living matter, force generation is governed by motor molecule activity, which does not depend on…
We study the non-equilibrium dynamics of cold atoms held in an optical lattice potential. The expansion of an initially confined atom cloud occurs in two phases: an initial quadratic expansion followed by a ballistic behaviour at long…
The energy required to detach a single particle from a fluid-fluid interface is an important parameter for designing certain soft materials, for example, emulsions stabilised by colloidal particles, colloidosomes designed for targeted drug…
Analytical expressions for the elastic and dynamic form factors (FFs) are derived in the shell model (SM) with a potential well of finite depth. The consideration takes into account the motion of the target-nucleus center of mass (CM).…
When atoms are organized into a crystal, the single-electron energy levels of individual atoms form energy bands. However, there also exist electron-pair states in atoms. We found previously that the counterpart of these electron-pair…
We study the energy flow of dissipative dynamics on infinite lattices, allowing the total energy to be infinite and considering formally gradient dynamics. We show that in spatial dimensions 1,2, the flow is for almost all times arbitrarily…
Using the atomic force microscope based break junction approach, applicable to metal point contacts and single molecule junctions, measurements can be repeated thousands of times resulting in rich data sets characterizing the properties of…
We compute the conservative van-der-Waals forces between two atoms, one of which is initially excited, in the limit of identical atoms. Starting with the perturbative calculation of the interaction between two dissimilar atoms, we show that…
Thermodynamics and dynamics of a classical two-dimensional system with dipole-like isotropic repulsive interactions are studied systematically using extensive molecular dynamics (MD) simulations supplemented by appropriate theoretical…