相关论文: Random-walk shielding-potential viscosity model fo…
In this work, the elastic and thermodynamic properties of Pt$_{3}$Al under high pressure are investigated using density functional theory within the generalized gradient approximation. The results of bulk modulus and elastic constants at…
Accurate modeling of sea ice dynamics is critical for predicting environmental variables and is important in applications such as navigating ice breaker ships. Research for both modeling and simulating sea ice dynamics is ongoing, with the…
We consider the possibility of formation of an unconventional spin density wave (USDW) in quasi-one dimensional electronic systems. In analogy with unconventional superconductivity, we develop a mean field theory of SDW allowing for the…
We develop a powerful yet simple method that generates multifractal fields with fully controlled scaling properties. Adopting the Multifractal Random Walk (MRW) model of Bacry et al. (2001), synthetic multifractal fields are obtained from…
An analytical framework is proposed to describe the elasticity, viscosity and fragility of metallic glasses in relation to their atomic-level structure and the effective interatomic interaction. The bottom-up approach starts with forming an…
We present a review of the Non-additive Stochastic Model for supercooled liquids (NSM), an efficient approach for diffusive processes that provides a suitable interpretation for the non-Arrhenius dynamics in these materials. Based on a…
A new formulation of the Kubo-Greenwood conductivity for average atom models is given. The new formulation improves upon previous by explicitly including the ionic-structure factor. Calculations based on this new expression lead to much…
The goal of this study is to introduce a unified computational framework for simulating random iteration equations (RIE), understood as iteration equations containing random variables. The novelty of this work is that full probability…
A simplistic model, based on the concept of anankeon, is proposed to predict the value of the viscosity of a material in its liquid phase. As a result, within the simplifications and hypothesis made to define the model, it is possible to…
We report on an extensive study of the viscosity of liquid water at near-ambient conditions, performed within the Green-Kubo theory of linear response and equilibrium ab initio molecular dynamics (AIMD), based on density-functional theory…
The DFT/vdW-WF2s1 method, recently developed to include the van der Waals interactions in the Density Functional Theory and describe adsorption processes on metal surfaces by taking metal-screening effects into account, is applied to the…
The free-free opacity in dense systems is a property that both tests our fundamental understanding of correlated many-body systems, and is needed to understand the radiative properties of high energy-density plasmas. Despite its importance,…
Warm dense matter (WDM) is an active field of research, with applications ranging from astrophysics to inertial confinement fusion. Ionization degree and continuum lowering are important quantities to understand how materials behave under…
We use theory and simulations to investigate the existence of amorphous glassy states in ultrasoft colloids. We combine the hyper-netted chain approximation with mode-coupling theory to study the dynamic phase diagram of soft repulsive…
High-dimensional limit theorems have been shown useful to derive tuning rules for finding the optimal scaling in random-walk Metropolis algorithms. The assumptions under which weak convergence results are proved are however restrictive: the…
A microscopic model able to describe simultaneously the dynamic viscosity and the self-diffusion coefficient of fluids is presented. This model is shown to emerge from the introduction of fractional calculus in a usual model of condensed…
Dense particle suspensions are promising candidates for next-generation Concentrated Solar Power (CSP) receivers, enabling operating temperatures above 800 degrees C. However, accurate modeling of the rheological behavior of granular flows…
We describe an efficient Monte Carlo algorithm using a random walk in energy space to obtain a very accurate estimate of the density of states for classical statistical models. The density of states is modified at each step when the energy…
Recently, we have revealed an intrinsic instability of metals due to surface plasma waves (SPWs) and raised the prospect of using it to create lossless SPWs. The counter-intuitive nature of this finding prompts one to ask, why had not this…
Laser spectroscopy of hot atomic vapours has been studied extensively. Theoretical models that predict the absolute value of the electric susceptibility are crucial for optimising the design of photonic devices that use hot vapours, and for…