Related papers: Understanding long-time vacancy aggregation in iro…
Impurity diffusion coefficients are entirely obtained from a low cost classical molecular statics technique (CMST). In particular, we show how the CMST is appropriate in order to describe the impurity diffusion behavior mediated by a…
We consider a chain of trapped ions to interact with each other via long-range interactions. This system can be used to simulate the long-range Ising model. We study the dynamics of quantum coherence of a single spin in the chain, where the…
Many of the purported virtues of Multi-Principal Element Alloys (MPEAs), such as corrosion, high-temperature oxidation and irradiation resistance, are highly sensitive to vacancy diffusivity. Similarly, solute interdiffusion is governed by…
TiO2 is a technologically important material. In particular, its anatase polymorph plays a major role in photocatalysis, which can also accommodate charged and neutral vacancies. There is, however, scant theoretical work on the vacancy…
In this study, the influence of pure dislocation and hydrogen-dislocation interactions on anelastic response or internal friction relaxation peaks in bcc-iron was investigated. These relaxations are primarily governed by thermally activated…
We present a first principles investigation of strain-driven vacancy clustering in aluminum. Specifically, we perform Kohn-Sham density functional theory calculations to study the influence of hydrostatic strains on clustering in tri-,…
Patient-centered outcomes, such as quality of life and length of hospital stay, are the focus in a wide array of clinical studies. However, participants in randomized trials for elderly or critically and severely ill patient populations may…
Relaxation in the time correlation between operators is studied. Quantized chaotic systems are shown to have distinct relaxation fluctuations that are universal and can be usefully modelled by Random Matrix Theory. Various quantized maps…
The potential energy surface (PES) of Lennard-Jones clusters is investigated using the activation-relaxation technique (ART). This method defines events in the configurational energy landscape as a two-step process: (a) a configuration is…
In this paper, numerical simulations of four-mode continuous-variable cluster states with different topologies in the framework of measurement-based quantum computation are presented. By utilizing the symplectic representation and…
Continual offline reinforcement learning (CORL) has shown impressive ability in diffusion-based lifelong learning systems by modeling the joint distributions of trajectories. However, most research only focuses on limited continual task…
The dynamical cavity method and its backtracking version provide a powerful approach to studying the properties of dynamical processes on large random graphs. This paper extends these methods to hypergraphs, enabling the analysis of…
We present the results of a systematic study using the density functional theory (within the local density approximation) of the effects of biaxial strain and composition on the self-diffusion of Si and Ge in SiGe alloys diffusing by a…
The growth rates and chemical ordering of ferroelectric alloys are studied with kinetic Monte Carlo (KMC) simulations using an electrostatic model with long-range Coulomb interactions, as a function of temperature, chemical composition, and…
We study the complex quantum dynamics of a system of many interacting atoms in an elongated anharmonic trap. The system is initially in a Bose-Einstein condensed state, well described by Thomas-Fermi profile in the elongated direction and…
The dynamics of many atomic systems is controlled by activated events taking place on a time scale which is long compared to that associated with thermal vibrations. This often places problems of interest outside the range of standard…
This paper presents a new hybrid Fuzzy-ART based K-Means Clustering technique to solve the part machine grouping problem in cellular manufacturing systems considering operational time. The performance of the proposed technique is tested…
We present a novel cluster-expansion (CE) approach for the first-principles modeling of temperature and concentration dependent alloy properties. While the standard CE method includes temperature effects only via the configurational entropy…
In the present work, we conduct large-scale orbital-free DFT calculations to study the energetics of vacancy clustering in aluminum from electronic structure calculations. The simulation domains considered in this study are as large as…
Object kinetic Monte Carlo simulations were performed to study the impact of varying dose rate and grain size up to a dose of 1.0 dpa in pure, polycrystalline tungsten, subjected to a neutron irradiation having a PKA spectrum corresponding…