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In systems with slow reaction kinetics, such as mineral dissolution processes, chemical equilibrium cannot be assumed and an accurate understanding of reaction rates is essential; discrepancies in parameter reporting can greatly affect…
Here an efficient fusion technique for automatic face recognition has been presented. Fusion of visual and thermal images has been done to take the advantages of thermal images as well as visual images. By employing fusion a new image can…
The design of advanced nuclear reactors (Gen IV) involves an array of challenging fluid-flow issues that affect its safety and performance. The calculated DNS database will be instrumental in understanding the flow behavior in the…
As the demand for computational power increases, high-bandwidth memory (HBM) has become a critical technology for next-generation computing systems. However, the widespread adoption of HBM presents significant thermal management challenges,…
High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large databases of structures and properties that result from…
We introduce a class of thermal operations based on the collision model, where the system sequentially interacts with uncorrelated bath molecules via energy-preserving unitaries. To ensure finite complexity, each molecule is constrained to…
We have performed realistic atomistic simulations at finite temperatures using Monte Carlo and atomistic spin dynamics simulations incorporating quantum (Bose-Einstein) statistics. The description is much improved at low temperatures…
In this article we present an algorithm to efficiently evaluate the exchange matrix in periodic systems when Gaussian basis set with pseudopotentials are used. The usual algorithm for evaluating exchange matrix scales cubically with the…
The recent developments in data-driven methods have paved the way to new methodologies to provide accurate state reconstruction of engineering systems; nuclear reactors represent particularly challenging applications for this task due to…
Heat transfer simulations of the fused filament fabrication process are an important tool to predict bonding, residual stresses and strength of 3D printed parts. But in order to capture the significant thermal gradients that occur in the…
The liquidus temperature is an important parameter in understanding the crystalline behavior of materials and in the operation of blast furnaces. Its modeling can be carried out by linear and nonlinear methods through data, considering the…
Estimating probability of failure in aerospace systems is a critical requirement for flight certification and qualification. Failure probability estimation involves resolving tails of probability distribution, and Monte Carlo sampling…
We derive and validate a partition function for low-dimensional systems interacting with a heat bath, addressing the general issue of thermodynamic modeling of nanoscale systems. In contrast to bulk systems in the canonical (NVT) ensemble…
We describe a method to compute photon-matter interaction and atomic dynamics with X-ray lasers using a hybrid code based on classical molecular dynamics and collisional-radiative calculations. The forces between the atoms are dynamically…
The increasing demand for materials capable of withstanding high temperatures and harsh environments necessitates the discovery of advanced alloys. This study introduces a computational routine to predict solid-state phase stability and…
(Abridged) In this paper we present a compilation of results from our most advanced neutron star merger simulations, including a description of the employed numerical procedures and a more complete overview over a large number of computed…
Neutron oscillation into mirror neutron, a sterile state exactly degenerate in mass with the neutron, could be a very rapid process, even faster than the neutron decay itself. It can be observed by comparing the neutron lose rates in an…
The uncertainties and covariance matrices of fission yield are important in the uncertainty analysis of decay heat. At present, there are no covariance matrixes of fission yield given in the evaluated nuclear data library, although they…
Magnetic cooling based on the magnetocaloric effect is a promising solid-state refrigeration technology for a wide range of applications in different temperature ranges. Previous studies have mostly focused on near room temperature (300 K)…
The thermal conductivity of a dense {\it multi-component} plasma is critical to the modeling of accreting neutron stars. To this end, we perform large-scale molecular dynamics simulations to calculate the static structure factor of the…