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Physical processes that manifest as tangential vector fields on a sphere are common in geophysical and environmental sciences. These naturally occurring vector fields are often subject to physical constraints, such as being curl-free or…
A precise modelling of the dynamics of bubbles nucleated during first-order phase transitions in the early Universe is pivotal for a quantitative determination of various cosmic relics, including the stochastic background of gravitational…
In this article, a novel cluster analysis algorithm was employed in the study of polymer coil to globule transition via single chain Monte Carlo simulations. The algorithm, which has been recently applied in Molecular Dynamics simulations…
In this study, we present the phase-space analysis of Quintessence models specified by the choice of two potentials, namely the Recliner potential and what we call the broken exponential-law potential, which is a new proposal. Using a…
Aboria is a powerful and flexible C++ library for the implementation of particle-based numerical methods. The particles in such methods can represent actual particles (e.g. Molecular Dynamics) or abstract particles used to discretise a…
The cryogenic buffer gas beam (CBGB) is an important tool in the study of cold and ultracold molecules. While there are known techniques to enhance desired beam properties, such as high flux, low velocity, or reduced divergence, they have…
Simulation-based approaches are among the most practical means to search for safety violations, bugs, and other unexpected events in cyber-physical systems (CPS). Where existing approaches search for simulations violating a formal…
Phase change process plays a critical role in thermal management systems, yet quantitative characterization of multiphase heat transfer remains limited by the challenges of measuring temperature fields in chaotic, rapidly evolving flow…
We develop a broadly-applicable computational method for the automatic exploration of the bimolecular multi-reaction mechanism. The current methodology mainly involves the high-energy Born-Oppenheimer molecular dynamics (BOMD) simulation…
Molecular dynamics simulations have a prominent role in biophysics and drug discovery due to the atomistic information they provide on the structure, energetics and dynamics of biomolecules. Specialized software packages are required to…
A general method for computing derivatives of solution fields and other simulation outputs, with respect to arbitrary input quantities, is proposed. The method of automatic differentiation is used to carry out differentiation and propagate…
A unified simulator that can model diverse physical phenomena without solver-specific redesign is a long-standing goal across simulation science. We present a learning-based particle simulator built on a single transformer architecture to…
We describe a software package called VPLanet that simulates fundamental aspects of planetary system evolution over Gyr timescales, with a focus on investigating habitable worlds. In this initial release, eleven physics modules are included…
Multivariate spatio-temporal data refers to multiple measurements taken across space and time. For many analyses, spatial and time components can be separately studied: for example, to explore the temporal trend of one variable for a single…
A recent reformulation [1] of the problem of Coulomb gases in the presence of a dynamical dielectric medium showed that finite temperature simulations of such systems can be accomplished on the basis of completely local Hamiltonians on a…
We investigate the hydrodynamic solutions for expanding bubbles in cosmological first-order phase transitions going beyond local thermal equilibrium approximation. Under the assumption of a tangenosidal field profile, we supplement the…
A novel theoretical model for bubble dynamics is established that simultaneously accounts for the liquid compressibility, phase transition, oscillation, migration, ambient flow field, etc. The bubble dynamics equations are presented in a…
We present a novel, hardware-agnostic implementation strategy for lattice Boltzmann (LB) simulations, which yields massive performance on homogeneous and heterogeneous many-core platforms. Based solely on C++17 Parallel Algorithms, our…
The response of underwater structures to a near-field explosion is coupled with the dynamics of the explosion bubble and the surrounding water. This multiphase fluid-structure interaction process is investigated using a model problem that…
We have developed a fully parallel C++/MPI based simulation code for variable-density particle-laden turbulent flows. The fluid is represented through a uniform Eulerian staggered grid, while particles are modeled using a Lagrangian…