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Understanding and designing inertial confinement fusion (ICF) implosions through radiation-hydrodynamics simulations rely on the accurate knowledge of the equation of state (EOS) of the deuterium and tritium fuels. To minimize the drive…
Beyond active material intrinsic properties, the electrode manufacturing process is a crucial step to reach high energy density and long-life of Li-ion batteries. In particular, very high pressures are applied to the electrode during the…
This work presents a finite element method for simulating dynamic processes that involve the coupled evolution of dislocation motion and crack propagation. The method numerically solves the Concurrent Atomistic-Continuum (CAC) formulation…
Non-compact QED3 is simulated both in the quenched and unquenched cases. In particular, we investigate the restoration of chiral symmetry at finite temperature. We also compute the zero temperature spectrum of the theory, including (in the…
We present a comprehensive investigation of quantum oscillations (QOs) in the strongly-correlated Falicov-Kimball model (FKM). The FKM is a particularly suitable platform for probing the non-Fermi liquid state devoid of quasiparticles,…
High temperature superconducting (HTS) stacks of coated conductors (CCs) can work as strong trapped field magnets (TFMs) and show potential in electrical applications. Pulsed field magnetization (PFM) is a practical method to magnetize such…
We extend the FE-DMN method to fully coupled thermomechanical two-scale simulations of composite materials. In particular, every Gauss point of the macroscopic finite element model is equipped with a deep material network (DMN). Such a DMN…
Quantum simulations of metal surfaces are critical for catalytic innovation. Yet existing methods face a cost-accuracy dilemma: density functional theory is efficient but system-dependent in accuracy, while wavefunction-based theories are…
Large-scale earthquake sequence simulations using the boundary element method (BEM) incur extreme computational costs through multiplying a dense matrix with a slip rate vector. Hierarchical matrices (H-matrices) have often been used to…
Field emission coupled with molecular dynamics simulation (FEcMD) software package is a computational tool for studying atomic structure evolution, structural deformation, phase transitions, recrystallization as well as electron emission…
In this paper we present a new multi-scale simulation scheme for next-generation electronic design automation for nano-electronics. The scheme features a combination of the first-principles quantum mechanical calculation, semi-classical…
Motivated by the inadequacy of conducting atomistic simulations of crack propagation using static boundary conditions that do not reflect the movement of the crack tip, we extend Sinclair's flexible boundary condition algorithm [Philos.…
Numerical simulation of strong-field quantum electrodynamics (SFQED) processes is an essential step towards current and future high-intensity laser experiments. The complexity of SFQED phenomena and their stochastic nature make them…
The spark plasma sintering (SPS) process, a key technology for advanced material manufacturing, demands accurate and efficient simulation tools to capture the complex electro-thermal-mechanical interactions inherent in powder materials.…
Nonlinearities and instabilities in mechanical structures have shown great promise for embedding advanced functionalities. However, simulating structures subject to nonlinearities can be challenging due to the complexity of their behavior,…
The numerical simulation of the diffusion MRI signal arising from complex tissue micro-structures is helpful for understanding and interpreting imaging data as well as for designing and optimizing MRI sequences. The discretization of the…
An accurate and efficient numerical electromagnetic model for superconducting qubits is essential for characterizing and minimizing design-dependent dielectric losses. The energy participation ratio (EPR) is the commonly adopted metric used…
Here we present qFlex, a flexible tensor network based quantum circuit simulator. qFlex can compute both exact amplitudes, essential for the verification of the quantum hardware, as well as low fidelity amplitudes, in order to mimic…
Finite element models of electrical machines allow insights in electrothermal stresses which endanger the insulation system of the machine. This paper presents a thermal finite element model of a 3.7 kW squirrel-cage induction machine. The…
The advantage of having a high-fidelity instrument simulation tool developed in tandem with novel instrumentation is having the ability to investigate, in isolation and in combination, the wide parameter space set by the instrument design.…