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Predicting stress fields in hyperelastic materials with complex microstructures remains challenging for traditional deep learning surrogates, which struggle to capture both sharp stress concentrations and the wide dynamic range of stress…
Two non-overlapping domain decomposition methods are presented for the mixed finite element formulation of linear elasticity with weakly enforced stress symmetry. The methods utilize either displacement or normal stress Lagrange multiplier…
This manuscript presents a practical method for incorporating trained Neural Networks (NNs) into the Finite Element (FE) framework using a user material (UMAT) subroutine. The work exemplifies crystal plasticity, a complex inelastic…
We present a Lagrangian Heterogeneous Multiscale Method (LHMM) for simulating the non-Newtonian rheology of polymer melts in complex two-dimensional flows. The method couples Dissipative Particle Dynamics (DPD) at the microscale with a…
The novel non-isothermal Hot Forming and cold die Quenching (HFQ) process can enable the cost-effective production of complex shaped, high strength aluminium alloy panel components. However, the unfamiliarity of designing for the new…
In high-speed flow past a normal shock, the fluid temperature rises rapidly triggering downstream chemical dissociation reactions. The chemical changes lead to appreciable changes in fluid properties, and these coupled multiphysics and the…
Quantum embedding methods enable the study of large, strongly correlated quantum systems by (usually self-consistent) decomposition into computationally manageable subproblems, in the spirit of divide-and-conquer methods. Among these,…
In this contribution, we present a new Materials Knowledge System framework for microstructure-sensitive predictions of effective stress--strain responses in composite materials. The model is developed for composites with a wide range of…
Multivariate or multichannel data have become ubiquitous in many modern scientific and engineering applications, e.g., biomedical engineering, owing to recent advances in sensor and computing technology. Processing these data sets is…
In this work, we present a study combining two approaches in the context of solving PDEs: the continuous finite element method (FEM) and more recent techniques based on neural networks. In recent years, physics-informed neural networks…
We extend our density matrix embedding theory (DMET) [Phys. Rev. Lett. 109 186404 (2012)] from lattice models to the full chemical Hamiltonian. DMET allows the many-body embedding of arbitrary fragments of a quantum system, even when such…
The modeling of large deformation fracture mechanics has been a challenging problem regarding the accuracy of numerical methods and their ability to deal with considerable changes in deformations of meshes where having the presence of…
A comprehensive 3-D finite element formulation for the coupled thermoelastic system is proposed based on the Total Lagrangian framework to study the thermoelastic damping (TED) in small scale structures. The proposed formulation takes into…
Current system thermal-hydraulic codes have limited credibility in simulating real plant conditions, especially when the geometry and boundary conditions are extrapolated beyond the range of test facilities. This paper proposes a…
Sampling the phase space of molecular systems -- and, more generally, of complex systems effectively modeled by stochastic differential equations -- is a crucial modeling step in many fields, from protein folding to materials discovery.…
A multiscale numerical solver called the seamless-domain method (SDM) is used in linear heat conduction analysis of nonperiodic simulated fields. The practical feasibility of the SDM has been verified for use with periodic fields but has…
Motivated by problems where the response is needed at select localized regions in a large computational domain, we devise a novel finite element discretization that results in exponential convergence at pre-selected points. The two key…
The Finite Element Method (FEM) is a widely used technique for simulating crash scenarios with high accuracy and reliability. To reduce the significant computational costs associated with FEM, the Finite Element Method Integrated Networks…
Design-space dimensionality reduction is essential to mitigate the cost of high-fidelity simulation-based optimization, especially when dealing with high-dimensional geometric parameterizations. Traditional linear techniques, such as…
The multiscale nature of turbulent combustion necessitates accurate and computationally efficient methods for direct numerical simulations (DNS). The field has long been dominated by high-order finite differences, which lack the flexibility…