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Predicting effective thermal conductivity by solving a Partial Differential Equation (PDE) defined on a high-resolution Representative Volume Element (RVE) is a computationally intensive task. In this paper, we tackle the task by proposing…
The present paper numerically analyzes a passive cooling system using enclosures with different geometries filled with thermal conductivity-enhanced phase change material (PCM). A numerical code is developed using an unstructured…
The nuclear community has coupled several three-dimensional Computational Fluid Dynamics (CFD) solvers with one-dimensional system thermal-hydraulic (STH) codes. This work proposes to replace the CFD solver by a reduced order model (ROM) to…
Batteries are critical for electrified transportation and aviation, yet thermodynamic understanding of electrode materials remains lacking, as indicated by the often-seen violation of the second law of thermodynamics of open-circuit voltage…
As the resolution of weather and climate simulations increases, the amount of data produced is growing rapidly from hundreds of terabytes to tens of petabytes. The huge size becomes a limiting factor for broader adoption, and its fast…
Calibration is a vital step in the development of rigorous digital models of diverse physical and chemical processes, yet one which is highly time- and labour-intensive. In this paper, we introduce a novel tool, Autonomous Calibration and…
Machine learning (ML) has emerged as a powerful tool for accelerating the computational design and production of materials. In materials science, ML has primarily supported large-scale discovery of novel compounds using first-principles…
Supersolidity in a dipolar Bose-Einstein condensate (BEC), which is the coexistence of crystalline density modulation and global phase coherence, emerges from the interplay of contact interactions, long-range dipole-dipole forces, and…
In this paper, we investigate an artificial-intelligence (AI) driven approach to design error correction codes (ECC). Classic error correction code was designed upon coding theory that typically defines code properties (e.g., hamming…
The discovery of novel carbon allotropes with tailored thermal and mechanical properties is critical for advanced thermal management. However, exploring the vast configurational space of carbon using \textit{ab initio} calculations remains…
We present a new method for calculating the temperature profile in high explosive (HE) material using a Convolutional Neural Network (CNN). To train/test the CNN, we have developed a hybrid experiment/simulation method for collecting…
Characterizing the entropy of a system is a crucial, and often computationally costly, step in understanding its thermodynamics. It plays a key role in the study of phase transitions, pattern formation, protein folding and more. Current…
Achieving chemical accuracy for molecular simulations remains a central challenge in computational chemistry. Here, we present an embedded correlated wavefunction transfer learning (ECW-TL) framework for accurately simulating molecular…
We consider topological entanglement entropy (TEE) at finite temperature for CSS codes, which include some ordinary topological-ordered systems such as the toric code and some fracton models such as the Haah's code and the X-cube model. We…
I show how interaction corrections to the Bose condensation temperature of an atomic gas can be computed using a combination of perturbative effective field theory and lattice techniques.
High entropy alloys (HEAs) are promising magnetocaloric materials with tunable operating temperature conditions using compositional modifications. Here, we combine experiments and first principles based spin modelling to engineer…
This paper introduces a novel method for optimizing HVAC systems in buildings by integrating a high-fidelity physics-based simulation model with machine learning and measured data. The method enables a real-time building advisory system…
A thermal convection loop is a circular chamber filled with water, heated on the bottom half and cooled on the top half. With sufficiently large forcing of heat, the direction of fluid flow in the loop oscillates chaotically, forming an…
The ability to predict the composition- and temperature-dependent stability of refractory complex concentrated alloys (RCCAs) is vital to the design of high-temperature structural alloys. Here, we present a model based on first-principles…
Adaptive precision molecular dynamics simulations have developed along energy- and force-coupling approaches, which allow for a continuous transition between different particle descriptions or interaction potentials. Most approaches…