Related papers: Modeling Framework to Predict Melting Dynamics at …
Electronic structure theory provides a foundation for understanding chemical transformations and processes in complex chemical environments. Our work is focused on the NWChemEx project that has selected two interrelated science challenges…
Hypothesis: Surfactant-free microemulsion (SFME), an emerging phenomenology that occurs in the monophasic zone of a broad category of ternary mixtures 'hydrophobe/hydrotrope/water', has attracted extensive interests due to their unique…
High-entropy alloys (HEAs) have emerged as favorable choices for different applications, including superconductors. The present work examines the impact of nanostructuring via high-pressure torsion (HPT) on the superconducting properties of…
Hot matter with nucleons can be produced in the inner region of the neutrino-dominated accretion flow in gamma-ray bursts or during the proto-neutron star birth in successful supernova. The composition and equation of state of the matter…
The possibility of investigating the dynamics of solids on timescales faster than the thermalization of the internal degrees of freedom has disclosed novel non-equilibrium phenomena that have no counterpart at equilibrium. Transition metal…
The neutron emission rates in thermal excited nuclei are conventionally described by statistical models with a phenomenological level density parameter that depends on excitation energies, deformations and mass regions. In the microscopic…
Using as a starting point conservation of momentum, a multiphase mechanical energy balance equation is derived that accounts for multiple material phases and interfaces present within a moving control volume. This balance is applied to a…
Understanding the thermal behaviour of superconducting accelerator magnets is essential to ensure their stable and reliable operation. This work presents an extension of the Finite Element Quench Simulator (FiQuS) Multipole module to…
As the consumption of traditional energy sources intensifies and their adverse environmental impacts become more pronounced, wave energy stands out as a highly promising member of the renewable energy family due to its high energy density,…
We present a surface stacking fault (SSF) energy approach to predicting defect nucleation from the surfaces of surface-dominated nanostructure such as FCC metal nanowires. The approach leads to a criteria that predicts the initial yield…
High-pressure combustion is central to modern propulsion and power-generation systems, where operating pressures often exceed the critical point of working fluids, resulting in pronounced real-fluid effects that fundamentally alter…
The ultrathin one-dimensional sp3 diamond nanothreads (NTHs), as successfully synthesised recently, have greatly augmented the interests from the carbon community. In principle, there can exist different stable NTH structures. In this work,…
For manufacturing of aerospace composites, several parts may be processed simultaneously using convective heating in an autoclave. Due to uncertainties including tool placement, convective Boundary Conditions (BCs) vary in each run. As a…
NT experiments have demonstrated core performance on par with positive triangularity (PT) H-mode without edge-localized modes (ELMs), encouraging further study of an NT reactor core. In this work, we use integrated modeling to scope the…
Transformers have attained superior performance in natural language processing and computer vision. Their self-attention and feedforward layers are overparameterized, limiting inference speed and energy efficiency. Tensor decomposition is a…
Liquid metals play a central role in new generation liquid metal cooled nuclear reactors, for which numerical investigations require the use of appropriate thermal turbulence models for low Prandtl number fluids. Given the limitations of…
Predicting the melting temperature (Tm) of multi-component and high-entropy alloys (HEAs) is critical for high-temperature applications but computationally expensive using traditional CALPHAD or DFT methods. In this work, we develop a…
High velocity impact between crystalline surfaces is important for a range of material phenomena, yet a fundamental understanding of the effect of surface structure, energetics and kinetics on the underlying thermo-mechanical response…
High-entropy alloys (HEAs) stand out between multi-component alloys due to their attractive microstructures and mechanical properties. In this investigation, molecular dynamics (MD) simulation and machine learning were used to ascertain the…
FeTi-based hydrides have recently re-attracted attention as stationary hydrogen storage materials due to favorable reversibility, good sorption kinetics and relatively low costs compared to alternative intermetallic hydrides. Employing the…