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Heat-assisted magnetic recording (HAMR) is a recent advancement in magnetic recording, allowing to significantly increase the areal density capability (ADC) of hard disk drives (HDDs) compared to the perpendicular magnetic recording (PMR)…
Reversible, diffusionless, first-order solid-solid phase transitions accompanied by caloric effects are critical for applications in the solid-state cooling and heat-pumping devices. Accelerated discovery of caloric materials requires…
An ensuing challenge in Artificial Intelligence (AI) is the perceived difficulty in interpreting sophisticated machine learning models, whose ever-increasing complexity makes it hard for such models to be understood, trusted and thus…
Determining the effective temperatures (Teff) of red supergiants (RSGs) observationally is important in many fields of stellar physics and galactic astronomy, yet some significant difficulties remain due to model uncertainty originating…
We study the interfacial thermal conductance of grain boundaries (GBs) between monolayer graphene and hexagonal boron nitride (h-BN) sheets using a combined atomistic approach. First, realistic samples containing graphene/h-BN GBs with…
Modeling high temperature (10's or 100's of eV), dense plasmas is challenging due to the multitude of non-negligible physical effects including significant partial ionization and multi-site effects. These effects cause the breakdown or…
The CREMA collaboration is pursuing a measurement of the ground-state hyperfine splitting (HFS) in muonic hydrogen ($\mu$p) with 1 ppm accuracy by means of pulsed laser spectroscopy. In the proposed experiment, the $\mu$p atom is excited by…
Functionally graded materials (FGMs) represent a promising class of advanced materials designed with tailored microstructures to achieve optimized mechanical, thermal, and functional properties across varying gradients. The strategic…
Thermal errors in machine tools significantly impact machining precision and productivity. Traditional thermal error correction/compensation methods rely on measured temperature-deformation fields or on transfer functions. Most existing…
Developing efficient path integral (PI) methods for atomistic simulations of vibrational spectra in heterogeneous condensed phases and interfaces has long been a challenging task. Here, we present the h-CMD method, short for hybrid centroid…
High-resolution temperature monitoring is essential for many engineering and scientific applications, but conventional sensors are limited by insufficient resolution and susceptibility to electromagnetic interference. Fiber-optic…
High-shear methods have long been used in experiments to refine grain structures in metals, yet the underlying mechanisms remain elusive. We demonstrate a refinement process using molecular dynamic simulations of iron, wherein…
The Hirschfeld-Gebelein-R\'enyi (HGR) correlation coefficient is an extension of Pearson's correlation that is not limited to linear correlations, with potential applications in algorithmic fairness, scientific analysis, and causal…
In this paper, we discuss the influence of the gravitational darkening effect on the emergent spectrum of a fast-rotating, flattened neutron star. Model atmosphere codes always calculate spectra of emergent intensities and fluxes emitted…
The hyperfine structure of atoms and ions is widely used in fundamental and applied research. Accurate knowledge of hyperfine splitting values is essential for quantum metrology applications as well as for improving the performance of…
New high-resolution far-infrared (FIR) observations of both ortho- and para-NH3 transitions toward IRC+10216 were obtained with Herschel, with the goal of determining the ammonia abundance and constraining the distribution of NH3 in the…
We have developed and implemented a new quantum molecular dynamics approximation that allows fast and accurate simulations of dense plasmas from cold to hot conditions. The method is based on a carefully designed orbital-free implementation…
Understanding the molecular-level structure and dynamics of ice surfaces is crucial for deciphering several chemical, physical, and atmospheric processes. Vibrational sum-frequency generation (SFG) spectroscopy is the most prominent tool…
A new analysis technique for the inference of degree of dissociation of weakly collisional hydrogen plasmas was developed and tested with an experiment. Neutrals in low temperature plasmas are critical to a wide range of plasma-based…
Ab initio molecular dynamics (AIMD) based on density functional theory (DFT) has become a workhorse for studying the structure, dynamics, and reactions in condensed matter systems. Currently, AIMD simulations are primarily carried out at…