Related papers: Models and Simulations in Material Science: Two Ca…

Electromagnetic interaction between a sub-wavelength particle (the `probe') and a material surface (the `sample') is studied theoretically. The interaction is shown to be governed by a series of resonances corresponding to surface polariton…

Standard methods for the meta-analysis of medical tests without a gold standard are limited to dichotomous data. Multivariate probit models are used to analyze correlated binary data, and can be extended to multivariate ordered probit…

As with many parts of the natural sciences, machine learning interatomic potentials (MLIPs) are revolutionizing the modeling of molecular crystals. However, challenges remain for the accurate and efficient calculation of sublimation…

Nuclear Magnetic Resonance (NMR) spectroscopy is particularly well-suited to determine the structure of molecules and materials in powdered form. Structure determination usually proceeds by finding the best match between experimentally…

Many optical approaches have been used to examine the composition and structure of gemstones, both recently and throughout history. The nonlinear optical behavior of different gemstones has not been investigated, and the higher order terms…

Solving inverse problems with the reverse process of a diffusion model represents an appealing avenue to produce highly realistic, yet diverse solutions from incomplete and possibly noisy measurements, ultimately enabling uncertainty…

Statistical significance testing is used in natural language processing (NLP) to determine whether the results of a study or experiment are likely to be due to chance or if they reflect a genuine relationship. A key step in significance…

We provide a theoretical framework for the prediction and interpretation of momentum dependent phonon spectra due to coherent inelastic scattering of electrons. We complete the approach with first principles lattice dynamics using periodic…

The general and practical inversion of diffraction data-producing a computer model correctly representing the material explored - is an important unsolved problem for disordered materials. Such modeling should proceed by using our full…

Neutrinoless double beta decay belongs to the most sensitive tools for the search of new physics beyond the standard model. The recent half life limit of the Heidelberg-Moscow experiment implies restrictive bounds on the absolute mass scale…

Testing procedures for assessing specific parametric model forms, or for checking the plausibility of simplifying assumptions, play a central role in the mathematical treatment of the uncertain. No certain answers are obtained by testing…

Spectroscopic ellipsometry is a means to investigate optical and dielectric material responses. Conventional spectroscopic ellipsometry has trade-offs between spectral accuracy, resolution, and measurement time. Polarization modulation has…

Quantifying the population of nanoscale defects that are formed in metals and alloys exposed to extreme radiation environments remains a pressing challenge in materials science. These defects both fundamentally alter material properties and…

Medical researchers have solved the problem of estimating the sensitivity and specificity of binary medical diagnostic tests without gold standard tests for comparison. That problem is the same as estimating confusion matrices for…

In astrophysical (inverse) regression problems it is an important task to decide whether a given parametric model describes the observational data sufficiently well or whether a non-parametric modelling becomes necessary. However, in…

Materials data, especially those related to high-temperature properties, pose significant challenges for machine learning models due to extreme skewness, wide feature ranges, modality, and complex relationships. While traditional models…

Diamond materials are central to an increasing range of advanced technological demonstrations, from high power electronics, to nano-scale quantum bio-imaging with unprecedented sensitivity. However, the full exploitation of diamond for…

In spectroscopic ellipsometry, the optical properties of materials are obtained indirectly by generally assuming dielectric function and optical models. This ellipsometry analysis, which typically requires numerous model parameters, has…

Scanning probe microscopy is one of the most versatile windows into the nanoworld, providing imaging access to a variety of sample properties, depending on the probe employed. Tunneling probes map electronic properties of samples, magnetic…

We report on Fourier spectroscopy experiments performed with near-surface nitrogen-vacancy centers in a diamond chip. By detecting the free precession of nuclear spins rather than applying a multipulse quantum sensing protocol, we are able…