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Phase transitions among Mg2SiO4 and its high-pressure polymorphs (wadsleyite and ringwoodite) are central to mantle dynamics and deep-mantle material cycling. However, the locations and Pressure-Temperature (P-T) dependences of these phase…
The manufacture of solid oxide fuel cells (SOFCs) involves fabrication of a multilayer ceramic structure, for which constrained sintering is a key processing step in many cases. Defects are often observed in the sintered structure, but…
Clustering is a fundamental technique in data analysis and machine learning, used to group similar data points together. Among various clustering methods, the Minimum Sum-of-Squares Clustering (MSSC) is one of the most widely used. MSSC…
The mixed spinel, MgFe2O4 has been synthesized by ball-milling assisted sintering method. X-ray diffraction study confirms formation of cubic MgFe2O4 and the lattice parameter values calculated are a = b = c = 8.369(3) {\AA}. Vibrating…
Aluminum-Copper (Al-Cu) alloys are essential materials for weight reduction critical structures in the aerospace and automotive industries, yet achieving their maximum ultrahigh-strength potential remains limited by nanoscale defect control…
Four-dimensional scanning transmission electron microscopy (4D-STEM) enables mapping of diffraction information with nanometer-scale spatial resolution, offering detailed insight into local structure, orientation, and strain. However, as…
Markov Chain Monte Carlo (MCMC) methods such as Gibbs sampling are finding widespread use in applied statistics and machine learning. These often lead to difficult computational problems, which are increasingly being solved on parallel and…
Crystallization is a fundamental process in materials science, providing the primary route for the realization of a wide range of new materials. Crystallization rates are also considered to be useful probes of glass-forming ability. At the…
Solids with spatial variations in the crystalline axes naturally evolve into cells or grains separated by sharp walls. Such variations are mathematically described using the Nye dislocation density tensor. At high temperatures,…
The resent progress in the technology of transparent ceramics extends the application of CW and pulsed lasers. The parameters of the transparent ceramics are comparable with the single crystals both for active elements (Nd:YAG, Yb:YAG,…
Axial segregation of a binary mixture of grains in a rotating drum is studied using Molecular Dynamics (MD) simulations. A force scheme leading to a constant restitution coefficient is used and shows that axial segregation is possible…
We present temperature-dependent x-ray diffraction and temperature- and field-dependent Raman scattering studies of single crystal Mn3O4, which reveal the novel magnetostructural phases that evolve in the spinels due to the interplay…
Microwave energy can be advantageously used for materials processing as it provides high heating rates and homogeneous temperature field distribution. These features are partly due to the large microwave penetration depth into dielectric…
We present a new sink particle algorithm developed for the Adaptive Mesh Refinement code RAMSES. Our main addition is the use of a clump finder to identify density peaks and their associated regions (the peak patches). This allows us to…
Approximate Markov chain Monte Carlo (MCMC) offers the promise of more rapid sampling at the cost of more biased inference. Since standard MCMC diagnostics fail to detect these biases, researchers have developed computable Stein discrepancy…
The material properties of polycrystals are strongly affected by the evolution and coarsening of their internal grain structures. Yet, studying this process is challenging due to the complex interactions within grain boundary networks.…
In this work, we introduce a simple modification of the Monte Carlo algorithm, which we call step Monte Carlo (sMC). The sMC approach allows to simulate processes far from equilibrium and obtain information about the dynamic properties of…
Sequential Monte Carlo (SMC) methods are a class of techniques to sample approximately from any sequence of probability distributions using a combination of importance sampling and resampling steps. This paper is concerned with the…
Hypotheses: A quantitative molecular-thermodynamic theory of the growth of giant wormlike micelles of nonionic surfactants can be developed on the basis of a generalized model, which includes the classical 'phase separation' and 'mass…
Abnormal grain growth in the presence of second phase particles is investigated with the help of a two-dimensional Monte Carlo simulation. An aggregate of equiaxed grains is considered with constant grain boundary energy and mobility. The…