相关论文: Comparison of intermediate-range order in GeO$_2$ …
Around a glass transition, the dynamics of a supercooled liquid dramatically slow down, exhibited by caging of particles, while the structural changes remain subtle. In alternative to recent machine learning studies searching for structural…
Computer simulations give precious insight into the microscopic behavior of supercooled liquids and glasses, but their typical time scales are orders of magnitude shorter than the experimentally relevant ones. We recently closed this gap…
Establishing correspondences between two images requires both local and global spatial context. Given putative correspondences of feature points in two views, in this paper, we propose Order-Aware Network, which infers the probabilities of…
The exceptional mechanical strengths of medium and high-entropy alloys have been attributed to hardening in random solid solutions. Here, we evidence non-random chemical mixings in CrCoNi alloys, resulting from short range ordering. A novel…
There is growing evidence that electronic and molecular networks present some common universal properties, among which the existence of a self-organized intermediate phase. In glasses, the latter is revealed by the reversibility window…
Background: Lower production of H$_2$O$_2$ in water is a hallmark of ultra-high dose rate (UHDR) compared to the conventional dose rate (CDR). However, the current computational models based on the predicted yield of H$_2$O$_2$ are in…
Monte Carlo studies of the 3D random field $XY$ model on simple cubic lattices of size $64^3$, using two different isotropic random-field probability distributions of moderate strength, show a glassy freezing behavior above $T_c$, and…
Detailed mean field and Monte Carlo studies of the dynamic magnetization-reversal transition in the Ising model in its ordered phase under a competing external magnetic field of finite duration have been presented here. Approximate…
Glasses offer a broad range of tunable thermophysical properties that are linked to their compositions. However, it is challenging to establish a universal composition-property relation of glasses due to their enormous composition and…
First results from the JUNO reactor neutrino experiment already determine with world-leading precision the small neutrino squared-mass splitting $\Delta m^2_{21}$ and the mixing angle $\theta_{12}$. In this article we perform an exploratory…
Monte Carlo simulation results are reported on magnetic ordering in ABC stacked Kagom\'{e} layers with fcc symmetry for both XY and Heisenberg models which include exchange interactions with the eight near-neighbors. Well known degeneracies…
An intercomparison of microdosimetric and nanodosimetric quantities simulated Monte Carlo codes is in progress with the goal of assessing the uncertainty contribution to simulated results due to the uncertainties of the electron interaction…
There are various routes for deriving partial radial distribution functions of disordered systems from experimental diffraction (and/or EXAFS) data. Due to limitations and errors of experimental data, as well as to imperfections of the…
Neutron diffraction results obtained for plastic crystalline dichlorodibromomethane (CBr2Cl2) have been modelled by means of the Reverse Monte Carlo method. Comparison with its liquid phase is provided at several levels of the atomic…
The origins of rapid dynamical slow down in glass forming liquids in the growth of static length scales, possibly associated with identifiable structural ordering, is a much debated issue. Growth of medium range crystalline order (MRCO) has…
The simulation of borosilicate glasses is challenging due to the composition and temperature dependent coordination state of boron atoms. Here, we present a newly developed machine learning optimized classical potential for molecular…
For many materials, macroscopic mechanical behavior is determined by an intricate microstructure. Understanding the relation between these two scales helps scientists and engineers design better materials. The relation which maps…
Successful computer studies of glass-forming materials need to overcome both the natural tendency to structural ordering and the dramatic increase of relaxation times at low temperatures. We present a comprehensive analysis of eleven…
Molecular dynamics simulations and integral equation calculations of a simple equimolar mixture of diatomic molecules and monomers interacting via attractive and repulsive short-range potentials show the existence of pattern formation…
Machine learning algorithms thrive on large data sets of good quality. Here we show that they can also excel in a typical research setting with little data of limited quality, through an interplay of insights coming from machine, and human…