Related papers: Atomic-scale modeling of superalloys
We analyze the time evolution of quantum entanglement in a model consisting of two two-level atoms interacting with a two-mode electromagnetic field for a variety of initial states and interatomic separations. We study two specific atomic…
The enormous experimental progress in atomic, molecular and optical (AMO) physics during the last decades allows us nowadays to isolate single, a few or even many-body ensembles of microscopic particles, and to manipulate their quantum…
Machine-learning of atomic-scale properties amounts to extracting correlations between structure, composition and the quantity that one wants to predict. Representing the input structure in a way that best reflects such correlations makes…
An ab-initio description of atomic nuclei that solves the nuclear many-body problem for realistic nuclear forces is expected to possess a high degree of predictive power. In this contribution we treat the main obstacle, namely the…
Carbon solubility in face-centered cubic Ni-W alloys and the phase diagram of C-Ni-W are investigated by means of first principle calculations and semi-grand canonical Monte Carlo simulations. With density functional theory (DFT) total…
A central concern of molecular dynamics simulations are the potential energy surfaces that govern atomic interactions. These hypersurfaces define the potential energy of the system, and have generally been calculated using either predefined…
Mixed atomistic and continuum methods offer the possibility of carrying out simulations of material properties at both larger length scales and longer times than direct atomistic calculations. The quasi-continuum method links atomistic and…
Modern quantum engineering techniques enabled successful foundational tests of quantum mechanics. Yet, the universal validity of quantum postulates is an open question. Here we propose a new theoretical framework of Q-data tests, which…
The behaviour of a di-nuclear system in the regime of strong pairing correlations is studied with the methods of statistical mechanics. It is shown that the thermal averaging is strong enough to assure the application of thermodynamical…
Atomistic simulations were carried out to analyze the interaction between $< a>$ basal dislocations and precipitates in Mg-Al alloys and the associated strengthening mechanisms.
Particle-based modeling of materials at atomic scale plays an important role in the development of new materials and understanding of their properties. The accuracy of particle simulations is determined by interatomic potentials, which…
As a complement to experimental and theoretical approaches, numerical modeling has become an important component to study asteroid collisions and impact processes. In the last decade, there have been significant advances in both…
We use recent theoretical advances to develop a new functional form for interatomic forces in bulk silicon. The theoretical results underlying the model include a novel analysis of elastic properties for the diamond and graphitic structures…
In this research, atomistic molecular dynamics simulations are combined with mesoscopic phase-field computational methods in order to investigate phase-transformation in polycrystalline Aluminum microstructure. In fact, microstructural…
The progress achieved in micro-fabricating potential for cold atoms has defined a new field in quantum technology - Atomtronics - where a variety of 'atom circuits' of very different spatial shapes and depth have been devised for atom…
One of the main aims in the field of quantum simulation is to achieve a quantum speedup, often referred to as "quantum computational supremacy", referring to the experimental realization of a quantum device that computationally outperforms…
Nuclear theory has entered an exciting era. This is due to advances on many fronts, including the development of effective field theory and the renormalization group for nuclear forces, advances in ab-initio methods for nuclear structure,…
We briefly summarize the kernel regression approach, as used recently in materials modelling, to fitting functions, particularly potential energy surfaces, and highlight how the linear algebra framework can be used to both predict and train…
A kinetic approach for the evolution of ultracold neutral plasmas including interionic correlations and the treatment of ionization/excitation and recombination/deexcitation by rate equations is described in detail. To assess the…
This paper presents a method for uncovering hidden analytic relationships among the fundamental parameters of the Standard Model (SM), a foundational theory in physics that describes the fundamental particles and their interactions, using…