Related papers: Structure Property in Cu crystallization
"Underlying the whole treatment is the assumption that the physical properties of a solid are closely related to its structure, and that the first step to understanding the physical properties is to understand the structure." Helen D.…
The origin of cube recrystallization texture in medium to high stacking-fault energy fcc metals has been debated for almost 70 years. Despite numerous experimental and simulation studies, many issues regarding the nucleation and growth of…
The dynamic structure factor is a central quantity describing the physics of quantum many-body systems, capturing structure and collective excitations of a material. In condensed matter, it can be measured via inelastic neutron scattering,…
The complexity of condensed matter arises from emergent behaviors that cannot be understood by analyzing individual constituents in isolation. While traditional condensed-matter approaches-developed primarily for ideal crystalline…
The structural properties of the ROFeM (R=La, Nd; M=As, P) materials have been analyzed by means of electron diffraction, high-resolution transmission-electron microscopy (TEM) and in-situ cooling TEM observations. The experimental results…
In this study, we present a novel approach along with the needed computational strategies for efficient and scalable feature engineering of the crystal structure in compounds of different chemical compositions. This approach utilizes a…
Crystal structures can be viewed as assemblies of space-filling polyhedra, which play a critical role in determining material properties such as ionic conductivity and dielectric constant. However, most conventional crystal structure…
Colloidal model systems allow studying crystallization kinetics under fairly ideal conditions with rather well characterized pair interactions and minimized external influences. In complementary approaches therefore experiment, analytic…
Crystallization, a prototypical self-organization process during which a disordered state spontaneously transforms into a crystal characterized by a regular arrangement of its building blocks, usually proceeds by nucleation and growth. In…
We report an ab initio molecular dynamics simulation study of several static and dynamic properties of the liquid 3d transition metals. The calculated static structure factors show qualitative agreement with the available experimental data,…
In crystallography, a structure is typically represented by the arrangement of atoms in the direct space. Furthermore, space group symmetry and Wyckoff site notations are applied to characterize crystal structures with only a few variables.…
The fractal character of some quantum properties has been shown for systems described by continuous variables. Here, a definition of quantum fractal states is given that suits the discrete systems used in quantum information processing,…
Gaining fundamental understanding of crystal nucleation processes in metal alloys is crucial for the development and design of high-performance materials with targeted properties. Yet, crystallization is a complex non-equilibrium process…
Some of the important non-classical aspects of quantum mechanics can be described in more intuitive terms if they are reformulated in a geometrical picture based on an extension of the classical phase space. This contribution presents…
In the present chapter, we discuss an approach for transition from discrete to continuum description of thermomechanical behavior of solids. The transition is carried out for several anharmonic systems: one-dimensional crystal,…
Colloidal particles are often seen as big atoms that can be directly observed in real space. They are therefore playing an increasingly important role as model systems to study processes of interest in condensed matter physics such as…
Atomic diffusion is usually understood as a succession of random, independent displacements of an adatom over the surface's potential energy landscape. Nevertheless, an analysis of Molecular Dynamics simulations of self-diffusion on Cu(111)…
Results for the dynamic structure factor of a one-component plasma are presented for the situations of strong coupling and weak degeneracy and strong degeneracy and weak coupling. Possibilities to obtain rigorous results when both, coupling…
The quantum-mechanical expression for the polarization of a crystalline solid does not bear any resemblance to the (trivial) expression for the dipole of a bounded crystallite; and in fact it has been proved via a conceptually different…
The nonadiabatic geometric phase in a time dependent quantum evolution is shown to provide an intrinsic concept of time having dual properties relative to the external time. A nontrivial extension of the ordinary quantum mechanics is thus…