Related papers: Short range ordering of heavy element columns in n…
On the basis of the assumption that atoms play a role of effective Fermions at lattice distribution, the study of the long-range ordering is shown to be reduced to self-consistent consideration of single and collective excitations being…
Short-range order (SRO) in Fe-rich Fe-Cr alloys is investigated by means of atomistic off-lattice Monte Carlo simulations in the semi-grand canonical ensemble using classical interatomic potentials. The SRO parameter defined by Cowley…
The intercalation of alkali ions into layered materials has played an essential role in battery technology since the development of the first lithium-ion electrodes. Coulomb repulsion between the intercalants leads to ordering of the…
There are still debates regarding the mechanisms that lead to hot cracking in parts build by additive manufacturing (AM) of non-weldable Ni-based superalloys. This lack of in-depth understanding of the root causes of hot cracking is an…
Of current importance for alloy design is controlling chemical ordering through processing routes to optimize an alloy's mechanical properties for a desired application. However, characterization of chemical ordering remains an ongoing…
We report here a study of the effect of short-ranged ordering on the electronic structure and optical properties of CuZn alloys. We shall use the augmented space recursion technique developed by us in conjunction with the tight-binding…
Local, or short-range, order in disordered alloys is an important and exciting phenomenon which is quantified in electron, X-ray and neutron scattering experiments. It is discussed in many excellent reviews and books, as well as in the…
Chemical short-range order (CSRO) has emerged as a critical structural feature in concentrated alloys, yet its coupling with hydrogen remains an active discussion. Here, we develop a machine-learning interatomic potential for the Co-Ni-V-H…
As one of the most abundant interstitial elements, nitrogen (N) is effective in improving yield strength of metallic materials, due to interstitial solid solution strengthening. Doping N can substantially enhance the yield strength but…
We present a Monte Carlo study of the correlation length $\xi$ of randomly diluted antiferromagnetic Heisenberg ladders, composed of two spin--1/2 chains. For weak and intermediate inter--chain couplings, $J_{\bot}/J \leq 1$, we find an…
New low-order $H(\textrm{div})$-conforming finite elements for symmetric tensors are constructed in arbitrary dimension. The space of shape functions is defined by enriching the symmetric quadratic polynomial space with the $(d+1)$-order…
This work demonstrates the development of a strong and ductile medium entropy alloy by employing conventional alloying and thermomechanical processing to induce partial recrystallization (PR) and precipitation strengthening in the…
The quaternary alloy AlCrTiV has been proposed as both a lightweight high entropy alloy and also a functional spin filter material based on the Heusler structure. Experimental investigations to-date, based on X-ray diffraction, offer…
Battery interfaces critically influence lithium-metal battery performance through their role in ion diffusion and dendrite formation. However, structural characterization of these interfaces has remained challenging due to limitations in…
The structure and degree of order in soft matter and other materials is intimately connected to the nature of the interactions between the particles. One important research goal is to find suitable control mechanisms, to enhance or suppress…
Linear response methods applied to electron systems often display a level of accuracy which is notable when viewed in terms of the strengths of perturbing interactions. Neglect of higher response terms is in fact justifiable in many cases…
Structural correlations have a significant effect on light propagation in disordered media. We numerically investigate the role of short-range order in light absorption in thin films with disordered nanoholes. Two types of disordered…
The coupling of strength to short-range order (SRO) in the CrCoNi medium entropy alloy remains actively investigated, with conflicting reports supporting and opposing SRO-induced strengthening continuing to emerge. A direct observation of…
We approach the search for optimal element ordering in bimetallic alloy nanoparticles (NPs) as a reinforcement learning (RL) problem and have built an RL agent that learns to perform such global optimization using the geometric graph…
We study formation of the charge-density wave long-range order in a system of repulsive 1D electrons coupled to 3D phonons. We show that the CDW can be stabilized by interaction with phonons in quasi-1D crystals and semiconducting…