Related papers: Effect of Atomic Size and Valence Electron Concent…
This study explores Ti-containing complex concentrated alloys (CCAs) within the AlMoNbTiZr system, focusing on compositions located in regions of the Bo-Md diagram characterized by low bond order (Bo) and d-orbital energy level (Md). Four…
The crystallization of complex, concentrated alloys can result in atomic-level short-range order, composition gradients, and phase separation. These features govern the properties of the resulting alloy. While nucleation and growth in…
Recent theoretical and practical research has focused on multi-component High Entropy Alloys (HEAs), which have superior mechanical and functional properties than standard alloys based on a single major element, thereby establishing a new…
The equation of state (EOS) of alloys at high pressures is generalized with the cluster expansion method. It is shown that this provides a more accurate description. The low temperature EOSs of Ni-Al alloys on FCC and BCC lattices are…
The reason behind the remarkable properties of High-Entropy Alloys (HEAs) is rooted in the diverse phases and the crystal structures they contain. In the realm of material informatics, employing machine learning (ML) techniques to classify…
We present an \emph{ab initio} study of the effect of macroscopic deformation on energetics of twelve alloying elements in bcc Fe under three specially designed strain modes. We find that there exists a universal linear relation of…
We demonstrate the development of a series of refractory high-entropy alloys containing aluminum AlRHEAs in the ordered BCC-B2 phase by varying the aluminum content within 10 to 25 atomic percent, with the goal of high strength and good…
A general method is presented for modeling high entropy alloys as ensembles of randomly sampled, ordered configurations on a given lattice. Statistical mechanics is applied post hoc to derive the ensemble properties as a function of…
Iron based industrial steels typically contain a large number of alloying elements, even so-called low alloyed steels. Under irradiation, these alloying elements form clusters that have a detrimental impact of the mechanical properties of…
We report the study of the cocktail effect on superconductivity in high-entropy alloys (HEAs),using hexagonal close-packed HEAs as a prototype system. Compared with the compositional averages of the constituent elements, the superconducting…
High entropy alloys (HEAs) are multi-principal-element alloys designed for tailorable mechanical performance and have been attracting significant engineering interest, yet their fundamental behaviour under extreme dynamic conditions, such…
We have computed the one--body density matrix rho_1 in solid 4He at T=0 K using the Shadow Wave Function (SWF) variational technique. The accuracy of the SWF has been tested with an exact projector method. We find that off-diagonal long…
High entropy alloys (HEAs) are considered as a novel class of materials with a large number of components available in nearly equatomic proportions. One of the characteristic properties of HEAs was believed to be so-called "sluggish"…
High entropy alloys (HEAs) are a recently-opened research area in materials science and condensed matter physics. Although 3d-metal-based HEAs have already been the subject of many investigations, studies of HEA superconductors, which tend…
On the premise that amorphous-HEA composites could demonstrate high toughness and resistance to embrittlement akin to the phase separating glassy-solid solution composites, we develop a thermodynamics based approach to identify chemical…
The chemical equilibrium distribution of 69 elements between gas and melt is modeled for bulk silicate Earth (BSE) material from 1000 - 4500 K and 1e-6 to 100 bar. The BSE melt is modeled as a non-ideal solution and the effects of different…
It is generally assumed that one solute atom will occupy only one lattice site in a substitutional solid solution. We here report an interesting discovery by first-principles calculations that a large solute atom can replace multiple matrix…
Equiatomic TaNbHfZr refractory high-entropy alloys (HEAs) were synthesized by arc-melting. The HEAs were annealed at 1800{\deg}C for different times, at maximum up to 8 days. Their on average body-centered cubic (bcc), solid-solution…
High-entropy alloys (HEAs), as multi-component materials with high configurational entropy, have garnered significant attention as new biomaterials; still, their low yield stress and high elastic modulus need to be overcome for future…
Recently developed single-phase concentrated solid-solution alloys (CSAs) contain multiple elemental species in high concentrations with different elements randomly arranged on a crystalline lattice. These chemically disordered materials…