Related papers: Thermodynamic Stability of Co-Al-W L12 \gamma'
Cobalt-based alloys with {\gamma}/{\gamma}' microstructures have the potential to become the next generation of superalloys, but alloy compositions and processing steps must be optimized to improve coarsening, creep, and rafting behavior.…
Stacking fault energy dictates phase stability and deformation behavior in Co alloys and WC-Co cemented carbides, yet a quantitative assessment of alloying effects at finite temperatures remains poorly established. By integrating…
The phase stability of NiAl clusters of nanometer size was studied by using the embedded atom model and Monte Carlo simulation techniques. For temperatures of 500 and 1000 K and for a range of compositions below 70 at.% Al, the equilibrium…
In novel Co and CoNi based superalloys, the creep resistance is limited at high temperatures due to low lattice misfit and solvus temperature. In this study, we combined the advantages of Co-Ti (high lattice misfit and solvus temperature)…
A systematic study of the compression creep properties of a single-crystalline Co-base superalloy (Co-9Al-7.5W-2Ta) was conducted at 950 {\deg}C, 975 {\deg}C and 1000 {\deg}C to reveal the influence of temperature and the resulting…
Two superconducting phases of Re3W have been found with different physical properties. One phase crystallizes in a non-centrosymmetric cubic (alpha-Mn) structure and has a superconducting transition temperature, Tc, of 7.8 K. The other…
The alloys of non-centrosymmetric superconductor, Re$_3$W, which were reported to have an $\alpha$-Mn structure [P. Greenfield and P. A. Beck, J. Metals, N. Y. \textbf{8}, 265 (1959)] with $T_\mathrm{c}=9 $K were prepared by arc melting.…
We have investigated the weak antilocalization (WAL) in the pressurized Dirac semimetal $\alpha$-(BEDT-TTF)$_2$I$_3$ across a correlation-driven quantum phase transition to a charge-ordered insulating state and evaluated the phase coherence…
The phase diagram of Al-Li-Cu system in the Al-rich region was determined by means of first-principles calculations and statistical mechanics. The mixing enthalpies of many configurations for different lattices in the whole Al-Li-Cu system…
We report the occurrence of superconductivity in polycrystalline samples of ZrTe3 at 5.2 K temperature at ambient pressure. The superconducting state coexists with the charge density wave (CDW) phase, which sets in at 63K. The intercalation…
Atomic structures of Al-Co-Cu decagonal quasicrystals (QCs) are investigated using empirical oscillating pair potentials (EOPP) in molecular dynamic (MD) simulations that we enhance by Monte Carlo (MC) swapping of chemical species and…
Using ab initio Density Functional Theory (DFT) calculations, we investigate the electronic structure, phase stability, and magnetic properties of equiatomic binary alloys between Al and 3d magnetic transition elements (Cr, Mn, Fe, Co, and…
Charge density wave (CDW) instability is often found in phase diagrams of superconductors such as cuprates and certain transition-metal dichalcogenides. This proximity to superconductivity triggers the question on whether CDW instability is…
Based on density functional theory the noncentrosymmetric superconductor Mo_3Al_2C in its well established {\beta}-Mn type ($P4_{1}32$) crystal structure is investigated. In particular, its thermodynamical and dynamical stabilities are…
In this study Mo-Nb-Ta-W refractory high-entropy alloys (R-HEAs) have been studied for their phase stability for a wide temperature range (100 K to 2000 K). The equilibrium thermodynamic phases are determined by the changes in enthalpy and…
We present first systematic studies of the photoinduced phase transition from the ground charge density wave (CDW) state to the normal metallic (M) state in the prototype quasi-1D CDW system K0.3MoO3. Ultrafast non-thermal CDW melting is…
We resolve issues that have plagued reliable prediction of relative phase stability for solid-solutions and compounds. Due to its commercially important phase diagram, we showcase Al-Li system because historically density-functional theory…
L12 precipitates are known to significantly enhance the strength and ductility of single-phase face-centered cubic (FCC) medium- or high-entropy alloys (M/HEAs). However, further improvements in mechanical properties remain untapped, as…
We perform a critical assessment of the accuracy of DFT-based methods in predicting stable phases within the Co-Pt binary alloy. Statistical mechanical analysis applied to zero kelvin DFT predictions yields finite-temperature results that…
The high strength of structural aluminium alloys depends strongly on the controlled precipitation of specific intermetallic phases, whose identity and crystal structure can be difficult to predict. Here, we investigate the Al-Pt system,…