Related papers: First-principles study of ternary fcc solution pha…

By combining ab-initio electron theory and statistical mechanics, the physical properties of the ternary intermetallic system Ni-Fe-Al in the ground state and at finite temperatures were investigated. The Ni-Fe-Al system is not only of high…

We study the thermodynamics of clean structures composed of superconductor (S) and ferromagnet (F) layers and consisting of one or more SFS junctions. We use fully self consistent numerical methods to compute the condensation free energies…

Multicomponent nitrides are a hot research topic in the search of hard coatings. The effect of substitutions on the phase stabilities, magnetic, and elastic properties of $Al_{1-x-y}Cr_{x}Ti_{y}N$ $(0\leq x,y\leq1)$ was studied using first…

We formulate a new Bardeen-Cooper-Schrieffer (BCS)-type theory at finite temperature, by deriving a set of variational equations of the free energy after the particle-number projection. With its broad applicability, this theory can be a…

We study the thermodynamics of clean, layered superconductor/ferromagnet nanostructures using fully self consistent methods to solve the microscopic Bogoliubov-deGennes equations. From these self-consistent solutions the condensation free…

By means of theoretical modeling and experimental synthesis and characterization, we investigate the structural properties of amorphous Zr-Si-C. Two chemical compositions are selected, Zr0.31Si0.29C0.40 and Zr0.60Si0.33C0.07. The amorphous…

Singularities arise in diverse disciplines and play a key role in both exploring fundamental laws of physics and making highly-sensitive sensors. Higher-order (>3) singularities, with further improved performance, however, usually require…

Supersymmetry (SUSY) has been proposed to be a central concept for the physics beyond the standard model and for a description of the strong interactions in the context of the AdS/CFT correspondence. A deeper understanding of these…

The masses, current couplings and widths of the fully heavy scalar tetraquarks $X_{\mathrm{4Q}}=QQ\overline{Q}\overline{Q}$, $Q=c, b$ are calculated by modeling them as four-quark systems composed of axial-vector diquark and antidiquark.…

Quench dynamics of fermionic superfluids are an active topic both experimentally and theoretically. Using the BCS theory, such non-equilibrium problems can be reduced to nearly independent spin dynamics, only with a time-dependent…

The lack of a mechanistic framework for chemical reactions forming inorganic extended solids presents a challenge to accelerated materials discovery. We demonstrate here a combined computational and experimental methodology to tackle this…

The characteristics of the hadron-to-quark first-order phase transition differ depending on whether charge neutrality is locally or globally fulfilled. In $\beta$-equilibrated matter, these two possibilities correspond to the Maxwell and…

As an aid to the development of hydrogen separation membranes, we predict the temperature dependent phase diagrams using first principles calculations combined with thermodynamic principles. Our method models the phase diagram without…

We apply the method of QCD sum rules to study the structure $X$ newly observed by the BESIII Collaboration in the $\phi \eta^\prime$ mass spectrum in 2.0-2.1 GeV region in the $J/\psi \rightarrow \phi \eta \eta^\prime$ decay. We construct…

Using the Thomas-Fermi quark model, a collective, spherically symmetric density of states is created to represent a gas of interacting fermions with various degeneracies at zero temperature. Over a family of multi-pentaquarks, color…

We analyze the recently discovered localized and non-uniform phases of the Banks-Fischler-Shenker-Susskind (BFSS) matrix quantum mechanics. Building on [1], we provide first-principles derivations of their properties and extend the results…

We explore phases of N=2 super Yang-Mills theory at finite quark density by introducing quark chemical potential in a D3-D7 setup. We formulate the thermodynamics of brane embeddings and find that we need to renormalize the finite chemical…

Boosted by the relentless increase of available computational resources, high-throughput calculations based on first principles methods have become a powerful tool to screen a huge range of materials. The backbone of these studies are…

Chalcogenide phase-change materials (PCMs) are important for nonvolatile memory and reconfigurable photonic technologies. The GeTe-Sb2Te3 mixture system, commonly referred to as GST, is the most well-known PCM family, but new PCMs are…

Extensive atomistic simulations based on the quasiparticle (QA) approach are performed to determine the momentous aspects of the displacive fcc/bcc phase transformation in a binary system. We demonstrate that the QA is able to predict the…