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We use ab initio pseudopotential total energy calculations with a plane wave basis set to investigate the structural energetics of various phases of polymorphic NbN. Particular attention is given to its recently discovered superconducting…

mtrl-th · Physics 2015-06-26 S. Ogut , K. M. Rabe

Complex mesoscopic systems play increasingly important roles in modern science -- from understanding biological functions at the molecular level, to designing solid-state information processing devices. The operation of these systems…

Quantum Physics · Physics 2016-09-16 Felix A. Pollock , Agata Chęcińska , Saverio Pascazio , Kavan Modi

We introduce a novel coarse-grained bead-spring model for flexible polymers to systematically examine the effects of an adjusted bonded potential on the formation and stability of structural macrostates in a thermal environment. The density…

Biological Physics · Physics 2019-02-11 Kai Qi , Benjamin Liewehr , Tomas Koci , Busara Pattanasiri , Matthew J. Williams , Michael Bachmann

We study the phase separation of binary lipid mixtures that form bicontinuous cubic phases. The competition between non-uniform Gaussian membrane curvature and line tension leads to a very rich phase diagram, where we observe symmetry…

Soft Condensed Matter · Physics 2016-08-24 Fabien Paillusson , Matthew R. Pennington , Halim Kusumaatmaja

Using a minimal algebraic model for the thermodynamics of binary rod--polymer mixtures, we provide evidence for a quintuple phase equilibrium; an observation that seems to be at odds with the Gibbs phase rule for two-component systems. Our…

Soft Condensed Matter · Physics 2020-09-21 V. F. D. Peters , M. Vis , Á. González García , H. H. Wensink , R. Tuinier

Using a minimal model based on the continuum theory of a 2D hard-core/square-shoulder ensemble, we reinterpret the main features of cluster mesophases formed by colloids with soft concave repulsive interactions. We rederive the lattice…

Soft Condensed Matter · Physics 2011-06-06 P. Ziherl , Randall D. Kamien

The aim of this paper is two-fold. First, via a phenomenological consideration I show that, equally with the conventional phases (body-centred cubic, hexagonal planar and lamellar), such non-conventional phases as simple cubic,…

Soft Condensed Matter · Physics 2007-05-23 Igor Erukhimovich

We investigate the liquid state structure of the two-dimensional (2D) model introduced by Barkan et al. [Phys. Rev. Lett. 113, 098304 (2014)], which exhibits quasicrystalline and other unusual solid phases, focussing on the radial…

Soft Condensed Matter · Physics 2018-09-03 M. C. Walters , P. Subramanian , A. J. Archer , R. Evans

Understanding the phase behaviour of mixtures continues to pose challenges, even for systems that might be considered "simple". Here we consider a very simple mixture of two colloidal and one non-adsorbing polymer species which can be…

In frameworks of the phenomenological approach we analyze of the phase diagram of mixed compounds. We obtain space groups of symmetry of the real structures as result of phase transition from close-packed degenerate structure. The theory of…

Statistical Mechanics · Physics 2007-05-23 B. R. Gadjiev

We work out the phase-space structure for a system of $n$ qubits. We replace the field of real numbers that label the axes of the continuous phase space by the finite field $\Gal{2^n}$ and investigate the geometrical structures compatible…

Quantum Physics · Physics 2009-10-14 A. B. Klimov , J. L. Romero , G. Bjork , L. L. Sanchez-Soto

We discuss structural correlations in mixtures of free polymer and colloidal particles based on a microscopic, 2-component liquid state integral equation theory. Whereas in the case of polymers much smaller than the spherical particles the…

Soft Condensed Matter · Physics 2009-11-07 Matthias Fuchs , Kenneth S. Schweizer

A sequence of structural transitions occurring in the quasi-one-dimensional (1D) 3d1 system BaVS3 at low temperature was investigated by high resolution synchrotron X-ray diffraction. The orthorhombic Cmc21 structure of the…

Strongly Correlated Electrons · Physics 2009-11-10 S. Fagot , P. Foury-Leylekian , S. Ravy , J. P. Pouget , M. Anne , G. Popov , M. V. Lobanov , M. Greenblatt

We report the first results of our three-dimensional, mesoscopic, amphiphilic lattice-Boltzmann model, which has been used to simulate the dynamics of self-assembly of ordered cubic and lamellar phases in binary water-surfactant systems.…

Soft Condensed Matter · Physics 2007-05-23 Maziar Nekovee , Peter V. Coveney

Old and novel layered structures are attracting increasing attention for their physical, electronic, and frictional properties. SiS$_2$, isoelectronic to SiO$_2$, CO$_2$ and CS$_2$, is a material whose phases known experimentally up to 6…

Chemical Physics · Physics 2016-09-13 Dušan Plašienka , Roman Martoňák , Erio Tosatti

We study theoretically the scattering imprint of a number of branched supramacromolecular architectures, namely, polydisperse stars and dendrimeric, hyperbranched structures. We show that polydispersity and nature of branching highly…

Soft Condensed Matter · Physics 2009-11-07 Carlos I. Mendoza , Carlos M. Marques

The phase diagram of colloidal hard superballs, of which the shape interpolates between cubes and octahedra via spheres, is determined by free-energy calculations in Monte Carlo simulations. We discover not only a stable face-centered cubic…

Soft Condensed Matter · Physics 2012-08-21 Ran Ni , Anjan Prasad Gantapara , Joost de Graaf , René van Roij , Marjolein Dijkstra

We investigate the formation of a two-dimensional quasicrystal in a monodisperse system, using molecular dynamics simulations of hard sphere particles interacting via a two-dimensional square-well potential. We find that more than one…

Soft Condensed Matter · Physics 2009-10-31 A. Skibinsky , S. V. Buldyrev , A. Scala , S. Havlin , H. E. Stanley

The rich mesophase polymorhism and the phase sequence of board-like colloids depends critically on their shape anisometry. Implementing extensive Monte Carlo simulations, we calculated the full phase diagram of sterically interacting…

Soft Condensed Matter · Physics 2013-09-10 Stavros D. Peroukidis , Alexandros G. Vanakaras

The design of complex materials and the formation of specific patterns often arise from the properties of the individual building blocks. In this respect, colloidal systems offer a unique opportunity because nowadays they can be synthesized…

Soft Condensed Matter · Physics 2022-03-01 Fabrizio Camerin , Emanuela Zaccarelli