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Hidden polymorphs drive vitrification in B2O3

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TLDR
This work discovers the existence of previously unknown B(2)O(3) crystalline polymorphs with structural properties similar to the glass and formation energies comparable to the known ambient crystal, and reaffirms the role played by polymorphism in a system's ability to vitrify.
Abstract
Whether a liquid forms a crystal or a glass on solidification depends on many factors. The finding now that a disordered structure is favoured in B2O3 because the system cannot choose between several crystalline polymorphs of similar energy highlights a link between glass formation and crystallization.

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Citations
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Thermodynamic limit for synthesis of metastable inorganic materials.

TL;DR: A thermodynamic upper limit on the energy scale, above which the laboratory synthesis of a polymorph is highly unlikely, is presented, defined on the basis of the amorphous state, and its utility is validated by effectively classifying more than 700 polymorphs in 41 common inorganic material systems in the Materials Project for synthesizability.
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High Quality Factor, Ultralow Sintering Temperature Li6B4O9 Microwave Dielectric Ceramics with Ultralow Density for Antenna Substrates

TL;DR: Li6B4O9 microwave dielectric ceramics were synthesized at low temperature via solid-state reaction using Li2CO3 and LiBO2 as mentioned in this paper, and a prototype patch antenna was fabricated by tape casting and screen printing.
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Structure-property correlations in TiO 2 -Bi 2 O 3 -B 2 O 3 -TeO 2 glasses

TL;DR: In this paper, the structure-property correlations were carried out by density measurements, X-ray diffraction, Differential Scanning Calorimetry (DSC), Raman, FTIR, UV-visible and 11 B MAS-NMR studies.
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Liquid-liquid transition and polyamorphism.

TL;DR: How to physically rationalize the existence of two or more liquids (glasses) for a single-component substance is discussed and the relationship between liquid-, amorphous-, and crystal-polymorphisms is discussed, putting a particular focus on the roles of thermodynamics, mechanics, and kinetics.
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Structural, optical, dielectric and thermal properties of molybdenum tellurite and borotellurite glasses

TL;DR: In this article, the short-range structure of molybdenum tellurite glasses consists of TeO 4, TeO 3 and MoO 6 structural units, and it was found that the annealing increases the glass density slightly, but it causes a drastic enhancement of T g by 10°C, due to the structural rearrangements in the intermediate range order without effecting Te O and Mo O speciation.
References
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Journal ArticleDOI

Generalized Gradient Approximation Made Simple

TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
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Soft self-consistent pseudopotentials in a generalized eigenvalue formalism.

TL;DR: Novel features are that the pseudopotential itself becomes charge-state dependent, the usual norm-conservation constraint does not apply, and a generalized eigenproblem is introduced.
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First principles methods using CASTEP

TL;DR: The CASTEP program as mentioned in this paper is a computer program for first principles electro-Nic structure calculations, and some of its features and capabilities are described and near-future development plans outlined.
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The SIESTA method for ab initio order-N materials simulation

TL;DR: In this paper, a selfconsistent density functional method using standard norm-conserving pseudopotentials and a flexible, numerical linear combination of atomic orbitals basis set, which includes multiple-zeta and polarization orbitals, was developed and implemented.
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Porous, Crystalline, Covalent Organic Frameworks

TL;DR: Covalent organic frameworks (COFs) have been designed and successfully synthesized by condensation reactions of phenyl diboronic acid and hexahydroxytriphenylene to form rigid porous architectures with pore sizes ranging from 7 to 27 angstroms.
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