Space-time rigidity and viscoelasticity of glass forming liquids: The case of chalcogenides

Flores‐Ruiz, Hugo M.; Toledo-Marín, J. Quetzalcóatl; Moukarzel, Cristian F.; Naumis, Gerardo G.

doi:10.1016/j.nocx.2022.100117

Cited by 4 publications

(3 citation statements)

References 79 publications

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“…A diamond-like-carbon (DLC) thin film of 150 nm in thickness was coated to prevent glass adhesion on the mold core’s surface and to improve the lifetime of the mold. The composition of the chalcogenide glass used in this study was Ge 28 Sb 12 Se 60 (IRG25, SCHOT Co., Mainz, Germany); its properties are indicated in Table 1 [ 12 , 13 , 14 ].…”

Section: Experiments and Discussionmentioning

confidence: 99%

Transferability of Diffractive Structure in the Compression Molding of Chalcogenide Glass

et al. 2023

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This study investigates the use of Ge28Sb12Se60 chalcogenide glass for the compression molding of an infrared optical lens with a diffractive structure. Firstly, a mold core was prepared through ultra-precision grinding of tungsten carbide, and a chalcogenide glass preform was crafted through a polishing process and designed with a radius that would prevent gas isolation during the molding process. The test lens was then molded at various temperature conditions using the prepared mold core and preform. The diffractive structures of both the mold core and the resulting molded lens were analyzed using a microscope and white light interferometer. The comparison of these diffractive structures revealed that the molding temperature had an effect on the transferability of the diffractive structure during the molding of the chalcogenide glass lens. Furthermore, it was determined that, when the molding temperature was properly adjusted, the diffractive structure of the core could be fully transferred to the surface of the chalcogenide lens. Optimized chalcogenide glass-based lenses have the potential to serve as cost-effective yet high-performance IR optics.

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Section: Experiments and Discussionmentioning

confidence: 99%

Transferability of Diffractive Structure in the Compression Molding of Chalcogenide Glass

et al. 2023

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“…As covalent bonds are much stronger, this implies that the energy landscape pathways are defined by such directional bonds. In fact, when such a hierarchy is present, the available entropy is just renormalized by one of the contributions from the ideal case [79]. Therefore, the RK method is well-suited to studying systems with well-defined directional bonding, as is the case with carbon compounds or network glass formers.…”

Section: Discussionmentioning

confidence: 99%

“…Furthermore, substantial reformation of the structural motifs is often observed, resulting from events such as bond breaking in the liquid state [61]. Even melts of elements in the same column of the periodic table, such as Te and Se, exhibit notably different behaviors [66][67][68][69][70][71][72][73][74][75][76][77][78][79] and, therefore, present totally different abilities to form glasses [80]. Elements can also have different coordination numbers.…”

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confidence: 99%

Richard Kerner’s Path Integral Approach Aims to Understand the Self-Organized Matter Agglomeration and Its Translation into the Energy Landscape Kinetics Paradigm

Naumis

2023

Axioms

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Matter grows and self-assembles to produce complex structures such as virus capsids, carbon fullerenes, proteins, glasses, etc. Due to its complexity, performing pen-and-paper calculations to explain and describe such assemblies is cumbersome. Many years ago, Richard Kerner presented a pen-and-paper path integral approach to understanding self-organized matter. Although this approach successfully addressed many important problems, including the yield of fullerene formation, the glass transition temperature of doped chalcogenide glasses, the fraction of boroxol rings in B2O3 glasses, the first theoretical explanation for the empirical recipe of window and Pyrex glass and the understanding of virus capsid self-assembly, it still is not the primary choice when tackling similar problems. The reason lies in the fact that it diverges from mainstream approaches based on the energy landscape paradigm and non-equilibrium thermodynamics. In this context, a critical review is presented, demonstrating that the Richard Kerner method is, in fact, a clever way to identify relevant configurations. Its equations are simplified common physical sense versions of those found in the energy landscape kinetic equations. Subsequently, the utilization of equilibrium Boltzmann factors in the transition Markov chain probabilities is analyzed within the context of local two-level energy landscape models kinetics. This analysis demonstrates that their use remains valid when the local energy barrier between reaction coordinate states is small compared to the thermal energy. This finding places the Richard Kerner model on par with other more sophisticated methods and, hopefully, will promote its adoption as an initial and useful choice for describing the self-agglomeration of matter.

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Compressibility, diffusivity, and elasticity in relationship with ionic conduction: An atomic scale description of densified Li2S${\rm Li}_2{\rm S}$–SiS2${\rm SiS}_2$ glasses

Micoulaut,

Poitras,

Sørensen

et al. 2024

J Am Ceram Soc.

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We examine the dynamic and ionic properties of a typical sulfide glass electrolyte 50–50 using molecular dynamics simulations and a previously parameterized force‐field able to describe both the crystalline phase and the corresponding glass. We especially focus on the effect of moderate pressures on the glassy and supercooled state since the design of all‐solid state batteries use molding conditions at moderate pressures in order to achieve contact between the electrolyte and the electrodes. The behavior of the conductivity with pressure permits to define an activation volume and to infer the role of compressibility and diffusivity, the latter contributing dominantly to ionic conduction, whereas temperature does not seem to impact the structural properties. These features are linked with the underlying dynamics of the Li ions as studied here by computing the longitudinal and transversal atomic species current correlations. The resulting elasticity is found to be close to experimental values.

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Space-time rigidity and viscoelasticity of glass forming liquids: The case of chalcogenides

Cited by 4 publications

References 79 publications

Transferability of Diffractive Structure in the Compression Molding of Chalcogenide Glass

Transferability of Diffractive Structure in the Compression Molding of Chalcogenide Glass

Richard Kerner’s Path Integral Approach Aims to Understand the Self-Organized Matter Agglomeration and Its Translation into the Energy Landscape Kinetics Paradigm

Compressibility, diffusivity, and elasticity in relationship with ionic conduction: An atomic scale description of densified Li2S${\rm Li}_2{\rm S}$–SiS2${\rm SiS}_2$ glasses

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