Elastic properties and short-range structural order in mixed network former glasses

2017 ◽  
Vol 19 (24) ◽  
pp. 15942-15952 ◽  
Author(s):  
Weimin Wang ◽  
Randilynn Christensen ◽  
Brittany Curtis ◽  
David Hynek ◽  
Sydney Keizer ◽  
...  
Keyword(s):  
Light Scattering ◽  
Nmr Spectroscopy ◽  
Elastic Properties ◽  
Thermodynamic Model ◽  
Short Range ◽  
Elastic Moduli ◽  
Statistical Thermodynamic ◽  
Ternary Oxide ◽  
Oxide Glasses ◽  
Mixed Network

A new statistical thermodynamic model has been developed to describe the speciation of network former elements in ternary oxide glasses, which uses data from NMR spectroscopy and the adiabatic elastic moduli measured using Brillouin light scattering as input.

A new model linking elastic properties and ionic conductivity of mixed network former glasses

2018 ◽  
Vol 20 (3) ◽  
pp. 1629-1641 ◽  
Author(s):  
Weimin Wang ◽  
Randilynn Christensen ◽  
Brittany Curtis ◽  
Steve W. Martin ◽  
John Kieffer
Keyword(s):  
Light Scattering ◽  
Ionic Conductivity ◽  
Impedance Spectroscopy ◽  
Elastic Properties ◽  
Thermodynamic Model ◽  
Elastic Moduli ◽  
Statistical Thermodynamic ◽  
Systematic Comparison ◽  
New Model ◽  
Mixed Network

A new statistical thermodynamic model has been developed to describe the activated process of cation hopping in mixed network former glasses based on the systematic comparison between the adiabatic elastic moduli measured using Brillouin light scattering and the ionic conductivity measured using dielectric impedance spectroscopy.

High modulus oxide glasses

2015 ◽  
Vol 2015 (CICMT) ◽  
pp. 000038-000040
Author(s):  
K. Philipps ◽  
R. P. Stoffel ◽  
R. Dronskowski ◽  
R. Conradt
Keyword(s):  
Short Range ◽  
Density Functional ◽  
Elastic Moduli ◽  
Structural Changes ◽  
Glassy Phase ◽  
Oxide Glasses ◽  
High Modulus ◽  
Functional Theory ◽  
Crystalline Phases ◽  
Glassy Materials

Elastic properties of glassy materials were studied in comparison to the isochemical crystalline phases. Structural changes were studied by density-functional theory with respect to electronic, vibrational, mechanical and thermodynamic properties. It turned out that topology is essential for elastic moduli. For both, glasses and crystals, elastic moduli are a function of atomic packing density, short range order, and especially the nature of the connection of adjacent polyhedra. Both, glassy and crystalline phases, behave in a commensurable way so that the glassy phase can be handled as a member of a series of polymorphs with the same stoichiometry.

scholarly journals Statistical-thermodynamic model for light scattering from eye lens protein mixtures

2017 ◽  
Vol 146 (5) ◽  
pp. 055101 ◽  
Author(s):  
Michael M. Bell ◽  
David S. Ross ◽  
Maurino P. Bautista ◽  
Hossein Shahmohamad ◽  
Andreas Langner ◽  
...  
Keyword(s):  
Light Scattering ◽  
Thermodynamic Model ◽  
Statistical Thermodynamic ◽  
Eye Lens ◽  
Lens Protein ◽  
Eye Lens Protein

scholarly journals A thermodynamic model of thermal end elastic properties of curium

2013 ◽  
Vol 443 (1-3) ◽  
pp. 17-19 ◽  
Author(s):  
A.A. Povzner ◽  
A.N. Filanovich ◽  
V.A. Oskina
Keyword(s):  
Elastic Properties ◽  
Thermodynamic Model

Statistical Thermodynamic Model for Si/Al Ordering in Amorphous Aluminosilicates

2005 ◽  
Vol 17 (11) ◽  
pp. 2976-2986 ◽  
Author(s):  
John L. Provis ◽  
Peter Duxson ◽  
Grant C. Lukey ◽  
Jannie S. J. van Deventer
Keyword(s):  
Thermodynamic Model ◽  
Statistical Thermodynamic

scholarly journals Statistical Thermodynamic Model of Gas Adsorption in a Metal-Organic Framework Harboring a Rotaxane Molecular Shuttle

2019 ◽  
Author(s):  
Jonathan Carney ◽  
David Roundy ◽  
Cory M. Simon
Keyword(s):  
Thermodynamic Model ◽  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Adsorption Properties ◽  
Statistical Thermodynamic ◽  
Temperature Sensitive ◽  
Adsorption Sites ◽  
Metal Organic ◽  
Dynamic Components ◽  
Molecular Shuttle

Metal-organic frameworks (MOFs) are modular and adjustable nano-porous materials with applications in gas storage, separations, and sensing. Flexible/dynamic components that respond to adsorbed gas can give MOFs unique or enhanced adsorption properties. Here, we explore the adsorption properties that could be imparted to a MOF by a rotaxane molecular shuttle (RMS) in its pores. In an RMS-MOF, a macrocyclic wheel is mechanically interlocked with a strut. The wheel shuttles between stations on the strut that are also gas adsorption sites. We pose and analyze a simple statistical thermodynamic model of gas adsorption in an RMS-MOF that accounts for (i) wheel/gas competition for sites on the strut and (ii) the entropy endowed by the shuttling wheel. We determine how the amount of gas adsorbed, position of the wheel, and energy change upon adsorption depend on temperature, pressure, and the interactions of the gas/wheel with the stations. Our model reveals that, compared to an ordinary Langmuir material, the chemistry of the RMS-MOF can be tuned to render adsorption more or less temperature-sensitive and release more or less heat upon adsorption. The model also uncovers a non-monotonic relationship between temperature and the position of the wheel if gas out-competes the wheel for its preferable station.

Pb()O3-type Perovskites: Part I. Pair-correlation Theory of Order-disorder Phase Transition

1997 ◽  
Vol 12 (8) ◽  
pp. 2117-2126 ◽  
Author(s):  
Hyun M. Jang ◽  
Su-Chan Kim
Keyword(s):  
Long Range ◽  
Order Parameter ◽  
Short Range ◽  
Short Range Order ◽  
Pair Correlation ◽  
Range Order ◽  
Statistical Thermodynamic ◽  
Range Order Parameter ◽  
Long Range Order ◽  
Short Range Order Parameter

The limitation of the long-range order parameter and the necessity of the short-range order parameter for the thermodynamic description of Pb()O3-type perovskites are discussed. Based on the discussion, a statistical thermodynamic model that takes into account the configuration of the neighboring B-site ions (B′ and B″ cations) was developed. A pair-correlation approximation was used in the calculation of the configurational entropy and the long-range coulombic interaction energy between the nearest B-site ions. The theoretical calculations using Pb(Sc1/2Ta1/2)O3 (PST) and Pb(Sc1/2Nb1/2)O3 (PSN) systems indicate that the short-range order parameter persists over a wide range of temperatures examined (0–1800 K) and that there possibly occur consecutive long-range order-disorder transitions in the configuration of B-site cations. The possibility of the existence of short-range ordering above the long-range order-disorder transition temperature was also examined using the annealed PSN specimen as a typical example of Pb()O3-type perovskites.

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