scholarly journals Comment on “Temperature fluctuations and the thermodynamic determination of the cooperativity length in glass forming liquids” [J. Chem. Phys. 146, 104501 (2017)]

2017 ◽  
Vol 146 (22) ◽  
pp. 227101 ◽  
Author(s):  
Andrea Alessandrini ◽  
Marco Pieruccini ◽  
Elpidio Tombari
Keyword(s):  
Temperature Fluctuations ◽  
Chem Phys ◽  
Glass Forming ◽  
Thermodynamic Determination

Temperature fluctuations and the thermodynamic determination of the cooperativity length in glass forming liquids

2017 ◽  
Vol 146 (10) ◽  
pp. 104501 ◽  
Author(s):  
Y. Z. Chua ◽  
R. Zorn ◽  
O. Holderer ◽  
J. W. P. Schmelzer ◽  
C. Schick ◽  
...  
Keyword(s):  
Temperature Fluctuations ◽  
Glass Forming ◽  
Thermodynamic Determination

scholarly journals Thermodynamic determination of fragility in La-based glass-forming liquid

2011 ◽  
Vol 56 (36) ◽  
pp. 3912-3918 ◽  
Author(s):  
Ran Jia ◽  
XiuFang Bian ◽  
YingYing Wang
Keyword(s):  
Glass Forming ◽  
Thermodynamic Determination

Calorimetric determination of fragility in glass forming liquids: Tf vs. Tg-onset methods

2014 ◽  
Vol 37 (6) ◽  
Author(s):  
Zeming Chen ◽  
Zijing Li ◽  
Yaqi Zhang ◽  
Riping Liu ◽  
Yongjun Tian ◽  
...  
Keyword(s):  
Glass Forming ◽  
Calorimetric Determination

Comment on “First-principles determination of the bonding mechanism and adsorption energy for CO/MgO(001)” [Chem. Phys. Lett. 290 (1998) 255]

1999 ◽  
Vol 306 (3-4) ◽  
pp. 202-204 ◽  
Author(s):  
Francesc Illas ◽  
Gianfranco Pacchioni ◽  
Alexander Pelmenschikov ◽  
Lars G.M. Pettersson ◽  
Roberto Dovesi ◽  
...  
Keyword(s):  
Adsorption Energy ◽  
First Principles ◽  
Chem Phys ◽  
Bonding Mechanism

Erratum: Determination of the particle size required for bulk metallic properties [J. Chem. Phys. 72, 366 (1980)]

1980 ◽  
Vol 72 (12) ◽  
pp. 6820-6820 ◽  
Author(s):  
R. C. Baetzold ◽  
M. G. Mason ◽  
J. F. Hamilton
Keyword(s):  
Particle Size ◽  
Chem Phys

scholarly journals Self-consistent determination of the fictitious temperature in thermally-assisted-occupation density functional theory

RSC Advances ◽  
2017 ◽  
Vol 7 (80) ◽  
pp. 50496-50507 ◽  
Author(s):  
Chih-Ying Lin ◽  
Kerwin Hui ◽  
Jui-Hui Chung ◽  
Jeng-Da Chai
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Chem Phys ◽  
Functional Theory ◽  
Self Consistent

We propose a self-consistent scheme for the determination of the fictitious temperature in thermally-assisted-occupation density functional theory (TAO-DFT) [J.-D. Chai, J. Chem. Phys., 2012, 136, 154104].

The void fraction of melter feed during nuclear waste glass vitrification

2015 ◽  
Vol 1744 ◽  
pp. 107-112
Author(s):  
Zachary J. Hilliard ◽  
Pavel R. Hrma
Keyword(s):  
Void Fraction ◽  
Melting Process ◽  
Waste Glass ◽  
Expansion Test ◽  
Glass Forming ◽  
Glass Melter ◽  
Temperature Heating ◽  
Fraction Porosity ◽  
Profile Area

ABSTRACTTo efficiently vitrify Hanford waste, the melting process (i.e., melter feed turning into waste glass) must be modeled and optimized. The rate of heat transfer to the melter feed in a waste glass melter, and thus the rate of melting, is strongly affected by the melter feed porosity, especially in the final stages where the glass-forming melt produces foam that insulates the feed from the molten glass. The volume expansion test allows the determination of the melter feed porosity as a function of temperature. This test measures the profile area of the feed pellet as it turns into glass. This contribution presents the calculation of the void fraction (porosity) of the melter feed as a function of temperature, heating rate, and material parameters. The process of finding the void fraction is described as well as results from the application of this process.

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