Negative thermal expansion of quartz glass at low temperatures: An ab initio simulation study

2017 ◽  
Vol 468 ◽  
pp. 82-91 ◽  
Author(s):  
C. Scherer ◽  
J. Horbach ◽  
F. Schmid ◽  
M. Letz
Keyword(s):  
Thermal Expansion ◽  
Ab Initio ◽  
Quartz Glass ◽  
Simulation Study ◽  
Low Temperatures ◽  
Negative Thermal Expansion ◽  
Ab Initio Simulation

scholarly journals Neutron Brillouin scattering and ab initio simulation study of the collective dynamics of liquid silver

2020 ◽  
Vol 102 (5) ◽  
Author(s):  
Eleonora Guarini ◽  
Alessio De Francesco ◽  
Ubaldo Bafile ◽  
Alessio Laloni ◽  
Beatriz G. del Rio ◽  
...  
Keyword(s):  
Ab Initio ◽  
Simulation Study ◽  
Brillouin Scattering ◽  
Ab Initio Simulation ◽  
Liquid Silver ◽  
Collective Dynamics

scholarly journals Negative thermal expansion and anomalies of heat capacity of LuB50 at low temperatures

2015 ◽  
Vol 44 (36) ◽  
pp. 15865-15871 ◽  
Author(s):  
V. V. Novikov ◽  
N. A. Zhemoedov ◽  
A. V. Matovnikov ◽  
N. V. Mitroshenkov ◽  
S. V. Kuznetsov ◽  
...  
Keyword(s):  
Heat Capacity ◽  
Thermal Expansion ◽  
Low Temperatures ◽  
Negative Thermal Expansion ◽  
Temperature Range

Heat capacity and thermal expansion of LuB50 boride were experimentally studied in the 2–300 K temperature range.

Cluster Formation in Sodium-Doped Zeolite Y: Ab-Initio Simulation Study

1995 ◽  
Vol 99 (17) ◽  
pp. 6697-6714 ◽  
Author(s):  
C. P. Ursenbach ◽  
P. A. Madden ◽  
I. Stich ◽  
M. C. Payne
Keyword(s):  
Ab Initio ◽  
Simulation Study ◽  
Zeolite Y ◽  
Cluster Formation ◽  
Ab Initio Simulation

Negative thermal expansion in a zirconium tungstate/epoxy composite at low temperatures

2013 ◽  
Vol 49 (1) ◽  
pp. 392-396 ◽  
Author(s):  
Lauren A. Neely ◽  
Vladimir Kochergin ◽  
Erich M. See ◽  
Hans D. Robinson
Keyword(s):  
Thermal Expansion ◽  
Low Temperatures ◽  
Epoxy Composite ◽  
Negative Thermal Expansion ◽  
Zirconium Tungstate

Scrutinizing negative thermal expansion in MOF-5 by scattering techniques and ab initio calculations

2013 ◽  
Vol 42 (6) ◽  
pp. 1996-2007 ◽  
Author(s):  
Nina Lock ◽  
Mogens Christensen ◽  
Yue Wu ◽  
Vanessa K. Peterson ◽  
Maja K. Thomsen ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Negative Thermal Expansion

Negative Thermal Expansion Properties and the Role of Guest Alkali Atoms in LnFe(CN)6 (Ln = Y, La) from ab Initio Calculations

2018 ◽  
Vol 122 (23) ◽  
pp. 12421-12427 ◽  
Author(s):  
Dahu Chang ◽  
Changqing Wang ◽  
Zaiping Zeng ◽  
Chunyan Wang ◽  
Fei Wang ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Negative Thermal Expansion ◽  
Alkali Atoms

scholarly journals Stretching and breaking of PEO nanofibres. A classical force field and ab initio simulation study

Soft Matter ◽  
2020 ◽  
Vol 16 (11) ◽  
pp. 2736-2752 ◽  
Author(s):  
Eivind Bering ◽  
Astrid S. de Wijn
Keyword(s):  
Mechanical Properties ◽  
Force Field ◽  
Ab Initio ◽  
Simulation Study ◽  
Ab Initio Simulation

Nanometric bundles are considered in nearly atomistic detail, studying the effect of chain–chain interactions on the mechanical properties.

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