scholarly journals Fully Ab-Initio Determination of the Thermoelectric Properties of Half-Heusler NiTiSn: Crucial Role of Interstitial Ni Defects

Materials ◽  
2018 ◽  
Vol 11 (6) ◽  
pp. 868 ◽  
Author(s):  
Alexandre Berche ◽  
Philippe Jund
Keyword(s):  
Ab Initio ◽  
Thermoelectric Properties ◽  
Crucial Role

scholarly journals Crucial Role of DNA Methylation in Determination of Clonally Distributed Killer Cell Ig-like Receptor Expression Patterns in NK Cells

2002 ◽  
Vol 169 (8) ◽  
pp. 4253-4261 ◽  
Author(s):  
Simeon Santourlidis ◽  
Hans-Ingo Trompeter ◽  
Sandra Weinhold ◽  
Britta Eisermann ◽  
Klaus L. Meyer ◽  
...  
Keyword(s):  
Dna Methylation ◽  
Nk Cells ◽  
Crucial Role ◽  
Expression Patterns ◽  
Killer Cell ◽  
Receptor Expression

Revisiting the reaction energetics of the CH3O˙ + O2 (3Σ−) reaction: the crucial role of post-CCSD(T) corrections

2019 ◽  
Vol 21 (12) ◽  
pp. 6559-6565 ◽  
Author(s):  
Subhasish Mallick ◽  
Amit Kumar ◽  
Pradeep Kumar
Keyword(s):  
Ab Initio ◽  
Barrier Height ◽  
Crucial Role ◽  
Reaction Energy ◽  
High Level

The CH3O˙ + O2 reaction has been studied by means of high level ab initio calculations to predict the reaction energy and barrier height with chemical accuracy.

Surfactant-Mediated Si/Ge Epitaxial Crystal Growth

1996 ◽  
Vol 448 ◽  
Author(s):  
Eunja Kim ◽  
Chan Wuk OH ◽  
Young Hee Lee
Keyword(s):  
Molecular Dynamics ◽  
Crystal Growth ◽  
Ab Initio ◽  
Crucial Role ◽  
Flat Surface ◽  
Exchange Process ◽  
Epitaxial Crystal Growth

AbstractWe investigate the kinetic role of a surfactant in the epitaxial Si/Ge crystal growth using ab initio molecular dynamics approach. We examine the previously suggested dimer-exchange mechanisms and find that kinetics plays a crucial role in determining the exchange process. We further find that the diffusion of adatoms on an island in the presence of a surfactant is quite different from the dimer-exchange process on a flat surface.

The crucial role of selenium for sulphur substitution in the structural transitions and thermoelectric properties of Cu5FeS4 bornite

2017 ◽  
Vol 46 (7) ◽  
pp. 2174-2183 ◽  
Author(s):  
V. Pavan Kumar ◽  
T. Barbier ◽  
P. Lemoine ◽  
B. Raveau ◽  
V. Nassif ◽  
...  
Keyword(s):  
Mechanical Alloying ◽  
Spark Plasma Sintering ◽  
Thermoelectric Properties ◽  
Crucial Role ◽  
Structural Transitions ◽  
Plasma Sintering ◽  
Spark Plasma

Bornite Cu5FeS4−xSex (0 ≤ x ≤ 0.6) compounds have been synthesized, using mechanical alloying, combined with spark plasma sintering (SPS).

scholarly journals The role of language within the identity structure of Molokans of Azerbaijan (on the example of rural localities Ivanovka and Novosaratovka)

Litera ◽  
2020 ◽  
pp. 13-23
Author(s):  
Ramil Sahib Abdullayev
Keyword(s):  
Early Childhood ◽  
Foreign Language ◽  
Crucial Role ◽  
Group Research ◽  
The Subject ◽  
Language Environment ◽  
Xix Century ◽  
Ethnocultural Group

The goal of this research is the comparison of identity factors that contribute to strengthening and determination of affiliation of an ethnocultural group in a foreign language environment. The subject of this research is the examination of peculiarities of language factors as an element of preservation of identity and identification of a minority ethnocultural group of Molokans residing in the territory of Azerbaijan since the early XIX century. The author reviews certain identity structures of the Molokans that assist preservation and unification of the group. Research methodology is based on the sociolinguistic practice, surveys and interviews carried out in the rural localities Ivanovka and Novosaratovka, as well as places of residence of the Molokans in Azerbaijan. The scientific novelty consist in comparative study of Molokans in the two regions of Azerbaijan, their views upon identity, lifestyle and living conditions, and linguistic peculiarities. A conclusion is drawn that Molokans consider themselves Russians; the role of language within the identity structure of Molokans plays a crucial role; language factor dominates in formation of ethnic identity and ethnic mentality, which develops in the early childhood. The results of this work can be valuable in studying the language factor as the basis in preservation of identity of small-numbered peoples after migration.

Pu-Bearing Materials - From Fundamental Science To Storage Standards

2008 ◽  
Vol 1104 ◽  
Author(s):  
Shiu-Wing Tam ◽  
Yung Liu
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Surveillance Program ◽  
Confined Space ◽  
Gas Generation ◽  
Oxygen Generation ◽  
Long Term Stability ◽  
Bearing Materials

AbstractThe behavior of plutonium (Pu) oxides in the presence of water/moisture in a confined space and the associated issues of hydrogen and oxygen generation due to radiolysis have important implications for the storage and transportation of Pu-bearing materials. This paper reviews the results of recent studies of gas generation in the Pu-O-H system, including the determination of release rates via engineering-scale measurement. The observations of the significant differences in gas generation behavior between “pure” Pu-bearing materials and those that contain salt impurities are addressed. In conjunction with the discussion of these empirical observations, the work also addresses recent scientific advances in the investigations of the Pu-O-H system using state-of-the-art ab initio electronic structure calculations, as well as advanced synchrotron techniques to determine the electronic structure of the various Pu-containing phases. The role of oxidizing species such as the hydroxyl radical from the radiolysis of water is examined. Discussed also is the challenge in the predictive ab-initio calculations of the electronic structure of the Pu-H-O system, due to the nature of the 5f valence electrons in Pu. Coupled with the continuing material surveillance program, it is anticipated that this work may help determine the electronic structure of the various Pu-containing phases and the role of impurity salts on gas generation and the long-term stability of oxygen/hydrogen-containing plutonium oxides beyond PuO2.

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