Atomic structure insight into crystallization of undercooled liquid metal Zr during isothermal relaxation processes

Author(s):  
Dadong Wen ◽  
Yonghe Deng ◽  
Xiongying Dai ◽  
Zean Tian ◽  
Ping Peng
2019 ◽  
Vol 9 (1) ◽  
Author(s):  
F. Caporaletti ◽  
S. Capaccioli ◽  
S. Valenti ◽  
M. Mikolasek ◽  
A. I. Chumakov ◽  
...  

Abstract Understanding the glass transition requires getting the picture of the dynamical processes that intervene in it. Glass-forming liquids show a characteristic decoupling of relaxation processes when they are cooled down towards the glassy state. The faster (βJG) process is still under scrutiny, and its full explanation necessitates information at the microscopic scale. To this aim, nuclear γ-resonance time-domain interferometry (TDI) has been utilized to investigate 5-methyl-2-hexanol, a hydrogen-bonded liquid with a pronounced βJG process as measured by dielectric spectroscopy. TDI probes in fact the center-of-mass, molecular dynamics at scattering-vectors corresponding to both inter- and intra-molecular distances. Our measurements demonstrate that, in the undercooled liquid phase, the βJG relaxation can be visualized as a spatially-restricted rearrangement of molecules within the cage of their closest neighbours accompanied by larger excursions which reach out at least the inter-molecular scale and are related to cage-breaking events. In-cage rattling and cage-breaking processes therefore coexist in the βJG relaxation.


2017 ◽  
Vol 5 (22) ◽  
pp. 11214-11223 ◽  
Author(s):  
Yuanzhe Song ◽  
Xuebing Zhao ◽  
Chao Wang ◽  
Han Bi ◽  
Jie Zhang ◽  
...  

Local heterogeneity in crystal lattice is directly observed in synthesized Li2MnO3/LiMO2 (M = Ni, Mn) cathode materials. With SAED application, for the first time, we accordingly uncover that the lattice heterogeneity is induced by different Li2MnO3 atomic arrangements coexisting in same crystal domain.


2013 ◽  
Vol 66 ◽  
pp. 360-368 ◽  
Author(s):  
G.H. Li ◽  
S.P. Pan ◽  
J.Y. Qin ◽  
Z.H. Zhang ◽  
W.M. Wang

2006 ◽  
Vol 89 (12) ◽  
pp. 121911 ◽  
Author(s):  
W. Sigle ◽  
G. Richter ◽  
M. Rühle ◽  
S. Schmidt

2016 ◽  
Vol 18 (29) ◽  
pp. 19955-19965 ◽  
Author(s):  
Tapabrata Dam ◽  
Sidhartha S. Jena ◽  
Dillip K. Pradhan

An insight into thermally activated ion-hopping, relaxation dynamics and the coupled ion-conduction mechanism observed in ion-conducting polymer clay composites.


2008 ◽  
Vol 607 ◽  
pp. 167-197 ◽  
Author(s):  
N. BELOUAGGADIA ◽  
H. OLIVIER ◽  
R. BRUN

A theoretical model based on a quasi-one-dimensional formulation is developed which allows determination of the shock stand-off distance at the stagnation point of blunt bodies in hypersonic non-equilibrium flows. Despite the simple ideal dissociating gas model implemented in the theoretical approach, it gives insight into the main physics governing the shock stand-off problem. More detailed and precise data are obtained by a numerical simulation where vibrational and chemical relaxation processes as well as their interactions are taken into account. The physical modelling of these processes is based on a kinetic approach and on a generalized Chapman–Enskog method of solving the Boltzmann equation. Explicit formulae for rate constants and vibrational energy consumption are derived and incorporated into the general conservation equations. Good agreement between theoretical, numerical and experimental results is achieved which ensures a reliable and mutual validation of the different methods.


1970 ◽  
Vol 48 (22) ◽  
pp. 2707-2713 ◽  
Author(s):  
K. Jankowski

A class of truncated multipolar expansion pair functions (TMEPF) for the application in atomic structure calculations is defined and their properties as well as their relationships to pair functions which were applied previously are discussed briefly. In order to get a better insight into the effectiveness of TMEPF's in representing the properties essential for correlated pair functions a pilot calculation of the energy and expectation values of some operators for the ground state of H−, He, and Li+ is also presented.


2018 ◽  
Vol 124 (2) ◽  
pp. 025103 ◽  
Author(s):  
P. Lü ◽  
H. P. Wang ◽  
P. F. Zou ◽  
K. Zhou ◽  
L. Hu ◽  
...  

2014 ◽  
Vol 27 (1) ◽  
pp. 292-303 ◽  
Author(s):  
Mingxiang Lin ◽  
Liubin Ben ◽  
Yang Sun ◽  
Hao Wang ◽  
Zhenzhong Yang ◽  
...  

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