Nonequilibrium dynamics in amorphous Si3B3N7
Article Abstract:
The structural relaxation dynamics of a realistic model of the amorphous high-temperature ceramic a Si3B3N7, probing the mean-square displacement of the atoms the bond survival probability, the average energy, the specific heat and the two-point energy average is presented by extensive numerical investigation. An identification is made where a transition temperature T(sub c)=2000K below which the system can no longer ergodic and physical quantities observed over a time show a systematic parametric dependence on the waiting time or age, elapsed after the quench.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Mobile promoters on anisotropic catalysts: nickel on MoS2
Article Abstract:
A study was conducted to image the MoS2 basal plane with and without adsorbed nickel atoms at 298, 77 and 4 K using a low-temperature ultrahigh vacuum scanning tunneling microscope. The basal plan of a natural MoS2 crystal was imaged at room temperature. Results indicated a low barrier to diffusion for nickel on the basal plane of MoS2. Findings also showed that the rapid diffusion of adsorbed nickel atoms hindered the acquisition of stable images at 298 K and 77 K.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1998
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Ab initio computation of the low-temperature phase diagrams of the alkali metal iodide-bromides: M[Br.sub.x][I.sub.1-x] (0<=x<=1), where M = Li, Na, K, Rb, or Cs
Article Abstract:
The low-temperature phase diagrams of the systems MBr-MI (M = Li, Na, K, Rb, or Cs) are analyzed by exploring the Enthalpylandscapes for many different compositions, leading to candidates for solid solution-like and ordered crystalline phases. The results have shown that in the case of the LiBr-LiI system, the metastable solid solution based on the wurtzite type is generated, and the location of the miscibility gap is predicted.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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