Positron chemical potential and diffusion constant in AlSb crystal compound under compression

2020 ◽  
Vol 245 ◽  
pp. 147010
Author(s):  
N. Bouarissa ◽  
H. Algarni ◽  
M. Ajmal Khan
2021 ◽  
Vol 11 (3) ◽  
Author(s):  
Žiga Krajnik ◽  
Enej Ilievski ◽  
Tomaz Prosen ◽  
Vincent Pasquier

We construct an integrable lattice model of classical interacting spins in discrete space-time, representing a discrete-time analogue of the lattice Landau-Lifshitz ferromagnet with uniaxial anisotropy. As an application we use this explicit discrete symplectic integration scheme to compute the spin Drude weight and diffusion constant as functions of anisotropy and chemical potential. We demonstrate qualitatively different behavior in the easy-axis and the easy-plane regimes in the non-magnetized sector. Upon approaching the isotropic point we also find an algebraic divergence of the diffusion constant, signaling a crossover to spin superdiffusion.


2007 ◽  
Vol 130 (1) ◽  
pp. 111-116 ◽  
Author(s):  
Artem B. Mamonov ◽  
Rob D. Coalson ◽  
Mark L. Zeidel ◽  
John C. Mathai

Determining the mechanisms of flux through protein channels requires a combination of structural data, permeability measurement, and molecular dynamics (MD) simulations. To further clarify the mechanism of flux through aquaporin 1 (AQP1), osmotic pf (cm3/s/pore) and diffusion pd (cm3/s/pore) permeability coefficients per pore of H2O and D2O in AQP1 were calculated using MD simulations. We then compared the simulation results with experimental measurements of the osmotic AQP1 permeabilities of H2O and D2O. In this manner we evaluated the ability of MD simulations to predict actual flux results. For the MD simulations, the force field parameters of the D2O model were reparameterized from the TIP3P water model to reproduce the experimentally observed difference in the bulk self diffusion constants of H2O vs. D2O. Two MD systems (one for each solvent) were constructed, each containing explicit palmitoyl-oleoyl-phosphatidyl-ethanolamine (POPE) phospholipid molecules, solvent, and AQP1. It was found that the calculated value of pf for D2O is ∼15% smaller than for H2O. Bovine AQP1 was reconstituted into palmitoyl-oleoyl-phosphatidylcholine (POPC) liposomes, and it was found that the measured macroscopic osmotic permeability coefficient Pf (cm/s) of D2O is ∼21% lower than for H2O. The combined computational and experimental results suggest that deuterium oxide permeability through AQP1 is similar to that of water. The slightly lower observed osmotic permeability of D2O compared to H2O in AQP1 is most likely due to the lower self diffusion constant of D2O.


Crystals ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 727
Author(s):  
Bofang Zhou ◽  
Taohua Li ◽  
Hongxia Zhang ◽  
Junliang Hou

The interface behavior of brazing between Zr-Cu filler metal and SiC ceramic was investigated. Based on the brazing experiment, the formation of brazing interface products was analyzed using OM, SEM, XRD and other methods. The stable chemical potential phase diagram was established to analyze the possible diffusion path of interface elements, and then the growth behavior of the interface reaction layer was studied by establishing relevant models. The results show that the interface reaction between the active element Zr and SiC ceramic is the main reason in the brazing process the interface products are mainly ZrC and Zr2Si and the possible diffusion path of elements in the product formation process is explained. The kinetic equation of interfacial reaction layer growth is established, and the diffusion constant (2.1479 μm·s1/2) and activation energy (42.65 kJ·mol−1) are obtained. The growth kinetics equation of interfacial reaction layer thickness with holding time at different brazing temperatures is obtained.


Science ◽  
1955 ◽  
Vol 121 (3137) ◽  
pp. 215-216 ◽  
Author(s):  
J. VERDUIN

1990 ◽  
Vol 41 (7) ◽  
pp. 3672-3688 ◽  
Author(s):  
K. C. Hasson ◽  
G. D. Cates ◽  
K. Lerman ◽  
P. Bogorad ◽  
W. Happer

2020 ◽  
Vol 175 (12) ◽  
Author(s):  
John Wheeler

AbstractThe interplay between stress and chemical processes is a fundamental aspect of how rocks evolve, relevant for understanding fracturing due to metamorphic volume change, deformation by pressure solution and diffusion creep, and the effects of stress on mineral reactions in crust and mantle. There is no agreed microscale theory for how stress and chemistry interact, so here I review support from eight different types of the experiment for a relationship between stress and chemistry which is specific to individual interfaces: (chemical potential) = (Helmholtz free energy) + (normal stress at interface) × (molar volume). The experiments encompass temperatures from -100 to 1300 degrees C and pressures from 1 bar to 1.8 GPa. The equation applies to boundaries with fluid and to incoherent solid–solid boundaries. It is broadly in accord with experiments that describe the behaviours of free and stressed crystal faces next to solutions, that document flow laws for pressure solution and diffusion creep, that address polymorphic transformations under stress, and that investigate volume changes in solid-state reactions. The accord is not in all cases quantitative, but the equation is still used to assist the explanation. An implication is that the chemical potential varies depending on the interface, so there is no unique driving force for reaction in stressed systems. Instead, the overall evolution will be determined by combinations of reaction pathways and kinetic factors. The equation described here should be a foundation for grain-scale models, which are a prerequisite for predicting larger scale Earth behaviour when stress and chemical processes interact. It is relevant for all depths in the Earth from the uppermost crust (pressure solution in basin compaction, creep on faults), reactive fluid flow systems (serpentinisation), the deeper crust (orogenic metamorphism), the upper mantle (diffusion creep), the transition zone (phase changes in stressed subducting slabs) to the lower mantle and core mantle boundary (diffusion creep).


2008 ◽  
Vol 273-276 ◽  
pp. 381-387 ◽  
Author(s):  
Giovanni Mazzolai

The diffusion of H and the thermal decomposition of hydrides have been investigated at high temperatures in two PdCe alloys of composition 5% and 9% Ce. It has been found that the H diffusion coefficient obeys an Arrhenius-type of law with the following values of the activation energy W and diffusion constant D0, ( )     = ± × = ± − s m D W eV 2 7 0 2 2 10 0.20 0.02 (Pd95Ce5 alloy) ( )     = ± × = ± − s m D W eV 2 7 0 2 1 10 0.24 0.01 (Pd91Ce9 alloy) The high-temperature absorption data match the low-temperature ones deduced from internal friction measurements, indicating that Ce atoms do not act as strong trapping centres for H. Thermal decomposition of hydrides in the Pd95Ce5H0.008 alloy occurs in a single stage showing a homogeneous solid solution state of the H-Me system.


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