scholarly journals Study of Tracer Diffusion Mechanism in Amorphous Metal

2012 ◽  
Vol 2012 ◽  
pp. 1-6
Author(s):  
P. H. Kien ◽  
H. V. Hue ◽  
P. K. Hung
Keyword(s):  
Amorphous Matrix ◽  
Diffusion Mechanism ◽  
Tracer Diffusion ◽  
Amorphous Metal ◽  
Neighboring Atom ◽  
Statistical Relaxation

The statistical relaxation (SR) simulation has been conducted to study the behavior of simplexes and bubbles (BB) in amorphous Co metal containing 2×105 atoms. The simulation reveals that the fraction of 4-simplex increases and n-simplex (n>4) decreases depending upon relaxation degree. The simulation found that a large number of BB vary upon relaxation degree, which could play a role of diffusion vehicle for Co atoms in amorphous matrix. The idea of the diffusion mechanism in amorphous metal is described as follows: the elemental atomic movement includes a jump of neighboring atom into the BB and then a collective displacement of a large number of atoms around BB.

scholarly journals The Diffusion Mechanism of Megaproject Citizenship Behavior: The Role of Institutional Isomorphism

2021 ◽  
Vol 13 (15) ◽  
pp. 8123
Author(s):  
Delei Yang ◽  
Jun Zhu ◽  
Qingbin Cui ◽  
Qinghua He ◽  
Xian Zheng
Keyword(s):  
Structural Equation ◽  
Diffusion Mechanism ◽  
Vital Role ◽  
Citizenship Behavior ◽  
Equation Modeling ◽  
Positive Effects ◽  
Diffusion Limited ◽  
The Relationship ◽  
Mimetic Isomorphism

Megaproject citizenship behavior (MCB) has been confirmed to a play vital role on megaproject performance. Although current research has argued that institution elements have had an impact on MCB diffusion, limited studies have empirically investigated the distinct effectiveness of various institution elements on driving MCB’s widespread diffusion in construction megaprojects. Based on institution theory, this study proposes a theoretical model comprising institutional elements (i.e., normative and mimetic isomorphism), owner’s support, relationship-based trust, and their effect or impact on MCB’s diffusion. Based on 171 industrial questionnaires collected from managers of contractors and designers in megaprojects. Partial least squares structural equation modeling (PLS-SEM) was used to validate the established model. The results indicated that both normative and mimetic isomorphism have positive effects on facilitating MCB diffusion, and owner’s support has shown partial mediation in promoting MCB diffusion through normative isomorphism, as well as full mediation in the promoting of MCB diffusion through mimetic isomorphism. Meanwhile, relationship-based trust exerts a positive moderating effect on the relationship between mimetic isomorphism and MCB. This study extends current literature on driving MCB diffusion from the perspective of institutional theory, contributing by providing four implications for megaprojects managers to “buy in” more extensive MCB.

scholarly journals Role of Nanocrystallites of Al-Based Glasses and H2O2 in Degradation Azo Dyes

Materials ◽  
2020 ◽  
Vol 14 (1) ◽  
pp. 39
Author(s):  
Qi Chen ◽  
Zhicheng Yan ◽  
Hao Zhang ◽  
KiBuem Kim ◽  
Weimin Wang
Keyword(s):  
Metallic Glasses ◽  
Azo Dye ◽  
Amorphous Matrix ◽  
Nano Scale ◽  
Transmission Electron ◽  
Melt Spun ◽  
Degradation Ability ◽  
Tem Transmission Electron Microscopy ◽  
Dye Solutions

Al-based metallic glasses have a special atomic structure and should have a unique degradation ability in azo dye solutions. The Al88Ni9Y3 (Y3), Al85Ni9Y6 (Y6) and Al82Ni9Y9 (Y9) glassy ribbons are melt spun and used in degrading methyl orange (MO) azo dye solution with adding H2O2. With increasing cY, the as-spun ribbons have an increasing GFA (glass formability) and gradually decreased the degradation rate of MO solution. TEM (transmission electron microscopy) results show that the Y3 ribbon has nano-scale crystallites, which may form the channels to transport elements to the surface for degrading the MO solution. After adding H2O2, the degradation efficiency of Al-based glasses is improved and the Y6 ribbon has formed nano-scale crystallites embedded in the amorphous matrix and it has the largest improvement in MO solution degradation. These results indicate that forming nano-scale crystallites and adding H2O2 are effective methods to improve the degradation ability of Al-based glasses in azo dye solutions.

scholarly journals Random k-Body Ensembles for Chaos and Thermalization in Isolated Systems

Entropy ◽  
2018 ◽  
Vol 20 (7) ◽  
pp. 541 ◽  
Author(s):  
Venkata Kota ◽  
Narendra Chavda
Keyword(s):  
Hermite Polynomials ◽  
Point Group ◽  
Majorana Fermions ◽  
Many Body ◽  
Boson Systems ◽  
Random Matrix Ensembles ◽  
Isolated Systems ◽  
Group Symmetries ◽  
Statistical Relaxation

Embedded ensembles or random matrix ensembles generated by k-body interactions acting in many-particle spaces are now well established to be paradigmatic models for many-body chaos and thermalization in isolated finite quantum (fermion or boson) systems. In this article, briefly discussed are (i) various embedded ensembles with Lie algebraic symmetries for fermion and boson systems and their extensions (for Majorana fermions, with point group symmetries etc.); (ii) results generated by these ensembles for various aspects of chaos, thermalization and statistical relaxation, including the role of q-hermite polynomials in k-body ensembles; and (iii) analyses of numerical and experimental data for level fluctuations for trapped boson systems and results for statistical relaxation and decoherence in these systems with close relations to results from embedded ensembles.

Revisiting the chevrel phase: Impact of dispersion corrections on the properties of Mo6S8 for cathode applications

2021 ◽  
Author(s):  
Katharina Helmbrecht ◽  
Holger Euchner ◽  
Axel Gross
Keyword(s):  
Cathode Material ◽  
Diffusion Mechanism ◽  
Charge Carrier Mobility ◽  
Charge Carriers ◽  
Dispersion Forces ◽  
Chevrel Phase ◽  
Connected Cluster ◽  
Ion Size ◽  
The Impact

While the Mo6S8 chevrel phase is frequently used as cathode material in Mg--ion batteries, theoretical studies on this material are comparatively scarce. The particular structure of the Mo6S8 phase, with rather loosely connected cluster entities, points to the important role of dispersion forces in this material. However, so far this aspect has been completely neglected in the discussion of Mo6S8 as cathode material for mono- and multivalent-ion batteries. In this work we therefore have studied the impact of dispersion forces on stability and kinetics of Mo6S8 intercalation compounds. For this purpose, a series of charge carriers (Li, Na, K, Mg, Ca, Zn, Al) has been investigated. Interestingly, dispersion forces are observed to only slightly affect the lattice spacing of the chevrel phase, nevertheless having a significant impact on insertion voltage and in particular on the charge carrier mobility in the material. Moreover, upon varying the charge carriers in the chevrel phase, their diffusion barriers are observed to scale linearly with the ion size, almost independent of the charge of the considered ions. This indicates a rather unique and geometry dominated diffusion mechanism in the chevrel phase. The consequences of these findings for the ion mobility in the chevrel phase will be carefully discussed.

Role of electronic thermal transport in amorphous metal recrystallization: A molecular dynamics study

2018 ◽  
Vol 149 (6) ◽  
pp. 064502
Author(s):  
Zachary D. McClure ◽  
Samuel Temple Reeve ◽  
Alejandro Strachan
Keyword(s):  
Molecular Dynamics ◽  
Thermal Transport ◽  
Amorphous Metal

scholarly journals Targeted live-cell nuclear delivery of the DNA ‘light-switching’ Ru(II) complex via ion-pairing with chlorophenolate counter-anions: the critical role of binding stability and lipophilicity of the ion-pairing complexes

2019 ◽  
Vol 47 (20) ◽  
pp. 10520-10528 ◽  
Author(s):  
Xi-Juan Chao ◽  
Miao Tang ◽  
Rong Huang ◽  
Chun-Hua Huang ◽  
Jie Shao ◽  
...  
Keyword(s):  
Diffusion Mechanism ◽  
Critical Role ◽  
Ion Pairing ◽  
Chlorinated Phenols ◽  
Cellular Targets ◽  
Nuclear Uptake ◽  
Active Metal ◽  
Physicochemical Factors ◽  
Better Than

Abstract We have found recently that nuclear uptake of the cell-impermeable DNA light-switching Ru(II)-polypyridyl cationic complexes such as [Ru(bpy)2(dppz)]Cl2 was remarkably enhanced by pentachlorophenol (PCP), by forming ion-pairing complexes via a passive diffusion mechanism. However, it is not clear whether the enhanced nuclear uptake of [Ru(bpy)2(dppz)]2+ is only limited to PCP, or it is a general phenomenon for other highly chlorinated phenols (HCPs); and if so, what are the major physicochemical factors in determining nuclear uptake? Here, we found that the nuclear uptake of [Ru(bpy)2(dppz)]2+ can also be facilitated by other two groups of HCPs including three tetrachlorophenol (TeCP) and six trichlorophenol (TCP) isomers. Interestingly and unexpectedly, 2,3,4,5-TeCP was found to be the most effective one for nuclear delivery of [Ru(bpy)2(dppz)]2+, which is even better than the most-highly chlorinated PCP, and much better than its two other TeCP isomers. Further studies showed that the nuclear uptake of [Ru(bpy)2(dppz)]2+ was positively correlated with the binding stability, but to our surprise, inversely correlated with the lipophilicity of the ion-pairing complexes formed between [Ru(bpy)2(dppz)]Cl2 and HCPs. These findings should provide new perspectives for future investigations on using ion-pairing as an effective method for delivering other bio-active metal complexes into their intended cellular targets.

scholarly journals Role of different factors affecting interdiffusion in Cu(Ga) and Cu(Si) solid solutions

2014 ◽  
Vol 470 (2161) ◽  
pp. 20130464 ◽  
Author(s):  
Sangeeta Santra ◽  
Hongqun Dong ◽  
Tomi Laurila ◽  
Aloke Paul
Keyword(s):  
Solid Solutions ◽  
Diffusion Coefficients ◽  
Tracer Diffusion ◽  
Impurity Diffusion ◽  
Factors Affecting ◽  
The Matrix ◽  
Bond Strengths ◽  
Interdiffusion Coefficients ◽  
Formation Energies

A detailed diffusion study was carried out on Cu(Ga) and Cu(Si) solid solutions in order to assess the role of different factors in the behaviour of the diffusing components. The faster diffusing species in the two systems, interdiffusion, intrinsic and impurity diffusion coefficients, are determined to facilitate the discussion. It was found that Cu was more mobile in the Cu–Si system, whereas Ga was the faster diffusing species in the Cu–Ga system. In both systems, the interdiffusion coefficients increased with increasing amount of solute (e.g. Si or Ga) in the matrix (Cu). Impurity diffusion coefficients for Si and Ga in Cu, found out by extrapolating interdiffusion coefficient data to zero composition of the solute, were both higher than the Cu tracer diffusion coefficient. These observed trends in diffusion behaviour could be rationalized by considering: (i) formation energies and concentration of vacancies, (ii) elastic moduli (indicating bond strengths) of the elements and (iii) the interaction parameters and the related thermodynamic factors. In summary, we have shown here that all the factors introduced in this paper should be considered simultaneously to understand interdiffusion in solid solutions. Otherwise, some of the aspects may look unusual or even impossible to explain.

Role of Interstitial and Interstitial-Impurity Interaction on Irradiation-Induced Segregation in Austenitic Steels

1997 ◽  
Vol 481 ◽  
Author(s):  
M. Nastar ◽  
P. Bellon ◽  
G. Martin ◽  
J. Ruste
Keyword(s):  
Mean Field ◽  
Tracer Diffusion ◽  
Austenitic Steels ◽  
Rate Theory ◽  
Fitting Procedure ◽  
Surfaces And Interfaces ◽  
Total Inhibition ◽  
Impurity Interaction ◽  
Jump Frequencies

ABSTRACTSegregation under irradiation in austenitic steels is due to a permanent flux of vacancies and interstitials produced by irradiation towards sinks like surfaces and interfaces. A model based on a mean field lattice rate theory is proposed where kinetics and thermodynamics are treated in a mutually consistent way. For a Fe-Ni-Cr ternary alloy, the 15 parameters defining the jump frequencies of vacancies were fitted on equilibrium properties including ordering energies and tracer diffusion experiments with no use of segregation data. Measurements of RIS by Auger Electron Spectroscopy (AES) were used in the last step of the fitting procedure in order to choose the best set of the 27 interstitial jump frequencies. This fitting procedure strongly supports the idea that the interstitials are contributing to RIS in Fe-Cr-Ni alloys. We also simulate the trapping of interstitials by an impurity model and reproduce the total inhibition of RIS by this impurity as observed experimentally [1].

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