Atomic mobility, diffusivity and diffusion growth simulation for fcc Cu–Mn–Ni alloys

Calphad ◽  
2011 ◽  
Vol 35 (3) ◽  
pp. 367-375 ◽  
Author(s):  
Weibin Zhang ◽  
Yong Du ◽  
Lijun Zhang ◽  
Honghui Xu ◽  
Shuhong Liu ◽  
...  
Keyword(s):  
Atomic Mobility ◽  
Growth Simulation ◽  
Diffusion Growth ◽  
Ni Alloys ◽  
And Diffusion

Preparation of V-based Alloy Membranes using Chemical Transport Process

2002 ◽  
Vol 752 ◽  
Author(s):  
Tetsuya Ozaki ◽  
Yi Zhang ◽  
Masao Komaki ◽  
Chikashi Nishimura
Keyword(s):  
Substrate Temperature ◽  
Chemical Transport ◽  
Fused Silica ◽  
Hydrogen Purification ◽  
Silica Tube ◽  
Source Temperature ◽  
Ni Substrate ◽  
Ni Alloys ◽  
Ni Alloy ◽  
And Diffusion

ABSTRACTNovel preparation process of V-Ni alloys for hydrogen purification membrane using chemical transport was investigated. Vanadium, NH4Cl, and PtCl2 as evaporating source were put in one side of a fused-silica tube, and Ni substrate was put in the other side. The fused-silica tube was sealed in vacuo, and set in a furnace with temperature gradients. Evaporating source temperature was 1173–1273 K. Substrate temperature was 3–100 K higher than the evaporating source temperature. This process consists of formation of HCl from NH4Cl and PtCl2, chemical transport of vanadium under temperature gradient via chlorides in the presence of HCl, and diffusion of the transported V into the Ni substrate. EDX line profile of cross section of the substrates after the process demonstrated that V diffused into the Ni substrates. Distribution of V concentration in the substrates was dependent on the substrate temperature and the temperature difference between the substrate and the evaporating source. Heating condition was optimized to obtain homogeneous V-Ni alloy. When the substrate temperature and evaporating-source temperature were 1228 K and 1223 K, respectively, V diffused homogeneously into the Ni substrate with thickness of 20 μm, and V concentration attained in the substrate was higher than 70at%.

Atomic mobility evaluation and diffusion matrix for fcc_A1 Co–V–W alloys

2019 ◽  
Vol 54 (20) ◽  
pp. 13420-13432 ◽  
Author(s):  
Shiyi Wen ◽  
Yong Du ◽  
Yuling Liu ◽  
Peng Zhou ◽  
Zi-kui Liu
Keyword(s):  
Atomic Mobility ◽  
Diffusion Matrix ◽  
And Diffusion

The Diffusion Isotope Effect and Diffusion Mechanism in Liquid Cu-Ag and Cu-Ni Alloys

2021 ◽  
Vol 413 ◽  
pp. 136-145
Author(s):  
Ujjal Sarder ◽  
Tumpa R. Paul ◽  
Irina V. Belova ◽  
Graeme E. Murch
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Isotope Effect ◽  
Composition Dependence ◽  
Diffusion Mechanism ◽  
Liquid Alloys ◽  
Ni Alloys ◽  
Effect Parameter ◽  
Dynamics Simulations ◽  
And Diffusion

In this paper, the diffusion isotope effect and diffusion mechanism are investigated by means of molecular dynamics simulations in two liquid alloys, Ni-Ag and Ni-Cu. The values for the diffusion isotope effect parameter allow for the estimate of the number of atoms which are moving cooperatively in a basic diffusion event as experienced by a given atomic species. It is shown that the composition dependence of ND is typically very small. However, the temperature dependence of this parameter is much more pronounced. In addition, it is shown that, on average, in these alloys and temperatures considered, ND is limited to the range: 5<ND<17. This is consistent with results of molecular dynamics simulations on the average coordination number calculations. This would suggest that, together with a given atom, depending on temperature, the neighbouring atoms are all involved in the basic diffusion event.

Coalescence and diffusion growth of nanoparticles in closed microvolume of supersaturated solution

2010 ◽  
Vol 72 (6) ◽  
pp. 825-829 ◽  
Author(s):  
N. V. Pavlyukevich ◽  
S. P. Fisenko ◽  
Yu. A. Khodyko
Keyword(s):  
Supersaturated Solution ◽  
Diffusion Growth ◽  
And Diffusion

Reactions at metal-semiconductor interfaces

1989 ◽  
Vol 47 ◽  
pp. 448-449
Author(s):  
Robert Sinclair
Keyword(s):  
Binary Phase Diagram ◽  
Elevated Temperatures ◽  
Local Equilibrium ◽  
Electrical Performance ◽  
Atomic Mobility ◽  
Semiconductor Interface ◽  
Semiconductor Interfaces ◽  
Device Processing ◽  
And Diffusion ◽  
Prolonged Service

Examination of the architecture of a semiconductor-based microelectronics device shows that metallic, highly conductive components are an integral part of the miniature circuits. As geometries become increasingly small (e.g. at the sub-micron level) the structure at critical interfaces influences the electrical performance to a greater extent. Accordingly metal-semiconductor junctions have significant technological importance, in addition to any natural scientific interest associated with the bonding of two unlike materials. This article reviews some of our recent work on this topic, with particular emphasis on the reactions which can occur either during fabrication of the interface or upon heating in conjunction with device processing or prolonged service.The simplest system consists of an elemental metal and an elemental semiconductor, silicon being the most important example of the latter. Consideration of phase equilibria indicates that such an interface is thermodynamically unstable: upon heating either a reaction can occur to produce a compound phase (i.e. a silicide), or mutual dissolution of the elements within each other takes place to achieve saturated solid solution compositions. Reference to the appropriate binary phase diagram allows prediction of the result if local equilibrium is achieved. Thus although an atomically abrupt metal-semiconductor interface might be grown under specialized circumstances, this situation can be expected to be unusual and moreover it is not stable to elevated temperatures when atomic mobility and diffusion are rapid.

scholarly journals Atomic mobility in Titanium grade 5 (Ti6Al4V)

2019 ◽  
Vol 55 (1) ◽  
pp. 65-77 ◽  
Author(s):  
W. Gierlotka ◽  
G. Lothongkum ◽  
B. Lohwongwatana ◽  
C. Puncreoburt
Keyword(s):  
Heat Treatment ◽  
Wide Spectrum ◽  
Atomic Mobility ◽  
Modern Material ◽  
Grade 5 ◽  
Packed Structure ◽  
Titanium Grade ◽  
Material Information ◽  
And Diffusion ◽  
Good Agreement

Titanium grade 5 (Ti6Al4V) is a modern material that can be found in a wide spectrum of applications, from medicine to aircraft industry. The commercial alloy is a mix of a body centered cubic structure (BCC_A2) and a hexagonal closed packed structure (HCP_A3). It is obvious, that heat treatment of the alloy will change a ratio between BCC_A2 and HCP_A3 and, as a consequence, properties of a material. Information about mobility of atoms in both crystal structures allows simulations and predictions of structures? behavior during the heat treatment and diffusion. In this work the atomic mobility in liquid, BCC_A2, and HCP_A3 phases of ternary alloy Al ? Ti ? V were obtained based on available literature information. Comparison between simulations and experiments shows a good agreement, hence it can be concluded that proposed set of kinetic parameters can be used for predictions and simulations of Titanium grade 5 heat treatment.

Sign in / Sign up

Export Citation Format

Share Document