Diffusion Foundations最新文献

History and People of Solid-State Diffusion – An Overview 固态扩散的历史和人物-概述

Diffusion Foundations Pub Date : 2021-04-12 DOI: 10.4028/www.scientific.net/DF.29.1

H. Mehrer, G. Murch

引用次数: 2

Vacancy-Mediated Diffusion and Diffusion-Controlled Processes in Ordered Binary Intermetallics by Kinetic Monte Carlo Simulations 有序二元金属间化合物中空位介导扩散和扩散控制过程的动力学蒙特卡罗模拟

Diffusion Foundations Pub Date : 2021-04-12 DOI: 10.4028/www.scientific.net/DF.29.95

R. Kozubski, G. Murch, I. Belova

引用次数: 0

Kinetics and Thermodynamics of Fe-X (X= Al, Cr, Mn, Ti, B, and C) Melts under High Pressure 高压下Fe-X (X= Al, Cr, Mn, Ti, B, C)熔体动力学和热力学

Diffusion Foundations Pub Date : 2021-04-12 DOI: 10.4028/www.scientific.net/DF.29.143

Ying Zhang, Jian Tang, W. Wang, Yi Wu, D. Lin, Jun Wang, B. Tang, X. Hui, I. Belova, G. Murch, Jin Shan Li

{"title":"Kinetics and Thermodynamics of Fe-X (X= Al, Cr, Mn, Ti, B, and C) Melts under High Pressure","authors":"Ying Zhang, Jian Tang, W. Wang, Yi Wu, D. Lin, Jun Wang, B. Tang, X. Hui, I. Belova, G. Murch, Jin Shan Li","doi":"10.4028/www.scientific.net/DF.29.143","DOIUrl":"https://doi.org/10.4028/www.scientific.net/DF.29.143","url":null,"abstract":"The kinetic properties such as diffusivity and viscosity of the metal melt are the foundations to reveal the structure evolutions and the glass formation abilities during solidification of the investigated alloy, thus, to control the microstructures, defects and properties of materials. In this work, ab initio molecular dynamics simulations were utilized to investigate the kinetic and thermodynamic properties and the structural relaxations of Fe-X (X = 10-15 wt% Al, Cr, Mn and Ti, or 1-2wt% B and C) melts under various temperature and external pressure, which are in line with the interested concentration range of multi-component Fe-based alloys. The kinetics and structural relaxations are characterized by mean squared displacement, velocity autocorrelation function and self-intermediate scattering function. The thermodynamics properties including entropy and heat capacity are calculated by combining the vibrational and electronic contributions based on vibrational and electronic density of states. The predicted kinetics and thermodynamics properties under high temperature and pressure agree well with the experimental and theoretical results while the connection among structural relaxations and diffusion are revealed based on the Stokes-Einstein relation and the Hall-Wolynes (HW) relation. This work provides an insight into the structure-property relationships of metal melts, which are essential in the development of advanced multi-component Fe-based alloys.","PeriodicalId":311581,"journal":{"name":"Diffusion Foundations","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"113979014","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Novel Interdiffusion Analysis in Multicomponent Alloys - Part 2: Application to Quaternary, Quinary and Higher Alloys 多组分合金的新型相互扩散分析。第2部分:在四元、五元及更高级合金中的应用

Diffusion Foundations Pub Date : 2021-04-12 DOI: 10.4028/www.scientific.net/DF.29.179

I. Belova, M. Afikuzzaman, G. Murch

引用次数: 4

Novel Interdiffusion Analysis in Multicomponent Alloys - Part 1: Application to Ternary Alloys 多组分合金的新型相互扩散分析。第1部分:三元合金的应用

Diffusion Foundations Pub Date : 2021-04-12 DOI: 10.4028/www.scientific.net/DF.29.161

M. Afikuzzaman, I. Belova, G. Murch

引用次数: 5

Fundamental Core Effects in Transition Metal High-Entropy Alloys: “High-Entropy” and “Sluggish Diffusion” Effects 过渡金属高熵合金的基本核心效应:“高熵”和“缓慢扩散”效应

Diffusion Foundations Pub Date : 2021-04-12 DOI: 10.4028/www.scientific.net/DF.29.75

A. Mehta, Y. Sohn

{"title":"Fundamental Core Effects in Transition Metal High-Entropy Alloys: “High-Entropy” and “Sluggish Diffusion” Effects","authors":"A. Mehta, Y. Sohn","doi":"10.4028/www.scientific.net/DF.29.75","DOIUrl":"https://doi.org/10.4028/www.scientific.net/DF.29.75","url":null,"abstract":"High entropy alloys (HEAs) are equimolar multi-principal-element alloys (MPEAs) that are different from traditional solvent-based multicomponent alloys based on the concept of alloy design. Based on initial work by Yeh and co-workers, HEAs were postulated to exhibit four “core” effects: high entropy, sluggish diffusion, lattice distortion, and cocktail effect. Out of these four proposed core effects, “high entropy” and “sluggish diffusion” effects were most debated in the literature as these core effects directly affect the thermodynamic and kinetic understanding of HEAs. The initial work on HEAs by several researchers utilized these effects to indirectly support the experimentally observed “unique” properties, without independent investigation of these core effects. The presumed implications of these core effects resulted in justification or generalization of properties to all HEAs, e.g., all HEAs should exhibit high temperature stability based on high entropy effect, high temperature strength owing to limited grain growth, good diffusion barrier application due to sluggish diffusion kinetics, etc. However, many recent studies have challenged these core effects, and suggested that not all HEAs were observed to exhibit these core effects.","PeriodicalId":311581,"journal":{"name":"Diffusion Foundations","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115017391","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 10

Kinetic Monte Carlo Simulations for Solid State Ionics: Case Studies with the MOCASSIN Program 固态离子动力学蒙特卡罗模拟:MOCASSIN程序的案例研究

Diffusion Foundations Pub Date : 2021-04-12 DOI: 10.4028/www.scientific.net/DF.29.117

S. Grieshammer, Sebastian Eisele

{"title":"Kinetic Monte Carlo Simulations for Solid State Ionics: Case Studies with the MOCASSIN Program","authors":"S. Grieshammer, Sebastian Eisele","doi":"10.4028/www.scientific.net/DF.29.117","DOIUrl":"https://doi.org/10.4028/www.scientific.net/DF.29.117","url":null,"abstract":"Kinetic Monte Carlo simulations are a useful tool to predict and analyze the ionic conductivity in crystalline materials. We present here the basic functionalities and capabilities of our recently published Monte Carlo software for solid state ionics called MOCASSIN, exemplified by simulations of several model systems and real materials. We address the simulation of tracer correlation factors for various structures, the correlation in systems with complex migration mechanisms like interstitialcy or vehicle transport, and the impact of defect interactions on ionic conductivity. Simulations of real materials include a review of oxygen vacancy migration in doped ceria, oxygen interstitial migration in La-rich melilites, and proton conduction in acceptor doped fully hydrated barium zirconate. The results reveal the impact of defect interactions on the ionic conductivity and the importance of the defect distribution. Combinations of these effects can lead to unexpected transport behavior in solid state ionic materials, especially for multiple mobile species. Kinetic Monte Carlo simulations are therefore useful to interpret experimental data which shows unexpected behavior regarding the dependence on temperature and composition.","PeriodicalId":311581,"journal":{"name":"Diffusion Foundations","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129814575","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Techniques of Tracer Diffusion Measurements in Metals, Alloys and Compounds 金属、合金和化合物中示踪剂扩散测量技术

Diffusion Foundations Pub Date : 2021-04-12 DOI: 10.4028/www.scientific.net/DF.29.31

D. Gärtner, L. Belkacemi, V. Esin, F. Jomard, A. Fedotov, J. Schell, J. V. Osinskaya, A. V. Pokoev, C. Duhamel, A. Paul, S. Divinski

{"title":"Techniques of Tracer Diffusion Measurements in Metals, Alloys and Compounds","authors":"D. Gärtner, L. Belkacemi, V. Esin, F. Jomard, A. Fedotov, J. Schell, J. V. Osinskaya, A. V. Pokoev, C. Duhamel, A. Paul, S. Divinski","doi":"10.4028/www.scientific.net/DF.29.31","DOIUrl":"https://doi.org/10.4028/www.scientific.net/DF.29.31","url":null,"abstract":"Tracer diffusion is one of most reliable techniques for providing basic kinetic data in solids. In the present review, selected direct methods, in particular the radiotracer measurements as a superior technique due to its high sensitivity, Secondary-Ion-Mass-Spectroscopy (SIMS) profiling, X-Ray Diffraction measurements and Rutherford Backscattering Spectrometry are presented and discussed. Special attention is put on the radiotracer technique describing the currently used sectioning techniques in detail with a focus on the experimental applications and complications. The relevant experimental results are exemplary shown. Furthermore, the most recent developments and advances related to the combined tracer/inter-diffusion measurements are highlighted. It is shown that this approach offers possibilities to provide the concentration-dependent tracer diffusion coefficients of the constituting elements in multi-component alloys in high-throughput experiments. Possibilities of estimating the tracer diffusion coefficients following different types of diffusion couple methods in binary and multicomponent systems are briefly introduced. Finally, specificity of SIMS analysis of diffusion in fine-grained materials are carefully analyzed. If applicable, a direct comparison of the results obtained by different techniques is given.","PeriodicalId":311581,"journal":{"name":"Diffusion Foundations","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123480599","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 8

Influence of Radiation and Chemical Reaction on MHD Casson Nanofluid on a Stretching Sheet 辐射和化学反应对拉伸片上MHD卡森纳米流体的影响

Diffusion Foundations Pub Date : 2020-12-01 DOI: 10.4028/www.scientific.net/DF.28.57

V. Seethamahalakshmi, C. Murthy, G. V. R. Reddy

引用次数: 1

Blowing Ratio Effect on Film Cooling Performance for a Row Holes Installed in Different Trench Configurations 吹气比对不同槽型排孔气膜冷却性能的影响

Diffusion Foundations Pub Date : 2020-12-01 DOI: 10.4028/www.scientific.net/DF.28.65

K. Boualem, A. Azzi

引用次数: 1