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Annual Review of Materials Research最新文献

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Modeling Corrosion with First-Principles Electrochemical Phase Diagrams 用第一原理电化学相图建模腐蚀
IF 9.7 2区 材料科学
Annual Review of Materials Research Pub Date : 2019-07-01 DOI: 10.1146/ANNUREV-MATSCI-070218-010105
Liang-Feng Huang, J. Scully, J. Rondinelli
{"title":"Modeling Corrosion with First-Principles Electrochemical Phase Diagrams","authors":"Liang-Feng Huang, J. Scully, J. Rondinelli","doi":"10.1146/ANNUREV-MATSCI-070218-010105","DOIUrl":"https://doi.org/10.1146/ANNUREV-MATSCI-070218-010105","url":null,"abstract":"Understanding and predicting materials corrosion under electrochemical environments are of increasing importance to both established and developing industries and technologies, including construction, marine materials, geology, and biomedicine, as well as to energy generation, storage, and conversion. Owing to recent progress in the accuracy and capability of density functional theory (DFT) calculations to describe the thermodynamic stability of materials, this powerful computational tool can be used both to describe materials corrosion and to design materials with the desired corrosion resistance by using first-principles electrochemical phase diagrams. We review the progress in simulating electrochemical phase diagrams of bulk solids, surface systems, and point defects in materials using DFT methods as well as the application of these ab initio phase diagrams in realistic environments. We conclude by summarizing the remaining challenges in the thermodynamic modeling of materials corrosion and promising future research directions.","PeriodicalId":8055,"journal":{"name":"Annual Review of Materials Research","volume":"38 1","pages":""},"PeriodicalIF":9.7,"publicationDate":"2019-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87033304","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 32
Iron Aluminides 铁铝化合物
IF 9.7 2区 材料科学
Annual Review of Materials Research Pub Date : 2019-07-01 DOI: 10.1146/annurev-matsci-070218-125911
M. Palm, F. Stein, G. Dehm
{"title":"Iron Aluminides","authors":"M. Palm, F. Stein, G. Dehm","doi":"10.1146/annurev-matsci-070218-125911","DOIUrl":"https://doi.org/10.1146/annurev-matsci-070218-125911","url":null,"abstract":"The iron aluminides discussed here are Fe–Al-based alloys, in which the matrix consists of the disordered bcc (Fe,Al) solid solution (A2) or the ordered intermetallic phases FeAl (B2) and Fe3Al (D03). These alloys possess outstanding corrosion resistance and high wear resistance and are lightweight materials relative to steels and nickel-based superalloys. These materials are evoking new interest for industrial applications because they are an economic alternative to other materials, and substantial progress in strengthening these alloys at high temperatures has recently been achieved by applying new alloy concepts. Research on iron aluminides started more than a century ago and has led to many fundamental findings. This article summarizes the current knowledge of this field in continuation of previous reviews.","PeriodicalId":8055,"journal":{"name":"Annual Review of Materials Research","volume":"66 1","pages":""},"PeriodicalIF":9.7,"publicationDate":"2019-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89115770","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 70
Mechanical Control of Magnetic Order: From Phase Transition to Skyrmions 磁序的机械控制:从相变到Skyrmions
IF 9.7 2区 材料科学
Annual Review of Materials Research Pub Date : 2019-07-01 DOI: 10.1146/ANNUREV-MATSCI-070218-010200
Jie Wang
{"title":"Mechanical Control of Magnetic Order: From Phase Transition to Skyrmions","authors":"Jie Wang","doi":"10.1146/ANNUREV-MATSCI-070218-010200","DOIUrl":"https://doi.org/10.1146/ANNUREV-MATSCI-070218-010200","url":null,"abstract":"Topological magnetic structures such as domain walls, vortices, and skyrmions have recently received considerable attention because of their potential application in advanced functional devices. Tuning the magnetic order of the topological structures can result in emergent functionalities and thus lead to novel application concepts. Strain engineering is one promising approach with which to control magnetic order via magneto-elastic coupling in ferromagnets. By introducing lattice deformation, mechanical strain not only can trigger the magnetic phase transition but also can be used to manipulate topological magnetic orders in ferromagnets. The present review is based on magneto-elastic coupling as the coherent basis of the mechanical control of different topological magnetic orders. Following a description of magneto-elastic coupling, we review recent progress in the mechanical control of the magnetic phase transition and topological structures, including magnetic domain walls, vortices, and skyrmions. The review concludes by briefly addressing the future research directions in the field.","PeriodicalId":8055,"journal":{"name":"Annual Review of Materials Research","volume":"21 1","pages":""},"PeriodicalIF":9.7,"publicationDate":"2019-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91080688","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 34
Systems Approaches to Materials Design: Past, Present, and Future 材料设计的系统方法:过去，现在和未来
IF 9.7 2区 材料科学
Annual Review of Materials Research Pub Date : 2019-07-01 DOI: 10.1146/ANNUREV-MATSCI-070218-125955
R. Arróyave, D. McDowell
{"title":"Systems Approaches to Materials Design: Past, Present, and Future","authors":"R. Arróyave, D. McDowell","doi":"10.1146/ANNUREV-MATSCI-070218-125955","DOIUrl":"https://doi.org/10.1146/ANNUREV-MATSCI-070218-125955","url":null,"abstract":"There is increasing awareness of the imperative to accelerate materials discovery, design, development, and deployment. Materials design is essentially a goal-oriented activity that views the material as a complex system of interacting subsystems with models and experiments at multiple scales of materials structure hierarchy. The goal of materials design is effectively to invert quantitative relationships between process path, structure, and materials properties or responses to identify feasible materials. We first briefly discuss challenges in framing process-structure-property relationships for materials and the critical role of quantifying uncertainty and tracking its propagation through analysis and design. A case study exploiting inductive design of ultrahigh-performance concrete is briefly presented. We focus on important recent directions and key scientific challenges regarding the highly collaborative intersections of materials design with systems engineering, uncertainty quantification and management, optimization, and materials data science and informatics, which are essential to fueling continued progress in systems-based materials design.","PeriodicalId":8055,"journal":{"name":"Annual Review of Materials Research","volume":"27 1","pages":""},"PeriodicalIF":9.7,"publicationDate":"2019-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89912518","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 45
Understanding, Predicting, and Designing Ferroelectric Domain Structures and Switching Guided by the Phase-Field Method 用相场法来理解、预测和设计铁电畴结构和开关
IF 9.7 2区 材料科学
Annual Review of Materials Research Pub Date : 2019-07-01 DOI: 10.1146/ANNUREV-MATSCI-070218-121843
Jianjun Wang, Bo Wang, Long-qing Chen
{"title":"Understanding, Predicting, and Designing Ferroelectric Domain Structures and Switching Guided by the Phase-Field Method","authors":"Jianjun Wang, Bo Wang, Long-qing Chen","doi":"10.1146/ANNUREV-MATSCI-070218-121843","DOIUrl":"https://doi.org/10.1146/ANNUREV-MATSCI-070218-121843","url":null,"abstract":"Understanding mesoscale ferroelectric domain structures and their switching behavior under external fields is critical to applications of ferroelectrics. The phase-field method has been established as a powerful tool for probing, predicting, and designing the formation of domain structures under different electromechanical boundary conditions and their switching behavior under electric and/or mechanical stimuli. Here we review the basic framework of the phase-field model of ferroelectrics and its applications to simulating domain formation in bulk crystals, thin films, superlattices, and nanostructured ferroelectrics and to understanding macroscopic and local domain switching under electrical and/or mechanical fields. We discuss the possibility of utilizing the structure-property relationship learned from phase-field simulations to design high-performance relaxor piezoelectrics and electrically tunable thermal conductivity. The review ends with a summary of and an outlook on the potential new applications of the phase-field method of ferroelectrics.","PeriodicalId":8055,"journal":{"name":"Annual Review of Materials Research","volume":"1 1","pages":""},"PeriodicalIF":9.7,"publicationDate":"2019-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79986172","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 94
Time-Resolved X-Ray Microscopy for Materials Science 用于材料科学的时间分辨x射线显微镜
IF 9.7 2区 材料科学
Annual Review of Materials Research Pub Date : 2018-11-09 DOI: 10.1146/ANNUREV-MATSCI-070616-124014
H. Wen, M. Cherukara, M. Holt
{"title":"Time-Resolved X-Ray Microscopy for Materials Science","authors":"H. Wen, M. Cherukara, M. Holt","doi":"10.1146/ANNUREV-MATSCI-070616-124014","DOIUrl":"https://doi.org/10.1146/ANNUREV-MATSCI-070616-124014","url":null,"abstract":"X-ray microscopy has been an indispensable tool to image nanoscale properties for materials research. One of its recent advances is extending microscopic studies to the time domain to visualize the dynamics of nanoscale phenomena. Large-scale X-ray facilities have been the powerhouse of time-resolved X-ray microscopy. Their upgrades, including a significant reduction of the X-ray emittance at storage rings (SRs) and fully coherent ultrashort X-ray pulses at free-electron lasers (FELs), will lead to new developments in instrumentation and will open new scientific opportunities for X-ray imaging of nanoscale dynamics with the simultaneous attainment of unprecedentedly high spatial and temporal resolutions. This review presents recent progress in and the outlook for time-resolved X-ray microscopy in the context of ultrafast nanoscale imaging and its applications to condensed matter physics and materials science.","PeriodicalId":8055,"journal":{"name":"Annual Review of Materials Research","volume":"34 1","pages":""},"PeriodicalIF":9.7,"publicationDate":"2018-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85559390","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 29
Topological Semimetals from First Principles 第一原理的拓扑半金属
IF 9.7 2区 材料科学
Annual Review of Materials Research Pub Date : 2018-10-18 DOI: 10.1146/annurev-matsci-070218-010049
Heng Gao, J. Venderbos, Youngkuk Kim, A. Rappe
{"title":"Topological Semimetals from First Principles","authors":"Heng Gao, J. Venderbos, Youngkuk Kim, A. Rappe","doi":"10.1146/annurev-matsci-070218-010049","DOIUrl":"https://doi.org/10.1146/annurev-matsci-070218-010049","url":null,"abstract":"We review recent theoretical progress in the understanding and prediction of novel topological semimetals. Topological semimetals define a class of gapless electronic phases exhibiting topologically stable crossings of energy bands. Different types of topological semimetals can be distinguished on the basis of the degeneracy of the band crossings, their codimension (e.g., point or line nodes), and the crystal space group symmetries on which the protection of stable band crossings relies. The dispersion near the band crossing is a further discriminating characteristic. These properties give rise to a wide range of distinct semimetal phases such as Dirac or Weyl semimetals, point or line node semimetals, and type I or type II semimetals. In this review we give a general description of various families of topological semimetals, with an emphasis on proposed material realizations from first-principles calculations. The conceptual framework for studying topological gapless electronic phases is reviewed, with a particular focus on the symmetry requirements of energy band crossings, and the relation between the different families of topological semimetals is elucidated. In addition to the paradigmatic Dirac and Weyl semimetals, we pay particular attention to more recent examples of topological semimetals, which include nodal line semimetals, multifold fermion semimetals, and triple-point semimetals. Less emphasis is placed on their surface state properties, their responses to external probes, and recent experimental developments.","PeriodicalId":8055,"journal":{"name":"Annual Review of Materials Research","volume":"4 1","pages":""},"PeriodicalIF":9.7,"publicationDate":"2018-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79383175","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 134
Applications of DFT + DMFT in Materials Science DFT + DMFT在材料科学中的应用
IF 9.7 2区 材料科学
Annual Review of Materials Research Pub Date : 2018-09-24 DOI: 10.1146/annurev-matsci-070218-121825
A. Paul, T. Birol
{"title":"Applications of DFT + DMFT in Materials Science","authors":"A. Paul, T. Birol","doi":"10.1146/annurev-matsci-070218-121825","DOIUrl":"https://doi.org/10.1146/annurev-matsci-070218-121825","url":null,"abstract":"First-principles methods can provide insight into materials that is otherwise impossible to acquire. Density functional theory (DFT) has been the first-principles method of choice for numerous applications, but it falls short of predicting the properties of correlated materials. First-principles DFT + dynamical mean field theory (DMFT) is a powerful tool that can address these shortcomings of DFT when applied to correlated metals. In this brief review, which is aimed at nonexperts, we review the basics and some applications of DFT + DMFT.","PeriodicalId":8055,"journal":{"name":"Annual Review of Materials Research","volume":"2015 1","pages":""},"PeriodicalIF":9.7,"publicationDate":"2018-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87014097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 42
Topological Semimetals in Square-Net Materials 方网材料中的拓扑半金属
IF 9.7 2区 材料科学
Annual Review of Materials Research Pub Date : 2018-08-20 DOI: 10.1146/annurev-matsci-070218-010114
S. Klemenz, Shiming Lei, L. Schoop
{"title":"Topological Semimetals in Square-Net Materials","authors":"S. Klemenz, Shiming Lei, L. Schoop","doi":"10.1146/annurev-matsci-070218-010114","DOIUrl":"https://doi.org/10.1146/annurev-matsci-070218-010114","url":null,"abstract":"Many materials crystallize in structure types that feature a square net of atoms. While these compounds can exhibit many different properties, some members of this family are topological materials. Within the square-net-based topological materials, the observed properties are rich, ranging, for example, from nodal-line semimetals to a bulk half-integer quantum Hall effect. Hence, the potential for guided design of topological properties is enormous. Here we provide an overview of the crystallographic and electronic properties of these phases and show how they are linked, with the goal of understanding which square-net materials can be topological, and predict additional examples. We close the review by discussing the experimentally observed electronic properties in this family.","PeriodicalId":8055,"journal":{"name":"Annual Review of Materials Research","volume":"24 1","pages":""},"PeriodicalIF":9.7,"publicationDate":"2018-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87253745","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 95
Materials for Gamma-Ray Spectrometers: Inorganic Scintillators 伽马射线光谱仪用材料:无机闪烁体
IF 9.7 2区 材料科学
Annual Review of Materials Research Pub Date : 2018-07-01 DOI: 10.1146/ANNUREV-MATSCI-070616-124247
D. Mcgregor
{"title":"Materials for Gamma-Ray Spectrometers: Inorganic Scintillators","authors":"D. Mcgregor","doi":"10.1146/ANNUREV-MATSCI-070616-124247","DOIUrl":"https://doi.org/10.1146/ANNUREV-MATSCI-070616-124247","url":null,"abstract":"Scintillation detectors constitute an important branch of radiation detection instrumentation. The discovery of the inorganic scintillating compound thallium-activated sodium iodide (NaI:Tl) in 1948 was key to the production of the first practical gamma-ray spectrometer. Since that time, numerous inorganic scintillators have been discovered and studied. Many of the more successful inorganic scintillators are described, including discussion of their properties and performance, in this article.","PeriodicalId":8055,"journal":{"name":"Annual Review of Materials Research","volume":"118 1","pages":""},"PeriodicalIF":9.7,"publicationDate":"2018-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87936939","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 60
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