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Hybrid Thermoelectrics 混合热电技术
IF 9.7 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2020-07-01 DOI: 10.1146/annurev-matsci-082319-111001
Jia Liang, Shujia Yin, Chunlei Wan
Constructing hybrid composites with organic and inorganic materials at different length scales provides unconventional opportunities in the field of thermoelectric materials, which are classified as hybrid crystal, superlattice, and nanocomposite. A variety of new techniques have been proposed to fabricate hybrid thermoelectric materials with homogeneous microstructures and intimate interfaces, which are critical for good thermoelectric performance. The combination of organic and inorganic materials at the nano or atomic scale can cause strong perturbation in the structural, electron, and phonon characteristics, providing new mechanisms to decouple electrical and thermal transport properties that are not attainable in the pure organic or inorganic counterparts. Because of their increasing thermoelectric performance, compositional diversity, mechanical flexibility, and ease of fabrication, hybrid materials have become the most promising candidates for flexible energy harvesting and solid-state cooling.
用不同长度尺度的有机和无机材料构建杂化复合材料为热电材料领域提供了非常规的机会,热电材料被分类为杂化晶体、超晶格和纳米复合材料。人们提出了各种新技术来制备具有均匀微观结构和紧密界面的杂化热电材料,这是良好热电性能的关键。有机和无机材料在纳米或原子尺度上的结合可以引起结构、电子和声子特性的强烈扰动,提供了在纯有机或无机材料中无法实现的电和热传输特性解耦的新机制。由于其不断提高的热电性能、成分多样性、机械灵活性和易于制造,混合材料已成为柔性能量收集和固态冷却最有前途的候选者。
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引用次数: 9
Angle-Resolved Photoemission Spectroscopy Study of Topological Quantum Materials 拓扑量子材料的角分辨光发射光谱研究
IF 9.7 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2020-07-01 DOI: 10.1146/annurev-matsci-070218-121852
Chaofan Zhang, Yiwei Li, D. Pei, Zhongkai Liu, Yulin Chen
The recently discovered topological quantum materials (TQMs) have electronic structures that can be characterized by certain topological invariants. In these novel materials, the unusual bulk and s...
最近发现的拓扑量子材料(TQMs)具有可以用某些拓扑不变量表征的电子结构。在这些新型材料中,不同寻常的体积和体积……
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引用次数: 9
Opportunities and Challenges for Machine Learning in Materials Science 材料科学中机器学习的机遇与挑战
IF 9.7 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2020-06-25 DOI: 10.1146/annurev-matsci-070218-010015
D. Morgan, R. Jacobs
Advances in machine learning have impacted myriad areas of materials science, such as the discovery of novel materials and the improvement of molecular simulations, with likely many more important developments to come. Given the rapid changes in this field, it is challenging to understand both the breadth of opportunities and the best practices for their use. In this review, we address aspects of both problems by providing an overview of the areas in which machine learning has recently had significant impact in materials science, and then we provide a more detailed discussion on determining the accuracy and domain of applicability of some common types of machine learning models. Finally, we discuss some opportunities and challenges for the materials community to fully utilize the capabilities of machine learning.
机器学习的进步已经影响了材料科学的无数领域,比如新材料的发现和分子模拟的改进,未来可能会有更多重要的发展。考虑到该领域的快速变化,了解机会的广度和最佳使用实践是一项挑战。在这篇综述中,我们通过概述机器学习最近在材料科学中产生重大影响的领域来解决这两个问题,然后我们对确定一些常见类型的机器学习模型的准确性和适用性领域进行了更详细的讨论。最后,我们讨论了材料界充分利用机器学习能力的一些机遇和挑战。
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引用次数: 162
Epitaxial Growth of Two-Dimensional Layered Transition Metal Dichalcogenides 二维层状过渡金属二硫族化合物的外延生长
IF 9.7 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2019-09-08 DOI: 10.1146/annurev-matsci-090519-113456
T. Choudhury, Xiaotian Zhang, Zakaria Y. Al Balushi, M. Chubarov, J. Redwing
Transition metal dichalcogenide (TMD) monolayers and heterostructures have emerged as a compelling class of materials with transformative properties that may be harnessed for novel device technologies. These materials are commonly fabricated by exfoliation of flakes from bulk crystals, but wafer-scale epitaxy of single-crystal films is required to advance the field. This article reviews the fundamental aspects of epitaxial growth of van der Waals–bonded crystals specific to TMD films. The structural and electronic properties of TMD crystals are initially described along with sources and methods used for vapor phase deposition. Issues specific to TMD epitaxy are critically reviewed, including substrate properties and film-substrate orientation and bonding. The current status of TMD epitaxy on different substrate types is discussed along with characterization techniques for large-areaepitaxial films. Future directions are proposed, including developments in substrates, in situ and full-wafer characterization techniques, and heterostructure growth.
过渡金属二硫化物(TMD)单层和异质结构已经成为一类引人注目的具有转化特性的材料,可以用于新型器件技术。这些材料通常是通过从大块晶体中剥离薄片来制造的,但是单晶薄膜的晶圆级外延需要推进该领域。本文综述了TMD薄膜中范德华键结晶体外延生长的基本方面。首先描述了TMD晶体的结构和电子特性,以及气相沉积的来源和方法。对TMD外延的具体问题进行了严格的审查,包括衬底性质和薄膜-衬底取向和键合。讨论了不同衬底上TMD外延的现状以及大面积外延薄膜的表征技术。提出了未来的发展方向,包括衬底、原位和全晶圆表征技术以及异质结构生长。
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引用次数: 41
Transport of Topological Semimetals 拓扑半金属的输运
IF 9.7 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2019-07-01 DOI: 10.1146/annurev-matsci-070218-010023
Jin Hu, Su-Yang Xu, N. Ni, Z. Mao
Three-dimensional (3D) topological semimetals represent a new class of topological matters. The study of this family of materials has been at the frontiers of condensed matter physics, and many breakthroughs have been made. Several topological semimetal phases, including Dirac semimetals (DSMs), Weyl semimetals (WSMs), nodal-line semimetals (NLSMs), and triple-point semimetals, have been theoretically predicted and experimentally demonstrated. The low-energy excitation around the Dirac/Weyl nodal points, nodal line, or triply degenerated nodal point can be viewed as emergent relativistic fermions. Experimental studies have shown that relativistic fermions can result in a rich variety of exotic transport properties, e.g., extremely large magnetoresistance, the chiral anomaly, and the intrinsic anomalous Hall effect. In this review, we first briefly introduce band structural characteristics of each topological semimetal phase, then review the current studies on quantum oscillations and exotic transport properties of various topological semimetals, and finally provide a perspective of this area.
三维拓扑半金属是一类新的拓扑物质。对这类材料的研究一直处于凝聚态物理的前沿,并取得了许多突破。几种拓扑半金属相,包括狄拉克半金属(DSMs), Weyl半金属(WSMs),节线半金属(nlsm)和三点半金属,已经从理论上预测和实验证明。在Dirac/Weyl节点、节点线或三重简并节点周围的低能激发可以看作是涌现的相对论性费米子。实验研究表明,相对论性费米子可以产生丰富多样的奇异输运性质,如极大的磁阻、手性异常和本征异常霍尔效应。本文首先简要介绍了各拓扑半金属相的能带结构特征,然后综述了各种拓扑半金属的量子振荡和外来输运性质的研究现状,最后展望了该领域的发展前景。
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引用次数: 66
The Phase Field Method: Mesoscale Simulation Aiding Material Discovery 相场法:辅助材料发现的中尺度模拟
IF 9.7 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2019-07-01 DOI: 10.1146/ANNUREV-MATSCI-070218-010151
M. Tonks, L. Aagesen
Mesoscale modeling and simulation approaches provide a bridge from atomic-scale methods to the macroscale. The phase field (PF) method has emerged as a powerful and popular tool for mesoscale simulation of microstructure evolution, and its use is growing at an ever-increasing rate. While initial research using the PF method focused on model development, as it has matured it has been used more and more for material discovery. In this review we focus on applying the PF method for material discovery. We start with a brief summary of the method, including numerical approaches for solving the PF equations. We then give seven examples of the application of the PF method for material discovery. We also discuss four barriers to its use for material discovery and provide approaches for how these barriers can be overcome. Finally, we detail four lessons that can be learned from the examples on how best to apply the PF method for material discovery.
中尺度建模和模拟方法提供了从原子尺度方法到宏观尺度方法的桥梁。相场(PF)方法作为一种强大而流行的中尺度模拟微观结构演变的工具,其应用正以越来越快的速度增长。虽然使用PF方法的最初研究主要集中在模型开发上,但随着它的成熟,它已越来越多地用于材料发现。在这篇综述中,我们的重点是应用PF方法的材料发现。我们首先简要概述了该方法,包括求解PF方程的数值方法。然后,我们给出了PF方法在材料发现中的七个应用实例。我们还讨论了将其用于材料发现的四个障碍,并提供了如何克服这些障碍的方法。最后,我们详细介绍了可以从如何最好地应用PF方法进行材料发现的例子中学到的四个教训。
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引用次数: 38
Advances in Density-Functional Calculations for Materials Modeling 材料模型密度泛函计算研究进展
IF 9.7 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2019-07-01 DOI: 10.1146/ANNUREV-MATSCI-070218-010143
R. Maurer, C. Freysoldt, A. Reilly, J. Brandenburg, O. Hofmann, T. Björkman, S. Lebègue, A. Tkatchenko
During the past two decades, density-functional (DF) theory has evolved from niche applications for simple solid-state materials to become a workhorse method for studying a wide range of phenomena in a variety of system classes throughout physics, chemistry, biology, and materials science. Here, we review the recent advances in DF calculations for materials modeling, giving a classification of modern DF-based methods when viewed from the materials modeling perspective. While progress has been very substantial, many challenges remain on the way to achieving consensus on a set of universally applicable DF-based methods for materials modeling. Hence, we focus on recent successes and remaining challenges in DF calculations for modeling hard solids, molecular and biological matter, low-dimensional materials, and hybrid organic-inorganic materials.
在过去的二十年中,密度泛函(DF)理论已经从简单固态材料的小众应用发展成为研究物理、化学、生物和材料科学中各种系统类中广泛现象的主要方法。在这里,我们回顾了材料建模中DF计算的最新进展,从材料建模的角度对现代基于DF的方法进行了分类。虽然取得了很大的进展,但在达成一套普遍适用的基于df的材料建模方法的共识的道路上仍然存在许多挑战。因此,我们将重点关注硬固体、分子和生物物质、低维材料和有机-无机杂化材料建模中DF计算的最新成功和仍然存在的挑战。
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引用次数: 80
Materials for Automotive Lightweighting 汽车轻量化材料
IF 9.7 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2019-07-01 DOI: 10.1146/ANNUREV-MATSCI-070218-010134
A. Taub, E. Moor, A. Luo, D. Matlock, J. Speer, U. Vaidya
Reducing the weight of automobiles is a major contributor to increased fuel economy. The baseline materials for vehicle construction, low-carbon steel and cast iron, are being replaced by materials with higher specific strength and stiffness: advanced high-strength steels, aluminum, magnesium, and polymer composites. The key challenge is to reduce the cost of manufacturing structures with these new materials. Maximizing the weight reduction requires optimized designs utilizing multimaterials in various forms. This use of mixed materials presents additional challenges in joining and preventing galvanic corrosion.
减轻汽车的重量是提高燃油经济性的一个主要因素。汽车制造的基础材料,低碳钢和铸铁,正在被具有更高比强度和刚度的材料所取代,如先进的高强钢、铝、镁和聚合物复合材料。关键的挑战是用这些新材料降低制造结构的成本。最大限度地减轻重量需要优化设计,利用各种形式的多种材料。这种混合材料的使用在连接和防止电偶腐蚀方面提出了额外的挑战。
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引用次数: 125
Cold Sintering: Progress, Challenges, and Future Opportunities 冷烧结:进展、挑战和未来机遇
IF 9.7 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2019-07-01 DOI: 10.1146/ANNUREV-MATSCI-070218-010041
Jing Guo, Rich Floyd, Sarah Lowum, J. Maria, T. H. D. Beauvoir, J. Seo, C. Randall
Cold sintering is an unusually low-temperature process that uses a transient transport phase, which is most often liquid, and an applied uniaxial force to assist in densification of a powder compact. By using this approach, many ceramic powders can be transformed to high-density monoliths at temperatures far below the melting point. In this article, we present a summary of cold sintering accomplishments and the current working models that describe the operative mechanisms in the context of other strategies for low-temperature ceramic densification. Current observations in several systems suggest a multiple-stage densification process that bears similarity to models that describe liquid phase sintering. We find that grain growth trends are consistent with classical behavior, but with activation energy values that are lower than observed for thermally driven processes. Densification behavior in these low-temperature systems is rich, and there is much to be investigated regarding mass transport within and across the liquid-solid interfaces that populate these ceramics during densification. Irrespective of mechanisms, these low temperatures create a new opportunity spectrum to design grain boundaries and create new types of nanocomposites among material combinations that previously had incompatible processing windows. Future directions are discussed in terms of both the fundamental science and engineering of cold sintering.
冷烧结是一种异常低温的过程,它使用瞬态传输相,通常是液体,并施加单轴力来帮助粉末致密化。通过使用这种方法,许多陶瓷粉末可以在远低于熔点的温度下转化为高密度的单体。在这篇文章中,我们总结了冷烧结的成就和当前的工作模型,描述了在其他低温陶瓷致密化策略背景下的运作机制。目前在几个系统中的观察表明,多阶段致密化过程与描述液相烧结的模型相似。我们发现晶粒生长趋势与经典行为一致,但活化能值低于热驱动过程中观察到的值。这些低温系统中的致密化行为是丰富的,在致密化过程中,关于填充这些陶瓷的液-固界面内部和之间的质量传递还有很多需要研究的。无论机制如何,这些低温为设计晶界创造了新的机会,并在以前具有不相容加工窗口的材料组合中创造了新型纳米复合材料。从冷烧结的基础科学和工程两个方面讨论了未来的发展方向。
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引用次数: 134
Challenges of the Circular Economy: A Material, Metallurgical, and Product Design Perspective 循环经济的挑战:从材料、冶金和产品设计的角度
IF 9.7 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2019-07-01 DOI: 10.1146/ANNUREV-MATSCI-070218-010057
M. Reuter, A. Schaik, J. Gutzmer, N. Bartie, Alejandro Abadías-Llamas
Circular economy's (CE) noble aims maximize resource efficiency (RE) by, for example, extending product life cycles and using wastes as resources. Modern society's vast and increasing amounts of waste and consumer goods, their complexity, and functional material combinations are challenging the viability of the CE despite various alternative business models promising otherwise. The metallurgical processing of CE-enabling technologies requires a sophisticated and agile metallurgical infrastructure. The challenges of reaching a CE are highlighted in terms of, e.g., thermodynamics, transfer processes, technology platforms, digitalization of the processes of the CE stakeholders, and design for recycling (DfR) based on a product (mineral)-centric approach, highlighting the limitations of material-centric considerations. Integrating product-centric considerations into the water, energy, transport, heavy industry, and other smart grid systems will maximize the RE of future smart sustainable cities, providing the fundamental detail for realizing and innovating the United Nation's Sustainability Development Goals.
循环经济(CE)的崇高目标是通过延长产品生命周期和利用废物作为资源来最大限度地提高资源效率(RE)。现代社会的大量和不断增加的废物和消费品,它们的复杂性和功能材料组合正在挑战CE的可行性,尽管有各种不同的商业模式有不同的前景。支持ce的技术的冶金处理需要复杂和灵活的冶金基础设施。达到CE的挑战在热力学、转移过程、技术平台、CE利益相关者过程的数字化以及基于产品(矿物)中心方法的回收设计(DfR)方面得到了强调,突出了以材料为中心的考虑的局限性。将以产品为中心的考虑融入到水、能源、交通、重工业和其他智能电网系统中,将最大限度地实现未来智能可持续城市的可再生能源,为实现和创新联合国可持续发展目标提供基础细节。
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引用次数: 102
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Annual Review of Materials Research
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