Thermoelectrics by Computational Design: Progress and Opportunities

Author(s):  
Boris Kozinsky ◽  
David J. Singh

The performance of thermoelectric materials is determined by their electrical and thermal transport properties that are very sensitive to small modifications of composition and microstructure. Discovery and design of next-generation materials are starting to be accelerated by computational guidance. We review progress and challenges in the development of accurate and efficient first-principles methods for computing transport coefficients and illustrate approaches for both rapid materials screening and focused optimization. Particularly important and challenging are computations of electron and phonon scattering rates that enter the Boltzmann transport equations, and this is where there are many opportunities for improving computational methods. We highlight the first successful examples of computation-driven discoveries of high-performance materials and discuss avenues for tightening the interaction between theoretical and experimental materials discovery and optimization. Expected final online publication date for the Annual Review of Materials Science, Volume 51 is August 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.

Author(s):  
Elayne M. Thomas ◽  
Phong H. Nguyen ◽  
Seamus D. Jones ◽  
Michael L. Chabinyc ◽  
Rachel A. Segalman

Polymers that simultaneously transport electrons and ions are paramount to drive the technological advances necessary for next-generation electrochemical devices, including energy storage devices and bioelectronics. However, efforts to describe the motion of ions or electrons separately within polymeric systems become inaccurate when both species are present. Herein, we highlight the basic transport equations necessary to rationalize mixed transport and the multiscale materials properties that influence their transport coefficients. Potential figures of merit that enable a suitable performance benchmark in mixed conducting systems independent of end application are discussed. Practical design and implementation of mixed conducting polymers require an understanding of the evolving nature of structure and transport with ionic and electronic carrier density to capture the dynamic disorder inherent in polymeric materials. Expected final online publication date for the Annual Review of Materials Science, Volume 51 is July 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


Author(s):  
Aristide Gumyusenge ◽  
Armantas Melianas ◽  
Scott T. Keene ◽  
Alberto Salleo

Neuromorphic computing is becoming increasingly prominent as artificial intelligence (AI) facilitates progressively seamless interaction between humans and machines. The conventional von Neumann architecture and complementary metal-oxide semiconductor transistor scaling are unable to meet the highly demanding computational density and energy efficiency requirements of AI. Neuromorphic computing aims to address these challenges by using brain-like computing architectures and novel synaptic memories that coallocate information storage and computation, thereby enabling low latency at high energy efficiency and high memory density. Though various emerging memory devices have been extensively studied to emulate the functionality of biological synapses, there is currently no material/device system that encompasses both the needed metrics for high-performance neuromorphic computing and the required biocompatibility for potential body-computer integration. In this review, we aim to equip the reader with general design principles and materials requirements for realizing high-performance organic neuromorphic devices. We use instructive examples from recent literature to discuss each requirement, illustrating the challenges as well as future research opportunities. Though organic devices still face many challenges to become major players in neuromorphic computing, mostly due to their lack of compliance with back-end-of-the-line processes required for integration with digital logic, we propose that their biocompatibility and mechanical conformability give them an advantage for creating adaptive biointerfaces, brain-machine interfaces, and biology-inspired prosthetics. Expected final online publication date for the Annual Review of Materials Science, Volume 51 is July 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


Author(s):  
Sarah Knuckey ◽  
Joshua D. Fisher ◽  
Amanda M. Klasing ◽  
Tess Russo ◽  
Margaret L. Satterthwaite

The human rights movement is increasingly using interdisciplinary, multidisciplinary, mixed-methods, and quantitative factfinding. There has been too little analysis of these shifts. This article examines some of the opportunities and challenges of these methods, focusing on the investigation of socioeconomic human rights. By potentially expanding the amount and types of evidence available, factfinding's accuracy and persuasiveness can be strengthened, bolstering rights claims. However, such methods can also present significant challenges and may pose risks in individual cases and to the human rights movement generally. Interdisciplinary methods can be costly in human, financial, and technical resources; are sometimes challenging to implement; may divert limited resources from other work; can reify inequalities; may produce “expertise” that disempowers rightsholders; and could raise investigation standards to an infeasible or counterproductive level. This article includes lessons learned and questions to guide researchers and human rights advocates considering mixed-methods human rights factfinding. Expected final online publication date for the Annual Review of Law and Social Science, Volume 17 is October 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


2021 ◽  
Vol 54 (1) ◽  
Author(s):  
Paul D. Bates

Every year flood events lead to thousands of casualties and significant economic damage. Mapping the areas at risk of flooding is critical to reducing these losses, yet until the last few years such information was available for only a handful of well-studied locations. This review surveys recent progress to address this fundamental issue through a novel combination of appropriate physics, efficient numerical algorithms, high-performance computing, new sources of big data, and model automation frameworks. The review describes the fluid mechanics of inundation and the models used to predict it, before going on to consider the developments that have led in the last five years to the creation of the first true fluid mechanics models of flooding over the entire terrestrial land surface. Expected final online publication date for the Annual Review of Fluid Mechanics, Volume 54 is January 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


Author(s):  
Brenden W. Hamilton ◽  
Michael N. Sakano ◽  
Chunyu Li ◽  
Alejandro Strachan

Shock loading takes materials from ambient conditions to extreme conditions of temperature and nonhydrostatic stress on picosecond timescales. In molecular materials the fast loading results in temporary nonequilibrium conditions with overheated low-frequency modes and relatively cold, high-frequency, intramolecular modes; coupling the shock front with the material's microstructure and defects results in energy localization in hot spots. These processes can conspire to lead to a material response not observed under quasi-static loads. This review focuses on chemical reactions induced by dynamical loading, the understanding of which requires bringing together materials science, shock physics, and condensed matter chemistry. Recent progress in experiments and simulations holds the key to the answer of long-standing grand challenges with implications for the initiation of detonation and life on Earth. Expected final online publication date for the Annual Review of Materials Science, Volume 51 is August 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


Author(s):  
Daniel B. Miracle ◽  
Mu Li ◽  
Zhaohan Zhang ◽  
Rohan Mishra ◽  
Katharine M. Flores

Structural materials have lagged behind other classes in the use of combinatorial and high-throughput (CHT) methods for rapid screening and alloy development. The dual complexities of composition and microstructure are responsible for this, along with the need to produce bulk-like, defect-free materials libraries. This review evaluates recent progress in CHT evaluations for structural materials. High-throughput computations can augment or replace experiments and accelerate data analysis. New synthesis methods, including additive manufacturing, can rapidly produce composition gradients or arrays of discrete alloys-on-demand in bulk form, and new experimental methods have been validated for nearly all essential structural materials properties. The remaining gaps are CHT measurement of bulk tensile strength, ductility, and melting temperature and production of microstructural libraries. A search strategy designed for structural materials gains efficiency by performing two layers of evaluations before addressing microstructure, and this review closes with a future vision of the autonomous, closed-loop CHT exploration of structural materials. Expected final online publication date for the Annual Review of Materials Science, Volume 51 is August 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Maureen G. Maguire

Clinical trials for conditions affecting the visual system need to not only conform to the guidelines for all clinical trials, but also accommodate the possibility of both eyes of a single patient qualifying for the trial. In this review, I present the interplay of the key components in the design of a clinical trial, along with the modifications or options that may be available for trials addressing ocular conditions. Examples drawn from published reports of the design and results of clinical trials of ocular conditions are provided to illustrate application of the design principles. Current approaches to data analysis and reporting of trials are outlined, and the oversight and regulatory procedures to protect participants in clinical trials are discussed. Expected final online publication date for the Annual Review of Vision Science, Volume 7 is September 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Ken Nakayama

With Professor Patrick Cavanagh, I started the Harvard Vision Sciences Laboratory in 1990. Blessed with the largesse of a wealthy university, we occupied a very large common space. Here, students pursued their own projects in a uniquely cooperative and exciting scientific environment. The times were just right in the emerging and expanding field of vision science. With good thesis projects under their belt, most of the students went on to successful careers. However, my own coming of age in science did not have such promising start. It only started well into my thirties when I joined the Smith Kettlewell Eye Research Institute in San Francisco. Providentially, it was there that I had the rare and unique opportunity to work closely and essentially only with peers (not students). Through these intense collaborations, I found my way as a scientist. Most of this account describes these formative years. Expected final online publication date for the Annual Review of Vision Science, Volume 7 is September 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


Author(s):  
LaFleur Stephens-Dougan

This article reviews the literature on the persistence of racial cues and appeals in American elections. I focus on three central themes: racial priming, the influence of the Obama presidential campaigns on racial cues, and racial appeals in the context of a diversifying United States. I identify linkages across these domains while also suggesting avenues for future research. I argue that in the context of a diversifying United States, scholars should develop more measures that capture attitudes that are specific to groups other than African Americans. The nation's growing racial and ethnic diversity is also an opportunity to develop and test more theories that explain the political behavior of racial and ethnic minorities beyond the traditional black–white divide. Finally, since much of the research on racial cues focuses on whites’ racial animus, I suggest that scholars spend more time exploring how racial cues influence the behavior of whites with positive racial attitudes. Expected final online publication date for the Annual Review of Political Science, Volume 24 is May 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


Author(s):  
Albert A. Voskanyan ◽  
Alexandra Navrotsky

A renaissance of interest in crystallographic shear structures and our recent work in this remarkable class of materials inspired this review. We first summarize the geometrical aspects of shear plane formation and possible transformations in ReO3, rutile, and perovskite-based structures. Then we provide a mechanistic overview of crystallographic shear formation, plane ordering, and propagation. Next we describe the energetics of planar defect formation and interaction, equilibria between point and extended defect structures, and thermodynamic stability of shear compounds. Finally, we emphasize the remaining challenges and propose future directions in this exciting area. Expected final online publication date for the Annual Review of Materials Science, Volume 51 is July 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


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