Oxford open materials science最新文献_第4页

Direct ink writing 3D printing of polydimethylsiloxane-based soft and composite materials: a mini review 基于聚二甲基硅氧烷的软质和复合材料的直接墨水书写3D打印：综述

Oxford open materials science Pub Date : 2022-10-07 DOI: 10.1093/oxfmat/itac008

Y. Li, Bo Li

引用次数: 4

An anisotropic negative thermal expansion metamaterial with sign-toggling and sign-programmable Poisson’s ratio 具有符号可切换和符号可编程泊松比的各向异性负热膨胀材料

Oxford open materials science Pub Date : 2022-09-28 DOI: 10.1093/oxfmat/itac007

T. Lim

{"title":"An anisotropic negative thermal expansion metamaterial with sign-toggling and sign-programmable Poisson’s ratio","authors":"T. Lim","doi":"10.1093/oxfmat/itac007","DOIUrl":"https://doi.org/10.1093/oxfmat/itac007","url":null,"abstract":"\u0000 \u0000 \u0000 A mechanical metamaterial is introduced herein by drawing inspiration from an Aztec geometric pattern. This metamaterial deformation mechanism for Poisson’s ratio and Young’s modulus is based on non-rotating rhombi with rotating triangles, and while the shear modulus analysis herein is based on rotating rhombi with non-rotating triangles, hence “partially rotating rigid units”.\u0000 \u0000 \u0000 \u0000 The coefficient of thermal expansion was obtained by equating the potential energy expressions from the simple harmonic motion and from the principle of energy equipartition, while the effective Young’s modulus was acquired by equating the strain energy from rotational stiffness with that from the strain energy of deformation from an assumed homogenised continuum. Due to the zero and extreme Poisson’s ratio based on infinitesimal deformation, the finite approach was employed.\u0000 \u0000 \u0000 \u0000 Results indicate that the proposed metamaterial exhibits anisotropic negative thermal expansion with sign-switching Poisson’s ratio when applied stress along one axis is reversed. The Poisson’s ratio for loading in another axis is undefined under tension but can be programmed to exhibit either sign when compressed. The Young’s modulus is directly governed by the rotational stiffness and strongly influenced by the extent of rotation, followed by the aspect ratio of the rotating units.\u0000 \u0000 \u0000 \u0000 Due to its uniqueness, the currently considered mechanical metamaterial can be used under specific requirements which are difficult to be attained by other materials with negative properties.\u0000","PeriodicalId":74385,"journal":{"name":"Oxford open materials science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41964714","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: 3

Materials, Electrodes, and Electrolytes Advances for Next Generation Lithium-based Anode-Free Batteries 下一代锂基无阳极电池的材料、电极和电解质进展

Oxford open materials science Pub Date : 2022-06-30 DOI: 10.1093/oxfmat/itac005

Shubhadeep Pal, Xiaozhe Zhang, B. Babu, Xiaodong Lin, Jiande Wang, A. Vlad

{"title":"Materials, Electrodes, and Electrolytes Advances for Next Generation Lithium-based Anode-Free Batteries","authors":"Shubhadeep Pal, Xiaozhe Zhang, B. Babu, Xiaodong Lin, Jiande Wang, A. Vlad","doi":"10.1093/oxfmat/itac005","DOIUrl":"https://doi.org/10.1093/oxfmat/itac005","url":null,"abstract":"\u0000 The high volumetric stack energy density (∼ 750Wh L−1) is a must for grasping the practical application of electric vehicles with more than 100 km per day driving range. Such achievement requires significant advances in state-of-the-art battery technologies. The anode-free, derived from the metal-battery concept, germinates as one of the future potential battery configurations due to the highest, nearly theoretical gravimetric and volumetric energy density. Thus, moving from the graphite-based anode, where lithium is stored as ions, to anode-free cells, wherein lithium is plated as metal, can change the scenario of the electrochemical energy storing devices both in terms of energy density and fundamental mechanism. Although an anode-free battery theoretically provides higher stack energy density than a Li-ion battery, current developments are still underoptimized as these can barely hold for several cycles at room temperature due to the absence of an active lithium reservoir and still severe losses at the anode side. Hence electrolyte engineering with suitable electrode material choice is highly desirable and extremely challenging in realizing next-generation anode-free batteries. Herein, we summarize the current developments and achievements in the direction of anode-free batteries. Central emphasis is set on electrolyte chemistries that should on one hand allow for high-efficiency initial nucleation, followed by subsequent electrodeposition and electrodissolution of lithium metal, while also forming stable anodic interphases with the high energy cathode materials currently in use. We also prospect for better batteries with higher energy density beyond the present status.","PeriodicalId":74385,"journal":{"name":"Oxford open materials science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49453474","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: 3

Understanding the Mechanics of complex topology of the 3D printed Anthill architecture 了解3D打印蚁丘结构的复杂拓扑结构

Oxford open materials science Pub Date : 2022-05-11 DOI: 10.1093/oxfmat/itac003

B. Kushwaha, Avinash Kumar, Rushikesh S. Ambekar, V. Arya, Solomon Demiss Negedu, Deep Bakshi, E. Olu, R. S. Ayyagari, Varinder Pal, K. K. Sadasivuni, N. Pugno, Chirodeep Bakli, C. Tiwary

{"title":"Understanding the Mechanics of complex topology of the 3D printed Anthill architecture","authors":"B. Kushwaha, Avinash Kumar, Rushikesh S. Ambekar, V. Arya, Solomon Demiss Negedu, Deep Bakshi, E. Olu, R. S. Ayyagari, Varinder Pal, K. K. Sadasivuni, N. Pugno, Chirodeep Bakli, C. Tiwary","doi":"10.1093/oxfmat/itac003","DOIUrl":"https://doi.org/10.1093/oxfmat/itac003","url":null,"abstract":"\u0000 \u0000 \u0000 The present work aimed to investigate the deformation behavior of complex ant mound architectures under compression.\u0000 \u0000 \u0000 \u0000 We have used the cement casting method to extract four different ant nest morphologies. These casted cement structures were digitalized using a 3D micro-computer tomography (CT) scan. The digitized structures were simulated under different loading conditions using Finite Element Methods (FEM). In order to supplement the numerical understanding, the digital architectures were 3D printed and experimentally tested under uniaxial loading conditions.\u0000 \u0000 \u0000 \u0000 Ants produce a variety of complex architectures for adapting to the surrounding environment and ants’ needs. Ant mound consists of at least one pillar with a broad base tapered towards its tip. Anthill architectures have unique topological features. Mechanical strength of ant mould can be 600 times enhanced by tuning topology. Thickness and angle of pillars have huge effect on load-bearing property\u0000 \u0000 \u0000 \u0000 The branched structures can endure larger stress and deform in the process under a volumetric pressure application, making them sacrificial units for extreme disasters like floods and earthquakes. The 3D printing experiments and Finite Element Methods simulations are needed to tackle the complex ant mound architectures and appear in good agreement, suggesting a robust design and thus the possibility of constructing anthill-inspired civil buildings with a tree-trunk-like geometry.\u0000","PeriodicalId":74385,"journal":{"name":"Oxford open materials science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45301615","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: 4

A Review of Ultrawide Bandgap Materials: Properties, Synthesis, and Devices 超宽带隙材料的性能、合成及器件研究进展

Oxford open materials science Pub Date : 2022-05-05 DOI: 10.1093/oxfmat/itac004

Mingfei Xu, Dawei Wang, K. Fu, D. Mudiyanselage, H. Fu, Yuji Zhao

引用次数: 8

Designing of small organic non-fullerene(NFAs) acceptor molecules with an A−D−A Framework for high performance organic solar cells: A DFT and TD-DFT method 高性能有机太阳能电池用A -D - A框架小有机非富勒烯受体分子的设计:DFT和TD-DFT方法

Oxford open materials science Pub Date : 2022-04-21 DOI: 10.1093/oxfmat/itac002

Surendra Babu Numbury

{"title":"Designing of small organic non-fullerene(NFAs) acceptor molecules with an A−D−A Framework for high performance organic solar cells: A DFT and TD-DFT method","authors":"Surendra Babu Numbury","doi":"10.1093/oxfmat/itac002","DOIUrl":"https://doi.org/10.1093/oxfmat/itac002","url":null,"abstract":"\u0000 The main objective of this research was to design non-fullerene acceptors A-D-A framework, using carbazole and benzothiazole derivatives. Density functional theory (DFT) was used to calculate the geometry optimized structures and electronic properties at B3LYP functional with a 6-311G basis set in the gas and solvent phase.The frontier molecular orbital’s (FMO), bandgap, Open-circuit voltage (VOC) and dipole moments of these developed acceptors have been calculated. The theoretical UV absorption spectrawere calculated from Time-Dependent Density Functional Theory (TD-DFT) with the same level of theory used DFT method.They show a suitable bandgap (2.24–2.93 eV) and dipole moment (1.8–10.8 Debye). The maximum wavelength (λmax) for all studied molecules in the range is 665.17–679.97 in both gas and solvent. A slight redshift was observed in all acceptors selected for chlorobenzene compared to gas phase absorption.The non-fullerene acceptor A11 has the lowest bandgap energy (2.24 eV), gas-phase excitation energy (1.86 eV), and chlorobenzene excitation energy (1.86 eV) (1.86 eV). As a result, A11 is predicted to be a good contender for organic non-fullerene acceptors in the future. The open-circuit voltage (Voc) values range from 1.53 to 2.56 eV. Consequently, the optoelectronic, molecular orbital distribution, and A11 and A12 molecules were suitable acceptors for non-fullerene acceptors.","PeriodicalId":74385,"journal":{"name":"Oxford open materials science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42614981","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: 1

In-plane and vertical heterostructures from 1T’/2H transition-metal dichalcogenides 1T’/2H过渡金属二硫族化合物的平面和垂直异质结构

Oxford open materials science Pub Date : 2022-01-03 DOI: 10.1093/oxfmat/itab016

Yang Ma, Shiyu Xu, Juntian Wei, Bin Zhou, Y. Gong

{"title":"In-plane and vertical heterostructures from 1T’/2H transition-metal dichalcogenides","authors":"Yang Ma, Shiyu Xu, Juntian Wei, Bin Zhou, Y. Gong","doi":"10.1093/oxfmat/itab016","DOIUrl":"https://doi.org/10.1093/oxfmat/itab016","url":null,"abstract":"\u0000 \u0000 \u0000 An avalanche of research has been carried out on two-dimensional (2D) transition metal dichalcogenides (TMDs) due to their potential applications in advanced electronics and flexible devices. To take full use of the emerging 2D TMDs materials, their in-plane/vertical heterostructures have been explored, enabling effective tuning of their physical and chemical properties. However, structural differences between the various phases impede the formation of functional heterostructures. Therefore, robust synthesis strategies for heterostructures with different phases have been explored in this study.\u0000 \u0000 \u0000 \u0000 A chemical vapor deposition process has been proposed in which the key parameters like reaction sources, deposition sites, etc. have been carefully adjusted, trying to achieve simultaneous synthesis of 1T’/2H in-plane and vertical heterostructures.\u0000 \u0000 \u0000 \u0000 Consequently, 2D in-plane RexMo1-xS2/MoS2 and vertical ReS2/MoS2 heterostructures have been produced in different regions at the same time. Atomic-resolution Z-contrast images reveal the detailed atomic structure of the 1T’/2H interfaces. The lateral interface is found to contain Mo atoms with only 5-fold coordination with S due to the phase mismatch.\u0000 \u0000 \u0000 \u0000 This work demonstrates a route to exploit heterostructures of different phases and opens the possibility to build more complicated 2D heterostructures using CVD.\u0000","PeriodicalId":74385,"journal":{"name":"Oxford open materials science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42140749","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

Generating 3D architectured nature-inspired materials and granular media using diffusion models based on language cues. 使用基于语言线索的扩散模型生成3D建筑自然灵感材料和颗粒介质。

Oxford open materials science Pub Date : 2022-01-01 DOI: 10.1093/oxfmat/itac010

Markus J Buehler

{"title":"Generating 3D architectured nature-inspired materials and granular media using diffusion models based on language cues.","authors":"Markus J Buehler","doi":"10.1093/oxfmat/itac010","DOIUrl":"https://doi.org/10.1093/oxfmat/itac010","url":null,"abstract":"<p><p>A variety of image generation methods have emerged in recent years, notably DALL-E 2, Imagen and Stable Diffusion. While they have been shown to be capable of producing photorealistic images from text prompts facilitated by generative diffusion models conditioned on language input, their capacity for materials design has not yet been explored. Here, we use a trained Stable Diffusion model and consider it as an experimental system, examining its capacity to generate novel material designs especially in the context of 3D material architectures. We demonstrate that this approach offers a paradigm to generate diverse material patterns and designs, using human-readable language as input, allowing us to explore a vast nature-inspired design portfolio for both novel architectured materials and granular media. We present a series of methods to translate 2D representations into 3D data, including movements through noise spaces via mixtures of text prompts, and image conditioning. We create physical samples using additive manufacturing and assess material properties of materials designed via a coarse-grained particle simulation approach. We present case studies using images as starting point for material generation; exemplified in two applications. First, a design for which we use Haeckel's classic lithographic print of a diatom, which we amalgamate with a spider web. Second, a design that is based on the image of a flame, amalgamating it with a hybrid of a spider web and wood structures. These design approaches result in complex materials forming solids or granular liquid-like media that can ultimately be tuned to meet target demands.</p>","PeriodicalId":74385,"journal":{"name":"Oxford open materials science","volume":"2 1","pages":"itac010"},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9767007/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10742575","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 4

Thin film growth of MAX phases as functional materials MAX相作为功能材料的薄膜生长

Oxford open materials science Pub Date : 2021-12-24 DOI: 10.1093/oxfmat/itab020

Abhijit Biswas, Varun Natu, Anand B. Puthirath

引用次数: 3

Ultrathin Metal-Organic Framework Nanosheets and Devices 超薄金属有机框架纳米片及器件

Oxford open materials science Pub Date : 2021-12-24 DOI: 10.1093/oxfmat/itab019

A. Meiyazhagan

引用次数: 0