Extreme Mechanics Letters最新文献_第8页

Recent advances in the integration of protein mechanics and machine learning 蛋白质力学与机器学习相结合的最新进展

IF 4.3 3区工程技术

Extreme Mechanics Letters Pub Date : 2024-09-20 DOI: 10.1016/j.eml.2024.102236

Yen-Lin Chen , Shu-Wei Chang

{"title":"Recent advances in the integration of protein mechanics and machine learning","authors":"Yen-Lin Chen , Shu-Wei Chang","doi":"10.1016/j.eml.2024.102236","DOIUrl":"10.1016/j.eml.2024.102236","url":null,"abstract":"<div><div>Mechanics underlies protein properties and behavior. From a theoretical standpoint, it is possible to derive these based on physical rules. This is appealing because they provide insights into physiology and disease, as well as aid in protein engineering; however, the convoluted nature of the biological system and current computational speeds limit its feasibility. Machine learning (ML) architectures are known for their ability to make inferences on complex data, such as the relationship between protein mechanics, properties, and behavior. Substantial efforts have been made to learn such correlations in tasks such as the prediction of structure, stability, natural frequency, mechanical strength, folding rate, solubility, and function. Each of these properties is interconnected through protein mechanics, and it is not surprising that the methods used in these tasks overlap highly in model input and architecture. In this review, we evaluate ML methods for the seven aforementioned prediction tasks to identify current trends in ML research in the field of protein sciences, focusing on the input and model architecture of each method. A short overview of <em>de novo</em> protein design is also provided. Finally, we highlight trends in the application of ML methods in the field of protein science, as well as directions for future improvements.</div></div>","PeriodicalId":56247,"journal":{"name":"Extreme Mechanics Letters","volume":"72 ","pages":"Article 102236"},"PeriodicalIF":4.3,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142323376","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Problem-independent machine learning-enhanced structural topology optimization of complex design domains based on isoparametric elements 基于等参数元素的复杂设计域结构拓扑优化--与问题无关的机器学习增强型结构拓扑优化

IF 4.3 3区工程技术

Extreme Mechanics Letters Pub Date : 2024-09-20 DOI: 10.1016/j.eml.2024.102237

Linfeng Zhang, Mengcheng Huang, Chang Liu, Zongliang Du, Tianchen Cui, Xu Guo

{"title":"Problem-independent machine learning-enhanced structural topology optimization of complex design domains based on isoparametric elements","authors":"Linfeng Zhang, Mengcheng Huang, Chang Liu, Zongliang Du, Tianchen Cui, Xu Guo","doi":"10.1016/j.eml.2024.102237","DOIUrl":"10.1016/j.eml.2024.102237","url":null,"abstract":"<div><div>Topology optimization requires dozens or even hundreds of iterations, each requiring a complete finite element analysis (FEA). Significant computation cost limits the application of topology optimization in engineering, especially for high-resolution problems containing complex design domains. To address the issue, a Problem-Independent Machine Learning (PIML) model based on isoparametric elements is proposed. Effectively reducing the computational time of FEA, the proposed model enables efficient topology optimization and extends the solvable problem range to complex design domains. The essential idea is leveraging the substructure method and establishing a mapping from element shapes and material distribution within the substructure to its numerical shape functions through machine learning models. Both sample generation and model training are conducted offline, allowing the trained machine learning model to be directly employed during the topology optimization process. Since the shape function of the substructure is problem-independent, it requires no sample regeneration or modification of the proposed machine learning model when changing the geometry or boundary conditions of the optimization problem. Numerical examples demonstrate that the proposed machine learning model boosts the efficiency of topology optimization by one order of magnitude without parallel techniques.</div></div>","PeriodicalId":56247,"journal":{"name":"Extreme Mechanics Letters","volume":"72 ","pages":"Article 102237"},"PeriodicalIF":4.3,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142323377","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A hyperelastic beam model for the photo-induced response of nematic liquid crystal elastomers 向列液晶弹性体光诱导响应的超弹性梁模型

IF 4.3 3区工程技术

Extreme Mechanics Letters Pub Date : 2024-09-19 DOI: 10.1016/j.eml.2024.102233

Farzam Dadgar-Rad , Mohammad Mehdi Mahjoub , Mokarram Hossain

引用次数: 0

Inverse design of phononic topological pumping in continuous solids 连续固体中声波拓扑泵的逆设计

IF 4.3 3区工程技术

Extreme Mechanics Letters Pub Date : 2024-09-13 DOI: 10.1016/j.eml.2024.102231

Jiachen Luo, Harold S. Park

{"title":"Inverse design of phononic topological pumping in continuous solids","authors":"Jiachen Luo, Harold S. Park","doi":"10.1016/j.eml.2024.102231","DOIUrl":"10.1016/j.eml.2024.102231","url":null,"abstract":"<div><div>Topological insulators have been widely studied for their unique properties, particularly their ability to propagate energy with minimal losses in a manner that is robust to structural defects. More recently, topological pumping, which provides a mechanism to transport energy from one location to another in a structure without the need for direct coupling between the locations, has emerged as a phenomena of interest. However, previous studies on topological pumping of phonons have been performed without developing an understanding of how the efficiency of the pumping, as well as control over the pumping pathway in continuous solids, can be systematically controlled. Therefore, in this work we introduce a novel framework for the inverse design of continuous structures that can exhibit topological pumping of phonons, that is based on two key steps: (I) shape design of unit cells that not only exhibit topologically non-trivial edge states, but whose edge states span a wide range of phase values and wavenumbers at the excitation frequency to achieve a robust pumping effect; (II) optimizing the functional form to enable nonlinear modulation of the phase, which enables control both over the pumping path, and also the efficiency of the energy transport along the desired pumping pathway. Using this approach, we are able to establish connections between the dynamical properties of the unit cell, and various properties that impact the pumping efficiency, including the bandgap width, wavevector range, unit cell truncation, and the path of the phase modulation. We further demonstrate the ability to perform pumping for both out-of-plane and in-plane elastic waves, as well as for quantum valley Hall-based topological insulators.</div></div>","PeriodicalId":56247,"journal":{"name":"Extreme Mechanics Letters","volume":"72 ","pages":"Article 102231"},"PeriodicalIF":4.3,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142310975","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Adaptive bioinspired morphing surface using temperature-responsive elastomer-SMA composites 使用温度响应弹性体-SMA 复合材料的自适应生物启发变形表面

IF 4.3 3区工程技术

Extreme Mechanics Letters Pub Date : 2024-09-13 DOI: 10.1016/j.eml.2024.102235

Manuel J. Carvajal Loaiza , Oscar I. Ojeda , Vanessa Restrepo

{"title":"Adaptive bioinspired morphing surface using temperature-responsive elastomer-SMA composites","authors":"Manuel J. Carvajal Loaiza , Oscar I. Ojeda , Vanessa Restrepo","doi":"10.1016/j.eml.2024.102235","DOIUrl":"10.1016/j.eml.2024.102235","url":null,"abstract":"<div><p>The pursuit of \"smart\" materials, drawing inspiration from biological organisms, has been a significant focal point in the realm of material science and engineering. Shape memory materials, notably Shape Memory Alloys (SMAs), have emerged as promising platforms for the development of adaptive and responsive materials that undergo transformations in response to environmental stimuli. This article explores the creation of a bioinspired morphing surface that capitalizes on the innovative amalgamation of Ecoflex and Nitinol (NiTi) wires. Inspired by biological mechanisms, this morphing surface exemplifies remarkable adaptability, seamlessly transitioning from 2D to 3D shapes with precision. A detailed mechanical characterization underscores pivotal changes in material properties, showcasing a significant reaction force increase from 0.4 N to 1 N in NiTi wires at 20 °C and 50 °C. Concurrently, the embedded NiTi wire within the Ecoflex matrix exhibits a similar force increment from 0.6 N to 1.2 N, reflecting the microstructural alterations dependent on temperature. The study also elucidates the versatility and scalability of this technology, highlighting its potential for diverse applications in aerospace, robotics, medical devices, and adaptive materials. This bioinspired morphing surface offers a versatile foundation for customizable shapes and programmable transformations, paving the way for impactful advancements in a multitude of fields.</p></div>","PeriodicalId":56247,"journal":{"name":"Extreme Mechanics Letters","volume":"72 ","pages":"Article 102235"},"PeriodicalIF":4.3,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142238837","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Mechanics guided design of programmable bilayer for aortic valve stent 主动脉瓣支架可编程双层膜的力学指导设计

IF 4.3 3区工程技术

Extreme Mechanics Letters Pub Date : 2024-09-12 DOI: 10.1016/j.eml.2024.102229

Meng Yang, Chao Yuan, Haoyu Guo, Xiaochun Jiang, Tiejun Wang

{"title":"Mechanics guided design of programmable bilayer for aortic valve stent","authors":"Meng Yang, Chao Yuan, Haoyu Guo, Xiaochun Jiang, Tiejun Wang","doi":"10.1016/j.eml.2024.102229","DOIUrl":"10.1016/j.eml.2024.102229","url":null,"abstract":"<div><p>Transcatheter aortic valve replacement (TAVR) has emerged as a promising treatment option for aortic stenosis. However, the prevalent stent used for valve placement restricts the post-release adjustment or movement of the artificial valve, increasing the potential risk to patients once accidental mispositioning occurs. Herein, we propose a 4D printing strategy to realize a proof-of-concept thermal-activated transcatheter aortic valve (TAV) stent that allows for programmable manipulation. Polylactic acid/polyurethane composites are directly printed to perform as the active units that tailor the configuration of the programmable TAV stent, accommodating to different tasks such as blood vessel navigation and topological fixation with cardiac cavity. A theoretical model is developed to explore the curvature evolutions of the active composite, realizing good agreement with experimental observations. Guided by the model, we seek out the optimized programming and activation conditions that allow for desired transformations to realize permanent fixation under intra-annular release and thermal-activated retraction under infra-annular release, inspiring the future development of TAV stents with shape memory principle.</p></div>","PeriodicalId":56247,"journal":{"name":"Extreme Mechanics Letters","volume":"72 ","pages":"Article 102229"},"PeriodicalIF":4.3,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142228556","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

An integrated push-to-pull micromechanical device: Design, fabrication, and in-situ experiment 一体化推拉微机械装置：设计、制造和现场实验

IF 4.3 3区工程技术

Extreme Mechanics Letters Pub Date : 2024-09-11 DOI: 10.1016/j.eml.2024.102228

Jie Wang , Dihan Yao , Rong Wang , Zhiqiang Gao , Mengxiong Liu , Xuan Ye , Xide Li

{"title":"An integrated push-to-pull micromechanical device: Design, fabrication, and in-situ experiment","authors":"Jie Wang , Dihan Yao , Rong Wang , Zhiqiang Gao , Mengxiong Liu , Xuan Ye , Xide Li","doi":"10.1016/j.eml.2024.102228","DOIUrl":"10.1016/j.eml.2024.102228","url":null,"abstract":"<div><p>The rapid advancement of micro-nano machining technology has led to a decrease in the dimensions of microdevices and microchips, following the principles of Moore’s law. In addition to conventional semiconductor materials like silicon, emerging nanoscale materials such as nanowires, nanotubes, and two-dimensional materials are being considered as promising alternative constituent materials. The mechanical properties of these materials have a significant impact on the performance and service life of these microdevices and microchips. However, conventional mechanical testing methods have difficulty in accurately measuring the properties of these materials at the nanoscale due to limitations in displacement control and microforce sensing. Consequently, there is an urgent need to develop a micromechanical device capable of testing nanoscale solid materials. In this study, we propose a concept based on high-resolution image sequences for the design of an integrated micromechanical device capable of synchronously measuring the force and deformation of tested specimens. The device has been fabricated using ultrafast femtosecond laser etching technology, which offers an efficient and cost-effective approach for manufacturing microstructures and is suitable for processing various materials such as metals and nonmetals. The stiffness of the device plays a crucial role in the design of the micromechanical device, and a stiffness-matching criterion is introduced to ensure appropriate design parameters. The fabricated device is employed to conduct in-situ tension experiments on SiC nanowires and multilayer molybdenum disulfide nanosheet within a scanning electronic microscope, enabling accurate measurement of their strength, modulus, and fracture strain.</p></div>","PeriodicalId":56247,"journal":{"name":"Extreme Mechanics Letters","volume":"72 ","pages":"Article 102228"},"PeriodicalIF":4.3,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142167941","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Stick-to-slip transition characterized by nucleation and emission of dislocations and the implications in earthquake nucleation 以位错的成核和发射为特征的粘滑转换及其对地震成核的影响

IF 4.3 3区工程技术

Extreme Mechanics Letters Pub Date : 2024-09-10 DOI: 10.1016/j.eml.2024.102234

Yiran Li, Tingting Wang, Ganyun Huang, Liaoliang Ke, Yanfeng Wang, Yize Wang, Yuesheng Wang

引用次数: 0

Generative AI model trained by molecular dynamics for rapid mechanical design of architected graphene 通过分子动力学训练的人工智能生成模型，用于快速机械设计结构化石墨烯

IF 4.3 3区工程技术

Extreme Mechanics Letters Pub Date : 2024-09-10 DOI: 10.1016/j.eml.2024.102230

Milad Masrouri , Kamalendu Paul , Zhao Qin

{"title":"Generative AI model trained by molecular dynamics for rapid mechanical design of architected graphene","authors":"Milad Masrouri , Kamalendu Paul , Zhao Qin","doi":"10.1016/j.eml.2024.102230","DOIUrl":"10.1016/j.eml.2024.102230","url":null,"abstract":"<div><p>Generative artificial intelligence (AI) is shown to be a useful tool to automatically learn from existing information and generate new information based on their connections, but its usage for quantitative mechanical research is less understood. Here, we focus on the structure-mechanics relationship of architected graphene as graphene with void defects of specific patterns. We use Molecular Dynamics (MD) to simulate uniaxial tension on architected graphene, extract the von Mises stress field in mechanical loading, and use the results to train a fine-tuned generative AI model through a Low-Rank Adaptation method. This model enables the freely designed architected graphene structures and predicts its associated stress field in uniaxial tension loading through simple descriptive language. We demonstrate that the fine-tuned model can be established with a few training images and can quantitatively predict the stress field for graphene with various defect geometries and distributions not included in the training set. We validate the accuracy of the stress field with MD simulations. Moreover, we illustrate that our generative AI model can predict the stress field from a schematic drawing of the architected graphene through image-to-image generation. These features underscore the promising future for employing advanced generative AI models in end-to-end advanced nanomaterial design and characterization, enabling the creation of functional, structural materials without using complex numerical modeling and data processing.</p></div>","PeriodicalId":56247,"journal":{"name":"Extreme Mechanics Letters","volume":"72 ","pages":"Article 102230"},"PeriodicalIF":4.3,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142164723","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A phenomenological theory for hydration-induced supercontraction and twist of spider dragline silk 水合诱导蜘蛛拖丝超收缩和扭曲的现象学理论

IF 4.3 3区工程技术

Extreme Mechanics Letters Pub Date : 2024-09-10 DOI: 10.1016/j.eml.2024.102232

Lei Liu , Yaping Chen , Jian Lei , Dabiao Liu

引用次数: 0