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Heat Wave Driven by Nanoscale Mechanical Impact between C 60 and Graphene c60和石墨烯之间的纳米机械冲击驱动的热浪
Journal of nanomechanics & micromechanics Pub Date : 2012-01-12 DOI: 10.1061/(ASCE)NM.2153-5477.0000044
Xianqiao Wang, James D. Lee
{"title":"Heat Wave Driven by Nanoscale Mechanical Impact between C 60 and Graphene","authors":"Xianqiao Wang, James D. Lee","doi":"10.1061/(ASCE)NM.2153-5477.0000044","DOIUrl":"https://doi.org/10.1061/(ASCE)NM.2153-5477.0000044","url":null,"abstract":"This paper presents a novel physical phenomenon—heat wave propagation—at the atomic scale by investigating the collision of C60 molecules with a graphene sample through molecular dynamics (MD) simulation. A correlation between mechanical wave and temperature variation has been captured at the early stage of collision to demonstrate that temperature variations behave in a wave motion, which contradicts the concept in classical continuum mechanics, whereas later temperature variations exhibit the properties of a diffusion equation. This intriguing result, called wave-diffusion duality, offers an insight into the thermomechanical coupling phenomenon of nanodevices. DOI: 10.1061/(ASCE)NM.2153-5477.0000044. © 2012 American Society of Civil Engineers. CE Database subject headings: Nanotechnology; Wave propagation; Simulation; Diffusion; Temperature effects. Author keywords: Molecular dynamics; Graphene; Buckyball; Collision; Heat wave; Wave-diffusion duality.","PeriodicalId":90606,"journal":{"name":"Journal of nanomechanics & micromechanics","volume":"2 1","pages":"23-27"},"PeriodicalIF":0.0,"publicationDate":"2012-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1061/(ASCE)NM.2153-5477.0000044","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58475458","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: 7
Mechanics of Nano-Honeycomb Silica Structures: Size-Dependent Brittle-to-Ductile Transition 纳米蜂窝状二氧化硅结构的力学:尺寸相关的脆性到延性转变
Journal of nanomechanics & micromechanics Pub Date : 2011-12-01 DOI: 10.1061/(ASCE)NM.2153-5477.0000037
Dipanjan Sen, Andre P. Garcia, M. Buehler
{"title":"Mechanics of Nano-Honeycomb Silica Structures: Size-Dependent Brittle-to-Ductile Transition","authors":"Dipanjan Sen, Andre P. Garcia, M. Buehler","doi":"10.1061/(ASCE)NM.2153-5477.0000037","DOIUrl":"https://doi.org/10.1061/(ASCE)NM.2153-5477.0000037","url":null,"abstract":"Porous silica structures with intricate design patterns form the exoskeleton of diatoms, a large class of microscopic mineralized algae, whose structural features have been observed to exist down to nanoscale dimensions. Nanoscale patterned porous silica structures have also been manufactured for the use in optical systems, catalysts, and semiconductor nanolithography. The mechanical properties of these porous structures at the nanoscale are a subject of great interest for potential technological and biomimetic applications in the context of new classes of multifunctional materials. Previous studies have established the emergence of enhanced toughness and ductility in nanoporous crystalline silica structures over bulk silica. The authors undertake molecular dynamics simulations and theoretical size-scaling studies of elasticity and strength of a simple model of generic nanoporous silica structures, used to establish a theoretical model for the detailed mechanisms behind their improved properties, and show...","PeriodicalId":90606,"journal":{"name":"Journal of nanomechanics & micromechanics","volume":"1 1","pages":"112-118"},"PeriodicalIF":0.0,"publicationDate":"2011-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1061/(ASCE)NM.2153-5477.0000037","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58473966","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: 23
Nanometer to Micron Scale Atomistic Mechanics of Silicon Using Atomistic Simulations at Accelerated Time Steps 用加速时间步长的原子模拟研究纳米到微米尺度硅的原子力学
Journal of nanomechanics & micromechanics Pub Date : 2011-11-15 DOI: 10.1061/(ASCE)NM.2153-5477.0000038
Hansung Kim, V. Tomar
{"title":"Nanometer to Micron Scale Atomistic Mechanics of Silicon Using Atomistic Simulations at Accelerated Time Steps","authors":"Hansung Kim, V. Tomar","doi":"10.1061/(ASCE)NM.2153-5477.0000038","DOIUrl":"https://doi.org/10.1061/(ASCE)NM.2153-5477.0000038","url":null,"abstract":"Atomistic simulations have a unique capability to reveal the material deformation mechanisms and the corresponding deformation-based constitutive behavior. However, atomistic simulations are limited by the accessible length and time scales. In the present work, an equivalent crystal lattice method is used to analyze atomistic mechanical deformation of nanometer- to micrometer-sized polycrystalline silicon (Si) samples at accelerated time steps. The equivalent crystal lattice method’s validity is verified by the results of classical molecular dynamics (MD) simulations at MD strain rates. The method is then used to predict material behavior at subcontinuum length scales. An extrapolation of the thin film polycrystalline silicon stress-strain relationships to lower strain-rate values indicates that the thin film peak stress values at the experimental strain rates are in agreement with experimental values. Analyses reveal that the peak stress values in the case of polycrystalline Si follow inverse Hall-Petch ...","PeriodicalId":90606,"journal":{"name":"Journal of nanomechanics & micromechanics","volume":"1 1","pages":"134-141"},"PeriodicalIF":0.0,"publicationDate":"2011-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1061/(ASCE)NM.2153-5477.0000038","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58474328","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: 2
Hybrid Lattice Particle Modeling of Retrofitting Infrastructure Design under a Blasting Load 爆破荷载下改造基础设施设计的混合点阵粒子模型
Journal of nanomechanics & micromechanics Pub Date : 2011-06-10 DOI: 10.1061/(ASCE)NM.2153-5477.0000036
G. Wang, A. Al-ostaz, A. Cheng
{"title":"Hybrid Lattice Particle Modeling of Retrofitting Infrastructure Design under a Blasting Load","authors":"G. Wang, A. Al-ostaz, A. Cheng","doi":"10.1061/(ASCE)NM.2153-5477.0000036","DOIUrl":"https://doi.org/10.1061/(ASCE)NM.2153-5477.0000036","url":null,"abstract":"This paper presents a numerical method, known as hybrid lattice particle modeling (HLPM), for the study of the reinforcement potential for coating of three-layer functionally designed nonlinear response retrofitting structure on a linear response infrastructure. The three nonlinear materials behave with different strengths as members of the three-layer retrofitting structure. Different arrangements of these three materials are attempted to obtain a good understanding of the intrinsic mechanism to reach an optimal reinforcement performance to the infrastructure. The ultimate application is aimed at the retrofitting of failing infrastructure.","PeriodicalId":90606,"journal":{"name":"Journal of nanomechanics & micromechanics","volume":"1 1","pages":"119-133"},"PeriodicalIF":0.0,"publicationDate":"2011-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1061/(ASCE)NM.2153-5477.0000036","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58473849","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
Higher-Order Continuum Theory Applied to Fracture Simulation of Nanoscale Intergranular Glassy Film 高阶连续统理论在纳米晶间玻璃膜断裂模拟中的应用
Journal of nanomechanics & micromechanics Pub Date : 2011-06-01 DOI: 10.1061/(ASCE)NM.2153-5477.0000030
Yang Yang, W. Ching, A. Misra
{"title":"Higher-Order Continuum Theory Applied to Fracture Simulation of Nanoscale Intergranular Glassy Film","authors":"Yang Yang, W. Ching, A. Misra","doi":"10.1061/(ASCE)NM.2153-5477.0000030","DOIUrl":"https://doi.org/10.1061/(ASCE)NM.2153-5477.0000030","url":null,"abstract":"Complex grain-boundary structures such as the 1–2 nm thick intergranular glassy films (IGF) play a prominent role in the failure behavior of nanophased ceramics. The IGF plays the role of an imperfection and serves as the location of strain localization and failure. This paper describes recently performed theoretical mechanical loading experiments on very large atomic models of IGF in silicon nitride using ab initio simulation to obtain their failure behavior. The ab initio simulations yield characteristic postpeak softening accompanied by strain localization zone. This paper applies microstructural granular mechanics-based higher-order continuum theory to model the failure behavior of these types of material systems. The results obtained from the ab initio simulations are compared with those predicted by the higher-order continuum theory.","PeriodicalId":90606,"journal":{"name":"Journal of nanomechanics & micromechanics","volume":"1 1","pages":"60-71"},"PeriodicalIF":0.0,"publicationDate":"2011-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1061/(ASCE)NM.2153-5477.0000030","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58473859","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: 113
Computation of Elastic Properties of Portland Cement Using Molecular Dynamics 硅酸盐水泥弹性性能的分子动力学计算
Journal of nanomechanics & micromechanics Pub Date : 2011-05-16 DOI: 10.1061/(ASCE)NM.2153-5477.0000026
Weidong Wu, A. Al-ostaz, A. Cheng, C. Song
{"title":"Computation of Elastic Properties of Portland Cement Using Molecular Dynamics","authors":"Weidong Wu, A. Al-ostaz, A. Cheng, C. Song","doi":"10.1061/(ASCE)NM.2153-5477.0000026","DOIUrl":"https://doi.org/10.1061/(ASCE)NM.2153-5477.0000026","url":null,"abstract":"There is a growing interest in relating nanostructures to the macro properties of engineering materials such as composites and cement materials. Better understanding of structure and elastic properties of nanoparticles in concrete by modeling and experiment could lead to nanoengineered concrete with much better performance and energy efficiency. In this study, the molecular dynamics (MD) atomistic simulation technique was applied to study the elastic properties of major portland cement compounds (i.e., alite, belite, and aluminate). Applicability of three commonly used force fields: COMPASS, Universal force field (UFF), and Dreiding were evaluated in the MD simulation. The combination of different simulation cell sizes and force fields was investigated. MD simulation results of cement were comparable to the experimental data. The results could be used as nanoparticle properties for multiscale modeling of concrete, cementitious composites, and aggregate.","PeriodicalId":90606,"journal":{"name":"Journal of nanomechanics & micromechanics","volume":"1 1","pages":"84-90"},"PeriodicalIF":0.0,"publicationDate":"2011-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1061/(ASCE)NM.2153-5477.0000026","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58473219","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: 56
Effect of Imperfections on Elastic Stiffness of Polymers Reinforced with Long Aligned Single-Walled Carbon Nanotubes 缺陷对长排列单壁碳纳米管增强聚合物弹性刚度的影响
Journal of nanomechanics & micromechanics Pub Date : 2011-05-16 DOI: 10.1061/(ASCE)NM.2153-5477.0000029
I. Valero, F. Caner, Z. Guo
{"title":"Effect of Imperfections on Elastic Stiffness of Polymers Reinforced with Long Aligned Single-Walled Carbon Nanotubes","authors":"I. Valero, F. Caner, Z. Guo","doi":"10.1061/(ASCE)NM.2153-5477.0000029","DOIUrl":"https://doi.org/10.1061/(ASCE)NM.2153-5477.0000029","url":null,"abstract":"Theoretically, the polymers reinforced with long aligned single-walled carbon nanotubes (LASWCNTs) must have one order of magnitude larger stiffness and strength than the classical carbon fiber reinforced polymers. However, imperfections such as vacancy defects in the single-walled carbon nanotubes (SWCNTs), undulation, and clustering of SWCNTs in the polymer matrix are known to adversely affect the otherwise superior properties of LASWCNT-reinforced polymer composites. The determination of unbiased relative importance of various forms of imperfections is important to determine the most efficient strategies to produce polymers reinforced with LASWCNTs. An investigation of stochastic effects of imperfections in the form of vacancy defects in the nanotubes, undulation of nanotubes, and clustering of nanotubes on the initial elastic stiffness of LASWCNT-reinforced polymer composites is presented. To this end, first the effect of vacancy defects on axial elastic stiffness of imperfect LASWCNTS is determined b...","PeriodicalId":90606,"journal":{"name":"Journal of nanomechanics & micromechanics","volume":"1 1","pages":"51-59"},"PeriodicalIF":0.0,"publicationDate":"2011-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1061/(ASCE)NM.2153-5477.0000029","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58473774","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
Steered Molecular Dynamics Study of Mechanical Response of Full Length and Short Collagen Molecules 全长和短胶原蛋白分子力学响应的分子动力学研究
Journal of nanomechanics & micromechanics Pub Date : 2011-04-15 DOI: 10.1061/(ASCE)NM.2153-5477.0000035
S. Pradhan, D. Katti, K. Katti
{"title":"Steered Molecular Dynamics Study of Mechanical Response of Full Length and Short Collagen Molecules","authors":"S. Pradhan, D. Katti, K. Katti","doi":"10.1061/(ASCE)NM.2153-5477.0000035","DOIUrl":"https://doi.org/10.1061/(ASCE)NM.2153-5477.0000035","url":null,"abstract":"Collagen is a fibrous protein that is responsible for structural integrity of various connective tissues such as bone, tendon, and skin. The mechanical properties of these hierarchical tissue structures are greatly influenced by presence of long and slender (~300 long and ~1.5 nm in diameter) collagen molecules that impart strength and elasticity. The current molecular dynamics studies of collagen are limited to the use of short collagen molecules that are approximately 8.5 nm in length. This study investigates the mechanical behavior of the full-length collagen molecule and the short collagen by using steered molecular dynamics. The simulations were carried out at various loading conditions corresponding to different rates of pulling and springs of different stiffness were used to pull collagen molecules. The underlying mechanisms with respect to unfolding of collagen molecules differ significantly between short and full-length molecules when stretched in molecular dynamics simulations. These differences...","PeriodicalId":90606,"journal":{"name":"Journal of nanomechanics & micromechanics","volume":"1 1","pages":"104-110"},"PeriodicalIF":0.0,"publicationDate":"2011-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1061/(ASCE)NM.2153-5477.0000035","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58473763","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: 37
Analytical and Experimental Determination of Rate- and Temperature-Dependent Length Scales Using Nanoindentation Experiments 利用纳米压痕实验分析和实验确定速率和温度依赖的长度尺度
Journal of nanomechanics & micromechanics Pub Date : 2011-03-01 DOI: 10.1061/(ASCE)NM.2153-5477.0000027
G. Voyiadjis, D. Faghihi, Chengze Zhang
{"title":"Analytical and Experimental Determination of Rate- and Temperature-Dependent Length Scales Using Nanoindentation Experiments","authors":"G. Voyiadjis, D. Faghihi, Chengze Zhang","doi":"10.1061/(ASCE)NM.2153-5477.0000027","DOIUrl":"https://doi.org/10.1061/(ASCE)NM.2153-5477.0000027","url":null,"abstract":"This work addresses the temperature and rate indentation size effects (TRISE) encountered in nanoindentation experiments and the corresponding material intrinsic length scales at different strain rates. The same value for the material length scale cannot be used for different rate, temperature, and accumulated plastic-strain conditions. A variable length scale is introduced in this work and used on two different face-centered cubic (FCC) metals. Indentation experiments are performed on copper and aluminum polycrystalline samples for different strain rates. To check the validity of the assumed concept for local hardening in nanoindentation, additional experiments are conducted on single-crystal materials. The existing theories describing the indentation size effects and length scales are reviewed, and a physically based model that depends on strain rate, accumulated plastic strain, and temperature that were scaled with hardness experiments results is proposed for length scales. Furthermore, numerical simul...","PeriodicalId":90606,"journal":{"name":"Journal of nanomechanics & micromechanics","volume":"1 1","pages":"24-40"},"PeriodicalIF":0.0,"publicationDate":"2011-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1061/(ASCE)NM.2153-5477.0000027","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58473166","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: 36
Microfluidic Channels Formed by Collapse of Soft Stamp 软冲压件坍塌形成的微流控通道
Journal of nanomechanics & micromechanics Pub Date : 2011-03-01 DOI: 10.1061/(ASCE)NM.2153-5477.0000024
B. Xu, Xi Chen
{"title":"Microfluidic Channels Formed by Collapse of Soft Stamp","authors":"B. Xu, Xi Chen","doi":"10.1061/(ASCE)NM.2153-5477.0000024","DOIUrl":"https://doi.org/10.1061/(ASCE)NM.2153-5477.0000024","url":null,"abstract":"Fabricating straight and robust micro- or nanofluidic channels with an adjustable cross-section area represents a challenge for conventional fabrication techniques. Recently, it was discovered that when a soft elastomeric stamp comes in contact with a stiff substrate under pressure, the extensive deformation may lead to various geometries of internal channels (pores) that are bounded by the stamp material. However, the mechanical principles behind this new technique are still fuzzy. We use finite-element simulations to study the detailed char- acteristics of channels that are self-assembled by the collapse of a compliant stamp. Side collapse and slide-buckling mechanisms are analyzed. The key parameters controlling the channel formation and those governing the pore geometrical shapes and dimensions are iden- tified and correlated. Simplified theoretical models are established to predict the critical collapse stress, and these models show a good consistency with empirical results. We further propose a new technique for fabricating microfluidic channels with nearly circular profiles. DOI: 10.1061/(ASCE)NM.2153-5477.0000024. © 2011 American Society of Civil Engineers.","PeriodicalId":90606,"journal":{"name":"Journal of nanomechanics & micromechanics","volume":"1 1","pages":"3-10"},"PeriodicalIF":0.0,"publicationDate":"2011-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1061/(ASCE)NM.2153-5477.0000024","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58472674","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
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