Vibration mode localization in single- and multi-layered graphene nanoribbons (English)
- New search for: Verma, Deepti
- New search for: Gupta, S.S.
- New search for: Batra, R.C.
- New search for: Verma, Deepti
- New search for: Gupta, S.S.
- New search for: Batra, R.C.
In:
Computational Materials Science
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95
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41-52
;
2014
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Vibration mode localization in single- and multi-layered graphene nanoribbons
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Contributors:
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Published in:Computational Materials Science ; 95 ; 41-52
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Publisher:
- New search for: Elsevier B.V.
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Publication date:2014-07-02
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Size:12 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 95
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
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Failure and toughness of bio-inspired composites: Insights from phase field modellingKhaderi, S.N. / Murali, P. / Ahluwalia, R. et al. | 2014
- 8
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The γ-Fe[N] and γ′-Fe4N1− x phase boundaries in high-nitrogen steels: The cube cluster approximation and the effect of vibrational energy contributionsBöttger, A.J. / Nanu, D.E. / Marashdeh, A. et al. | 2014
- 13
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Dimension reduction of defect properties for application in 2D dislocation dynamicsTopuz, Ahmet Ilker et al. | 2014
- 21
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Effect of CNT waviness on the effective mechanical properties of long and short CNT reinforced compositesPaunikar, Shweta / Kumar, Surendra et al. | 2014
- 29
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Multi-physics simulation of oxygen diffusion in PSZ–Ti composites during spark plasma sintering processFukui, Yamato / Fujii, Tomoyuki / Tohgo, Keiichiro / Shimamura, Yoshinobu et al. | 2014
- 35
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Modeling ablative behavior and thermal response of carbon/carbon compositesYin, Tiantian / Zhang, Zhongwei / Li, Xiaofeng / Feng, Xiang / Feng, Zhihai / Wang, Yu / He, Linghui / Gong, Xinglong et al. | 2014
- 41
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Vibration mode localization in single- and multi-layered graphene nanoribbonsVerma, Deepti / Gupta, S.S. / Batra, R.C. et al. | 2014
- 53
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Microstructure- and surface orientation-dependent mechanical behaviors of Ag nanowires under bendingZhang, S.B. et al. | 2014
- 63
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Material-based design of the extrusion of bimetallic tubesKnezevic, Marko / Jahedi, Mohammad / Korkolis, Yannis P. / Beyerlein, Irene J. et al. | 2014
- 74
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Structural evolution of nanoparticles under picosecond stress wave consolidationLi, Chong / Burney, Kelsey / Bergler, Kevin / Wang, Xinwei et al. | 2014
- 84
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Electronic transport properties of graphene nanoribbon heterojunctions with 5–7–5 ring defectWu, Guo-xun / Li, Chenliang / Jing, Yu-hang / Wang, Chao-ying / Yang, Yong / Wang, Zhen-qing et al. | 2014
- 89
-
Molecular dynamics study of the micro-spallation of single crystal tinLiao, Yi / Xiang, Meizhen / Zeng, Xiangguo / Chen, Jun et al. | 2014
- 99
-
First-principles study of structural stability, elastic and dynamical properties of MnSKavcı, Onur / Cabuk, Suleyman et al. | 2014
- 106
-
Effects of hollow particle shape and distribution on the elastic properties of syntactic foams: 3D computational modelingNian, Guodong / Shan, Yejie / Xu, Qiang / Qu, Shaoxing et al. | 2014
- 113
-
Theoretical insights into the adsorption of monatomic Ag on the (2×2) BiOCl (001) surfacesZhang, Xiaochao / Li, Guoqi / Fan, Caimei / Ding, Guangyue / Wang, Yawen / Han, Peide et al. | 2014
- 121
-
Molecular dynamics simulation of wetting and interfacial behaviors of argon fluid confined in smooth and groove-patterned rough nano-channelsLi, Qun / Wang, Baohe / Zhao, Zongchang et al. | 2014
- 129
-
Theoretical studies on the plasticizing effect of DIANP on NC with various esterification degreesYang, Junqing / Gong, Xuedong / Wang, Guixiang et al. | 2014
- 136
-
Dendritic growth of high carbon iron-based alloy under constrained melt flowWang, Weiling / Luo, Sen / Zhu, Miaoyong et al. | 2014
- 149
-
Numerical simulations and modeling of the stability of noble gas atoms in interaction with vacancies in siliconPizzagalli, L. / Charaf-Eddin, A. / Brochard, S. et al. | 2014
- 159
-
An effective inverse procedure for identifying viscoplastic material properties of polymer NafionZhang, Wei / Cho, Chongdu / Xiao, Yang et al. | 2014
- 166
-
Effect of electric field and Sn grain orientation on Cu consumption in Sn/Cu solder jointChen, Jie-Shi / Xu, Meng-Jia / Jin, Yu-Jing / Wang, Kai-Yun / Chun, Yu / Lu, Hao et al. | 2014
- 172
-
Identification of the mechanical properties of the carbon fiber and the interphase region based on computational micromechanics and Kriging metamodelLu, Jiahai / Zhu, Ping / Ji, Qinghui / Feng, Qi / He, Jian et al. | 2014
- 181
-
A density functional theory (DFT) study of CO2 adsorption on Mg-rich minerals by enhanced charge distributionKwon, Soonchul / Choi, Ji Il / Lee, Seung Geol / Jang, Seung Soon et al. | 2014
- 187
-
Finite element analysis of the grain size effect on diffusion in polycrystalline materialsLacaille, V. / Morel, C. / Feulvarch, E. / Kermouche, G. / Bergheau, J.-M. et al. | 2014
- 192
-
The lattice shift generated by two dimensional diffusion processWierzba, Bartek / Danielewski, Marek et al. | 2014
- 198
-
Analyzing molecular dynamics scattered data for large atomic movementsShakya, Shobhit S. / Karki, Bijaya B. / Zhang, Jian et al. | 2014
- 207
-
Optimized Lattice Monte Carlo for thermal analysis of compositesFiedler, T. / Belova, I.V. / Rawson, A. / Murch, G.E. et al. | 2014
- 213
-
Perspectives for cellular automata for the simulation of dendritic solidification – A reviewReuther, K. / Rettenmayr, M. et al. | 2014
- 221
-
Ab initio calculations of the structural, elastic, electronic and optical properties of Cu3N as well as Cu3NLa and Cu3NCe compoundsWu, Zhenli / Chen, Huangyu / Gao, Ning / Zhang, Enhui / Yang, Jianping / Yang, Tao / Li, Xing’ao / Huang, Wei et al. | 2014
- 228
-
First-principles investigation of elastic and thermodynamic properties of SiCN under pressureJia, Jinhuan / Zhou, Dawei / Zhang, Jie / Zhang, Feiwu / Lu, Zhiwen / Pu, Chunying et al. | 2014
- 235
-
Structure and bonding features of Ae6Mg7H26 (Ae=Sr, Ba) with complex polyhedrons: First-principles calculationsZhou, Si-Chen / Pan, Rong-Kai / Luo, Tao-Peng / Tang, Bi-Yu et al. | 2014
- 242
-
Finite element modelling of tensile deformation and failure of aluminium plate exposed to fireAfaghi Khatibi, A. / Kandare, E. / Feih, S. / Lattimer, B.Y. / Case, S.W. / Mouritz, A.P. et al. | 2014
- 250
-
Development a dislocation density based model considering the effect of stacking fault energy: Severe plastic deformationParvin, H. / Kazeminezhad, M. et al. | 2014
- 256
-
An efficient method to generate amorphous structures based on local geometryYoun, Yong / Kang, Youngho / Han, Seungwu et al. | 2014
- 263
-
Accurate projected augmented wave (PAW) datasets for rare-earth elements (RE=La–Lu)Topsakal, M. / Wentzcovitch, R.M. et al. | 2014
- 271
-
Electronic structure and optical properties of lithium tetraborate detector calculated using semi-local exchange correlation potentialSantos, C. / Lima, A.F. / Lalic, M.V. et al. | 2014
- 276
-
Modeling of lattice structure and dynamics of Ge doped α-quartzKislov, A.N. / Mikhailovich, A.P. / Zatsepin, A.F. et al. | 2014
- 280
-
A generalized plane-wave formulation of formalism and continuum-elasticity approach to elastic and electronic properties of semiconductor nanostructuresMarquardt, Oliver / Boeck, Sixten / Freysoldt, Christoph / Hickel, Tilmann / Schulz, Stefan / Neugebauer, Jörg / O’Reilly, Eoin P. et al. | 2014
- 280
-
A generalized plane-wave formulation of formalism and continuum-elasticity approach to elastic and electronic properties of semiconductor nanostructuresMarquardt, Oliver et al. | 2014
- 280
-
A generalized plane-wave formulation of Formula Not Shown formalism and continuum-elasticity approach to elastic and electronic properties of semiconductor nanostructuresMarquardt, O. / Boeck, S. / Freysoldt, C. / Hickel, T. / Schulz, S. / Neugebauer, J. r. / O’Reilly, E. P. et al. | 2014
- 288
-
A practical flow diagram for the solution of complex non-linear thermo-mechanical numerical modelsKaralis, D.G. / Tsouvalis, N.G. / Papazoglou, V.J. / Pantelis, D.I. et al. | 2014
- 302
-
An inverse analysis approach based on a POD direct model for the mechanical characterization of metallic materialsBocciarelli, M. / Buljak, V. / Moy, C.K.S. / Ringer, S.P. / Ranzi, G. et al. | 2014
- 309
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Two-dimensional simulation of reactive diffusion in binary systemsSvoboda, J. / Stopka, J. / Fischer, F.D. et al. | 2014
- 316
-
Spintronic and electronic properties of a positively charged NBVN center in hexagonal boron nitride monolayerZhang, Y.G. / Cheng, G.D. / Peng, W. / Tang, Z. et al. | 2014
- 320
-
Peptide–zinc oxide interaction: Finite element simulation using cohesive zone models based on molecular dynamics simulationSchäfer, I. / Lasko, G. / Do, T.A. / Pleiss, J. / Weber, U. / Schmauder, S. et al. | 2014
- 328
-
Optoelectronic and transport properties of Zintl phase KBa2Cd2Sb3 compoundKhan, Saleem Ayaz / Reshak, A.H. et al. | 2014
- 337
-
Pseudopotentials periodic table: From H to PuDal Corso, Andrea et al. | 2014
- 351
-
Modeling of morphological evolution of columnar dendritic grains in the molten pool of gas tungsten arc weldingHan, Rihong / Dong, Wenchao / Lu, Shanping / Li, Dianzhong / Li, Yiyi et al. | 2014
- 362
-
Piezoelectric molecular dynamics model for boron nitride nanotubesYamakov, Vesselin / Park, Cheol / Kang, Jin Ho / Wise, Kristopher E. / Fay, Catharine et al. | 2014
- 371
-
Dynamical and dielectric properties of MP2O7 (M=Ti, Zr, and Hf): A first-principles investigationXiang, Huimin / Feng, Zhihai / Zhou, Yanchun et al. | 2014
- 377
-
Phase stability and mechanical properties of ruthenium borides from first principles calculationsZhang, Xiaozheng / Zhao, Erjun / Wu, Zhijian / Li, Kai / Hou, Qingyu et al. | 2014
- 384
-
Theoretical exploration of the half-metallicity of graphene nanoribbons/boron nitride bilayer systemWu, Hui / Chen, Guang-hui / Yu, Yun-peng / Wu, Di / Wang, Qiang et al. | 2014
- 393
-
Assessment of irradiation hardening by DD simulationsDurgaprasad, P.V. / Dutta, B.K. / Singh, R.K. et al. | 2014
- 399
-
Theoretical insights into the electronic and magnetic behaviors of the metal substituted 1H-MoS2 systems: Their potential towards CO adsorption and sensingBasak, A. / Das, D. / Sen, D. / Chattopadhyay, K.K. et al. | 2014
- 408
-
Experimental observation and numerical simulation of SiC3D/Al interpenetrating phase composite material subjected to a three-point bending loadWang, Linlin / Fan, Qunbo / Li, Guoju / Zhang, Hongmei / Wang, Fuchi et al. | 2014
- 414
-
A mean-field interatomic potential for a multi-component β-type titanium alloyLiu, Yanxia / Wang, Hao / Wu, Henan / Xu, Dongsheng / Yang, Rui et al. | 2014
- 420
-
Phonon instability and ideal strength of silicene under tensionYang, Chuanghua / Yu, Zhongyuan / Lu, Pengfei / Liu, Yumin / Ye, Han / Gao, Tao et al. | 2014
- 429
-
The study of the P doped silicene nanoribbons with first-principlesZhang, Jian-Min / Song, Wan-Ting / Xu, Ke-Wei / Ji, Vincent et al. | 2014
- 435
-
Multi-scale modeling of dislocation boundaries: Understanding interaction and effect of rotation angleKhan, Shafique M.A. et al. | 2014
- 440
-
Electronic and magnetic properties of transition-metal-doped sodium superatom clusters: TM@Na8 (TM=3d, 4d and 5d transition metal)Guo, Ping / Zheng, Jiming / Guo, Xixi / Cao, Like / Wei, Qun et al. | 2014
- 446
-
Molecular dynamics simulation on the effect of the distance between SWCNTs for short polymers diffusion among single wall carbon nanotubesZhao, Xin-ting / Yang, Hua / Sheng, Yan-zhen / Li, Jun-yin / Sun, Miao et al. | 2014
- 451
-
Mechanism of hydrogen production via water splitting on 3C-SiC’s different surfaces: A first-principles studyDu, Jinglian / Wen, Bin / Melnik, Roderick et al. | 2014
- 456
-
Ab initio-based prediction and TEM study of silicide precipitation in titaniumPoletaev, D.O. / Lipnitskii, A.G. / Kartamyshev, A.I. / Aksyonov, D.A. / Tkachev, E.S. / Manokhin, S.S. / Ivanov, M.B. / Kolobov, Yu. R. et al. | 2014
- 464
-
The effects of adhesive strength and load on material transfer in nanoscale wearHu, Xiaoli / Sundararajan, Sriram / Martini, Ashlie et al. | 2014
- 470
-
First-principles investigation of the electronic structure and magnetic properties of multiferroic PrMn2O5Zhang, J. / Gao, L. / Li, Y.X. / Xu, B. / Yao, K.L. et al. | 2014
- 476
-
Geometries, stabilities, and electronic properties of small GanTi(0,±1) (n =1–10) clusters studied by density functional theoryShi, Shunping / Liu, Yiliang / Deng, Banglin / Zhang, Chuanyu / Jiang, Gang et al. | 2014
- 484
-
Effects of twist twin boundary and stacking fault on crack propagation of nanocrystal AlGao, L. / Song, H.Y. / Sun, Y. / Zhang, Y.G. et al. | 2014
- 491
-
Crystallization of supercooled liquid and glassy Fe thin filmsHoang, Vo Van / Long, Nguyen Truong / Son, Do Ngoc et al. | 2014
- 502
-
Glass formation and icosahedral medium-range order in liquid Ti–Al alloysXie, Zhuo-Cheng / Gao, Ting-Hong / Guo, Xiao-Tian / Qin, Xin-Mao / Xie, Quan et al. | 2014
- 509
-
First-principles prediction of the structural and electronic properties of GaxY1 − xN compoundsCherchab, Youcef / Azzouz, Mohamed / González-Hernández, Rafael / Talbi, Khedija et al. | 2014
- 517
-
Ab-initio determination of thermodynamic properties of CoSi2Niranjan, Manish K. et al. | 2014
- 522
-
A multi-scale computational method including contact for the analysis of damage in composite materialsDrosopoulos, Georgios A. / Wriggers, Peter / Stavroulakis, Georgios E. et al. | 2014
- 536
-
Strain-induced variation of electronic structure of helium in tungsten and its effects on dissolution and diffusionLi, Yu-Hao / Zhou, Hong-Bo / Jin, Shuo / Zhang, Ying / Lu, Guang-Hong et al. | 2014
- 540
-
Modeling of molar volume of the sigma phase involving transition elementsLiu, Wei / Lu, Xiao-Gang / He, Yan-Lin / Li, Lin et al. | 2014
- 551
-
Amorphization anisotropy and the internal of amorphous layer in diamond nanoscale frictionYang, Ning / Zong, WenJun / Li, ZengQiang / Sun, Tao et al. | 2014
- 557
-
Preserving the half-metallicity at the interfaces of zinc-blende MnSb/GaSb heterojunction: A density functional theory studyLiu, N. / Gao, G.Y. / Liu, J.B. / Yao, K.L. et al. | 2014
- 563
-
Doping-dependent thermoelectric properties of BiSb3Te6 from first-principle calculationsFeng, Songke / Li, Shuangming / Li, Xin / Fu, Hengzhi et al. | 2014
- 568
-
A new approach to the determination of plastic flow stress and failure initiation strain for aluminum alloys cutting processChen, Guang / Li, Jun / He, Yinglun / Ren, Chengzu et al. | 2014
- 579
-
Development of a ReaxFF reactive force field for intrinsic point defects in titanium dioxideHuygh, Stijn / Bogaerts, Annemie / van Duin, Adri C.T. / Neyts, Erik C. et al. | 2014
- 592
-
Elastic constants of cubic crystalsJamal, M. / Jalali Asadabadi, S. / Ahmad, Iftikhar / Rahnamaye Aliabad, H.A. et al. | 2014
- 600
-
Evolution of geometrical structures, stabilities and electronic properties of neutral and anionic Nbn −1Co (n =2–9) clusters: Comparison with pure niobium clustersLi, Hong-Hong / Kuang, Xiao-Yu / Ding, Li-Ping / Shao, Peng / Han, Li-Li / Lu, Ting-Ting et al. | 2014
- 610
-
Numerical analysis of elastic–plastic properties of polymer composite reinforced by wavy and random CNTsYuan, Zeshuai / Lu, Zixing et al. | 2014
- 620
-
Theoretical study on the elastic, electronic and thermodynamic properties of trigonal-type Cr2N under high pressuresMa, Shiqing / Liu, Ying / Ye, Jinwen / Zhang, Hao / Pang, Jia et al. | 2014
- 626
-
Effect of boundary conditions on the MD simulation of nanoindentationYaghoobi, Mohammadreza / Voyiadjis, George Z. et al. | 2014
- 637
-
Elastic moduli of covalently functionalized single layer graphene sheetsShah, P.H. / Batra, R.C. et al. | 2014
- 651
-
Numerical modeling of dual phase microstructure behavior under deformation conditions on the basis of digital material representationMadej, L. / Wang, J. / Perzynski, K. / Hodgson, P.D. et al. | 2014
- 663
-
Phase field modeling of ideal grain growth in a distorted microstructureJamshidian, M. / Zi, G. / Rabczuk, T. et al. | 2014
- 672
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A phase-field model of twinning and detwinning coupled with dislocation-based crystal plasticity for HCP metalsKondo, R. / Tadano, Y. / Shizawa, K. et al. | 2014
- 684
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Graphene reinforced nanocomposites: 3D simulation of damage and fractureDai, Gaoming / Mishnaevsky, Leon Jr. et al. | 2014
- 693
-
Materials properties of magnesium and calcium hydroxides from first-principles calculationsPishtshev, A. / Karazhanov, S. Zh / Klopov, M. et al. | 2014
- 706
-
First-principles studies of the structural, electronic and optical properties of dinitrides CN2, SiN2 and GeN2Manyali, George S. / Warmbier, Robert / Quandt, Alexander et al. | 2014
- 712
-
Electronic structures and optical properties of SnSe2(1− x )O2 x alloysXia, Congxin / An, Jiao / Wei, Shuyi / Jia, Yu / Zhang, Qiming et al. | 2014
- IFC
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IFC| 2014