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Nanoparticle interactions: improvement of experimental optical data analysis 纳米粒子相互作用:实验光学数据分析的改进
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.836445
A. G. Bezrukova
{"title":"Nanoparticle interactions: improvement of experimental optical data analysis","authors":"A. G. Bezrukova","doi":"10.1117/12.836445","DOIUrl":"https://doi.org/10.1117/12.836445","url":null,"abstract":"The multiparametric analysis of simultaneous optical data (obtained from refractometry, absorbency, fluorescence and different types of light scattering) for nanoparticle ensembles (systems) can help to elucidate the processes of nanoparticle interactions. In the paper the improved analysis of static light scattering (integral and differential) data by presentation as optical parameter vectors is shown for mixtures of anthracene and β-cyclodextrin nanoparticles.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"8 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2008-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126969765","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
Molecular dynamic simulation of Ti3Al brittle fracture behavior Ti3Al脆性断裂行为的分子动力学模拟
Nanodesign, Technology, and Computer Simulations Pub Date : 2006-02-23 DOI: 10.1117/12.726719
Liudmila I. Yakovenkova, L. Karkina
{"title":"Molecular dynamic simulation of Ti3Al brittle fracture behavior","authors":"Liudmila I. Yakovenkova, L. Karkina","doi":"10.1117/12.726719","DOIUrl":"https://doi.org/10.1117/12.726719","url":null,"abstract":"The decohesion energy and the energy of unstable stacking faults for all cracking planes and dislocation slip systems observed experimentally are calculated using the molecular dynamics method with N-body interatomic potentials. A dimensionless parameter characterizing the brittle behavior of the material is calculated for basis, prism, and pyramid planes in terms of the model elaborated by Kelly et.al. and extended by Rice and Thompson. Cleavage in Ti3A1 is due to low decohesion energy values, which facilitates cracking, and high energies of unstable stacking faults, which prevents the formation of a plastic zone and stress relaxation at its top.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"30 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2006-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122788577","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
Fiftieth anniversary of molecular dynamics 分子动力学五十周年纪念
Nanodesign, Technology, and Computer Simulations Pub Date : 2006-02-23 DOI: 10.1117/12.726705
A. Melker
{"title":"Fiftieth anniversary of molecular dynamics","authors":"A. Melker","doi":"10.1117/12.726705","DOIUrl":"https://doi.org/10.1117/12.726705","url":null,"abstract":"The history of computer application in physics for solving nonlinear problems is considered. Examples from different branches of condensed matter physics (nonlinear vibrations of anharmonic chains of atoms, dynamics of radiation damage of crystals, deformation and fracture of crystals) are given. A new line of investigation and the results obtained in the field of computer simulation of physical processes realized in the department of metal physics and computer technologies in materials science are considered. This line incorporates both a study of self-organization and properties of new materials (fullerenes, carbon nanotubes) and biological objects by molecular dynamics technique as well as the development of new computer simulation methods.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"1984 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2006-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130542631","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
Atomistic study of the a-superdislocation core structures and microcrack formation in basal plane In Ti3Al Ti3Al基面超位错核心结构及微裂纹形成的原子研究
Nanodesign, Technology, and Computer Simulations Pub Date : 2006-02-23 DOI: 10.1117/12.726717
L. Yakovenkova, L. Karkina
{"title":"Atomistic study of the a-superdislocation core structures and microcrack formation in basal plane In Ti3Al","authors":"L. Yakovenkova, L. Karkina","doi":"10.1117/12.726717","DOIUrl":"https://doi.org/10.1117/12.726717","url":null,"abstract":"The work presents the study and crystallogeometrical analysis ofthe geometry of micro- and macrocracks in Ti3A1 single crystal with an orientation where the basal slip is operative. The structure of the core of a 1/6 <1120 > superpartial dislocation in the basal and prism planes is studied by computer simulation. A model for shear microcrack nucleation with screw a- superdislocatios interacting in the slip band of basal planes was suggested. The macrocracks path behaviour in Ti3A1 single crystal is discussed on the basis of the model proposed.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"71 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2006-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115396366","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
Influence of electromagnetic radiation on the movement of dislocations in ionic crystals 电磁辐射对离子晶体中位错运动的影响
Nanodesign, Technology, and Computer Simulations Pub Date : 2006-02-23 DOI: 10.1117/12.726787
V. Feodorov, T. N. Plushnikova, A. V. Chivanov, M. V. Chemerkina, R. Kirillov
{"title":"Influence of electromagnetic radiation on the movement of dislocations in ionic crystals","authors":"V. Feodorov, T. N. Plushnikova, A. V. Chivanov, M. V. Chemerkina, R. Kirillov","doi":"10.1117/12.726787","DOIUrl":"https://doi.org/10.1117/12.726787","url":null,"abstract":"Influence of electromagnetic radiation of a ultra-violet range on the movement of dislocations in ionic crystals is investigated. It is supposed that the interaction of dislocations with low-energy exciton forms the basis of the effects observed.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"44 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2006-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116283056","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
Modeling kinetics of α→γ transformation in steels 钢中α→γ转变的模拟动力学
Nanodesign, Technology, and Computer Simulations Pub Date : 2006-02-23 DOI: 10.1117/12.726721
N. Zolotorevsky, P. Golikov, Yuri F. Titovets
{"title":"Modeling kinetics of α→γ transformation in steels","authors":"N. Zolotorevsky, P. Golikov, Yuri F. Titovets","doi":"10.1117/12.726721","DOIUrl":"https://doi.org/10.1117/12.726721","url":null,"abstract":"The model for austenite growth during α→γ transformation in steels is developed in order to provide modeling of the transformation kinetics with regard to the steel microstructure parameters and the processing condition. Two cases of austenite growth are considered, which can take place during intercritical annealing of low carbon steels. In the simplest case the one-dimension austenite growth is considered to start from the boundary between cementite and ferrite phases and to proceed into ferrite. Herewith, the rate-controlling stage of the growth process is the carbon diffusion from the cementite/austenite boundary to the austenite/ferrite boundary. In the second case the austenite growth is considered to start from the boundary between ferrite grain and pearlite region, and then proceeds into pearlite. Herewith, the carbon diffusion in austenite in immediate proximity to the transformation front controls the growth rate. Agreement of the models suggested with the experimental data is demonstrated.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"39 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2006-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121724466","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
Computer simulation of electrohydraulic sheet metal forming 电液板料成形的计算机模拟
Nanodesign, Technology, and Computer Simulations Pub Date : 2006-02-23 DOI: 10.1117/12.726760
A. V. Mamutov, Viacheslav S. Mamutov
{"title":"Computer simulation of electrohydraulic sheet metal forming","authors":"A. V. Mamutov, Viacheslav S. Mamutov","doi":"10.1117/12.726760","DOIUrl":"https://doi.org/10.1117/12.726760","url":null,"abstract":"Electrohydraulic stamping based on a high-voltage electric discharge in a liquid is used for producing sheet metal parts. The nature of stamping process is defined by nonlinear transient processes in a discharge circuit, in a plasma channel, in a compressible liquid and in an elastoplastic deformable shell. The computer model of process based on finite-difference approach is developed. Also the simulation of the given process with finite-element code LS-DYNA was made. The results are presented for axis-symmetric case.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"79 3-4 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2006-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116562072","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
Prevention of cyclic instability at the modeling of elasto-plastic deformation at large strains under proportional and non-proportional loading 比例和非比例加载下大应变弹塑性变形模型的循环失稳预防
Nanodesign, Technology, and Computer Simulations Pub Date : 2006-02-23 DOI: 10.1117/12.726764
A. Semenov, B. Melnikov, M. Gorokhov, V. Ulbricht
{"title":"Prevention of cyclic instability at the modeling of elasto-plastic deformation at large strains under proportional and non-proportional loading","authors":"A. Semenov, B. Melnikov, M. Gorokhov, V. Ulbricht","doi":"10.1117/12.726764","DOIUrl":"https://doi.org/10.1117/12.726764","url":null,"abstract":"The cyclic instability phenomenon is investigated at the modeling of large elasto-plastic strains. The instability is observed at large strains for some elasto-plastic material models with a kinematic hardening in contrast to the small strain case. The cyclic instability manifests itself as a changing of shape, sizes or location of the hysteresis loop during cycling. In partial case the cyclic instability leads to the stress ratcheting. Responses of 50 various models of elasto-plastic material have been considered under proportional loading (cyclic simple shear) and non-proportional loading (combined cyclic simple shear and tension-compression). Causes of the cyclic instability are analyzed and conditions ensuring the cyclic stability of elasto-plastic models are proposed.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"24 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2006-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115827764","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: 5
Visualization of four-variable algebraic equations representing form and coloration simultaneously 同时表示形式和颜色的四变量代数方程的可视化
Nanodesign, Technology, and Computer Simulations Pub Date : 2006-02-23 DOI: 10.1117/12.726777
T. Tarasova, Vladimir M. Degtyarev
{"title":"Visualization of four-variable algebraic equations representing form and coloration simultaneously","authors":"T. Tarasova, Vladimir M. Degtyarev","doi":"10.1117/12.726777","DOIUrl":"https://doi.org/10.1117/12.726777","url":null,"abstract":"In the beginning of the four variables algebraic equations research two problems were faced. Having more variables then equations in the equations set for visualization is the first one. Having several roots of the color equation which should be shown by one color value is the second one. In the given article results of solving these problems are represented. Different methods of setting relation between colour equation roots and colour in the point are esteemed. Examples of colouring the algebraic surfaces by adding a forth variable to its equation, examples of painted surfaces as well.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"41 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2006-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133345779","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
Micromechanics of screw dislocations in elastic solids with inner and outer cylindrical boundaries 具有内外圆柱形边界的弹性固体中螺位错的细观力学
Nanodesign, Technology, and Computer Simulations Pub Date : 2006-02-23 DOI: 10.1117/12.726778
P. Gusev, M. Gutkin, A. Sheinerman, M. Smirnov
{"title":"Micromechanics of screw dislocations in elastic solids with inner and outer cylindrical boundaries","authors":"P. Gusev, M. Gutkin, A. Sheinerman, M. Smirnov","doi":"10.1117/12.726778","DOIUrl":"https://doi.org/10.1117/12.726778","url":null,"abstract":"Boundary-value problems in the isotropic theory of elasticity for a screw dislocation in the wall of a hollow cylinder and in a solid with two cylindrical voids have been solved rigorously by means of the method of virtual image dislocations. The elastic stress fields, energies and image forces on the dislocation have been analyzed in detail. In a special limiting case, the stress fields of a screw dislocation in a half-space containing a cylindrical void have been derived. The solutions obtained may be used for theoretical investigation of dislocation nucleation and behavior in hollow nanotubes as well as for a study of the formation and dynamics of cylindrical voids in plastically deformed crystals.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"116 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2006-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114288315","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
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