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Nanodesign, Technology, and Computer Simulations最新文献

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Towards scalable quantum computers: nano-design and simulations of quantum register 迈向可扩展量子计算机:量子寄存器的纳米设计与模拟
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.837010
S. Kilin, A. Nizovtsev, A. Maloshtan, A. Pushkarchuk, V. Pushkarchuk, S. Kuten, F. Jelezko, J. Wrachtrup
{"title":"Towards scalable quantum computers: nano-design and simulations of quantum register","authors":"S. Kilin, A. Nizovtsev, A. Maloshtan, A. Pushkarchuk, V. Pushkarchuk, S. Kuten, F. Jelezko, J. Wrachtrup","doi":"10.1117/12.837010","DOIUrl":"https://doi.org/10.1117/12.837010","url":null,"abstract":"Quantum information technology (QIT) is extremely fast developing area strongly connected with achievements in modern physics. We present a review of recent achievements in implementation of solid-state scalable quantum processors with special emphasize on diamond-based quantum hardware.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"47 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":"123393634","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
Quantum chemical ab initio modeling of molecular structure of K, Mg aspartate salts in aqueous media 水介质中K, Mg天冬氨酸盐分子结构的量子化学从头算模型
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.836488
V. Soldatov, A. Pushkarchuk, Z. Kuvaeva
{"title":"Quantum chemical ab initio modeling of molecular structure of K, Mg aspartate salts in aqueous media","authors":"V. Soldatov, A. Pushkarchuk, Z. Kuvaeva","doi":"10.1117/12.836488","DOIUrl":"https://doi.org/10.1117/12.836488","url":null,"abstract":"The results of systematic theoretical studies of molecular structure, charge distribution and bond characteristics (bond lengths and bond orders) of potassium - magnesium aspartates ((Asp¯)3 K+ Mg2+) in aqueous solution obtained by ab initio quantum-chemical method are presented. The supermolecules including (Asp¯)3 K+ Mg2+ + nH2O + (n = 20, 40, 60, 100;) were considered. In all the cases supermolecule structure were optimized by using the total energy minimization of the system. The features of a structure of associates formed as a result of interaction of potassium and magnesium aspartates with molecules of water are studied. Is was shown, that in the aqueous solution K and Mg aspartates form stable complexes, the structural elements in which are joined by electrostatic interaction.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"31 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":"127721019","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
Study of superficial stress gradients by computer simulation and x-ray diffraction experiment 用计算机模拟和x射线衍射实验研究表面应力梯度
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.836980
Joaquim Teixeira de Assis, V. Monin, S. M. Iglesias
{"title":"Study of superficial stress gradients by computer simulation and x-ray diffraction experiment","authors":"Joaquim Teixeira de Assis, V. Monin, S. M. Iglesias","doi":"10.1117/12.836980","DOIUrl":"https://doi.org/10.1117/12.836980","url":null,"abstract":"Study of stress gradients is one of the important problems of the X-ray tensometry, especially, in the case of analysis of residual stress state arising after different modern treatments like material modifications by ion beam technologies or surface treatments by laser. These problems related directly with incompleteness of theoretical and experimental measurement techniques with using of X-ray diffraction for study of stress gradients and they are connected with nonlinear character of dependency of diffraction angle θφ,ψ versus sin2ψ and with broadening of diffraction line caused by surface stress gradient. Computer simulation gives possibility to resolve the problem of determination of stress state characterized by strong gradient. The objective of presented paper is to develop a methodology of determination of stress gradient parameters. The methodology is based on computer simulation of diffraction line and permits to make corrections of stress measurements made by diffraction sin2ψ-method.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"339 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":"116445684","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
Study of single structure of Con (n=6, 8, 10, 12, 14,16,18) nanoparticles Con (n=6, 8, 10, 12, 14,16,18)纳米颗粒的单一结构研究
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.836438
J. Tamulienė, G. Badenes, R. Vaišnoras, M. Balevičius, L. Rastenienė
{"title":"Study of single structure of Con (n=6, 8, 10, 12, 14,16,18) nanoparticles","authors":"J. Tamulienė, G. Badenes, R. Vaišnoras, M. Balevičius, L. Rastenienė","doi":"10.1117/12.836438","DOIUrl":"https://doi.org/10.1117/12.836438","url":null,"abstract":"Electronic and geometrical structures of Con (n=6, 8, 9, 10, 12, 14) particles have been studied using both the density functional theory and Hartree-Fock calculations. Structural and electronic differences to the corresponding clusters are presented. We have tried to recognize which structure (fcc or bcc) is more preferable for these particles. A four-fold and higher coordination of the Co atoms was found to be the particularly preferable coordination environment in small Con species. The key element of the Co particle is alsosuggested.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"7 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":"127242381","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
Tapping and shear-mode atomic force microscopy using a quartz tuning fork with high quality factor 使用高质量因子的石英音叉的敲击和剪切模式原子力显微镜
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.836902
V. T. Tùng, S. Chizhik, V. Chikunov, T. X. Hoai
{"title":"Tapping and shear-mode atomic force microscopy using a quartz tuning fork with high quality factor","authors":"V. T. Tùng, S. Chizhik, V. Chikunov, T. X. Hoai","doi":"10.1117/12.836902","DOIUrl":"https://doi.org/10.1117/12.836902","url":null,"abstract":"A high-resolution atomic force microscopy using a quartz tuning fork in ambient conditions has been developed, which operates in two modes: tapping and shear modes. In our designs, a tungsten tip, with radius about 30-50nm, was attached to one prong of the tuning fork. Furthermore, a combination of the transducer and AFM NT-206 (Belarus) allows the assembly of system of tuning fork gluing tungsten tip to retain a high quality factor of up to 9000. These results lead to the possibility of commercial applications of a simple, user-friendly and advantage system for atomic force microscopy.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"94 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":"114959356","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
Monte Carlo simulation of ionized impurity scattering process in bulk silicon 体硅中离子杂质散射过程的蒙特卡罗模拟
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.837084
D. Speransky
{"title":"Monte Carlo simulation of ionized impurity scattering process in bulk silicon","authors":"D. Speransky","doi":"10.1117/12.837084","DOIUrl":"https://doi.org/10.1117/12.837084","url":null,"abstract":"The results of Monte-Carlo simulation of ionized impurity scattering processes in doped silicon are presented. Adequacy and efficiency of the application of Ridley model to the calculation of ionized impurity scattering rates and electron mobility is proved via comparison of the simulation results with known experimental data.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"17 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":"124398592","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
Delay, change and bifurcation of the immunofluorescence distribution attractors in health statuses diagnostics and in medical treatment 免疫荧光分布吸引子在健康状况诊断和医疗中的延迟、变化和分岔
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.836452
N. Galich, M. V. Filatov
{"title":"Delay, change and bifurcation of the immunofluorescence distribution attractors in health statuses diagnostics and in medical treatment","authors":"N. Galich, M. V. Filatov","doi":"10.1117/12.836452","DOIUrl":"https://doi.org/10.1117/12.836452","url":null,"abstract":"Communication contains the description of the immunology experiments and the experimental data treatment. New nonlinear methods of immunofluorescence statistical analysis of peripheral blood neutrophils have been developed. We used technology of respiratory burst reaction of DNA fluorescence in the neutrophils cells nuclei due to oxidative activity. The histograms of photon count statistics the radiant neutrophils populations' in flow cytometry experiments are considered. Distributions of the fluorescence flashes frequency as functions of the fluorescence intensity are analyzed. Statistic peculiarities of histograms set for healthy and unhealthy donors allow dividing all histograms on the three classes. The classification is based on three different types of smoothing and long-range scale averaged immunofluorescence distributions and their bifurcation. Heterogeneity peculiarities of long-range scale immunofluorescence distributions allow dividing all histograms on three groups. First histograms group belongs to healthy donors. Two other groups belong to donors with autoimmune and inflammatory diseases. Some of the illnesses are not diagnosed by standards biochemical methods. Medical standards and statistical data of the immunofluorescence histograms for identifications of health and illnesses are interconnected. Possibilities and alterations of immunofluorescence statistics in registration, diagnostics and monitoring of different diseases in various medical treatments have been demonstrated. Health or illness criteria are connected with statistics features of immunofluorescence histograms. Neutrophils populations' fluorescence presents the sensitive clear indicator of health status.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"19 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":"126680281","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
Computer simulations of the Ni2MnGa alloys Ni2MnGa合金的计算机模拟
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.836900
T. Breczko, V. Nelayev, K. Dovzhik, M. Najbuk
{"title":"Computer simulations of the Ni2MnGa alloys","authors":"T. Breczko, V. Nelayev, K. Dovzhik, M. Najbuk","doi":"10.1117/12.836900","DOIUrl":"https://doi.org/10.1117/12.836900","url":null,"abstract":"This article reports an computer simulations of physical properties of Heusler NiMnGa alloy. Computer simulation are devoted to austenite phase. The chemical composition of researched specimens causes generation martesite and austenite phases.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"60 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":"132911869","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
Polymeric analogs of biological membranes 生物膜的聚合类似物
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.836483
Nataliya Marchyk, G. Zhavnerko, V. Agabekov
{"title":"Polymeric analogs of biological membranes","authors":"Nataliya Marchyk, G. Zhavnerko, V. Agabekov","doi":"10.1117/12.836483","DOIUrl":"https://doi.org/10.1117/12.836483","url":null,"abstract":"Thin composite films of amphiphilic polymer (poly-4-vinyl pyridine, PVP) with addition of membrane lipids (cholesterol, dipalmitoylphosphatidylcholine, stearic and behenic acids) were constructed by Langmuir-Blodgett method to develop coatings miming functions of lipid membranes. The structures of the polymer/lipid monolayers on solid surfaces were analyzed by AFM. Morphology of PVP monolayer is varied from uniform smooth surface to a \"labyrinthlike\" one depending on the surface pressure of film deposition. Flexibility of macrochains of polymer plays an important role in the process of film formation due to \"skeleton\" structure of the polymer. The mixture of the polymer and a lowmolecule component mainly in the ratio 1:10 possesses the domain structure where the amphiphilic polymer appears to be a matrix in which circle domains of a lipid are embed. It is demonstrated that films of amphiphilic PVP are stable on the porous surface of anodized aluminum oxide, which appear to have stability to the influence of water.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"56 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":"131975003","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
Defect structure and deformation behavior of intermetallic Ti3Al (computer simulation and TEM investigation) 金属间化合物Ti3Al的缺陷结构与变形行为(计算机模拟和TEM研究)
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.836994
L. Yakovenkova, L. Karkina
{"title":"Defect structure and deformation behavior of intermetallic Ti3Al (computer simulation and TEM investigation)","authors":"L. Yakovenkova, L. Karkina","doi":"10.1117/12.836994","DOIUrl":"https://doi.org/10.1117/12.836994","url":null,"abstract":"The explanation of the experimentally observed types of temperature dependences of the deformation characteristics of Ti3Al, based on computer simulation results of superdislocations core structure in different slip planes, is given. Mechanisms of micro and macrockack formation are studded. Orientation dependence of deformation behavior and fracture in Ti3Al is investigated.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"81 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":"122197145","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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