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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
1

EFFECTS OF POROSITY AND TEMPERATURE ON THE MECHANICALPROPERTIES OF HOLEY GRAPHENE SHEETS

Stewart, Robert L., Stewart 26 September 2018 (has links)
No description available.
2

Diagnostics and Degradation Investigations of Li-Ion Battery Electrodes using Single Nanowire Electrochemical Cells

Palapati, Naveen kumar reddy, Palapati, Naveen kumar reddy 01 January 2016 (has links)
Portable energy storage devices, which drive advanced technological devices, are improving the productivity and quality of our everyday lives. In order to meet the growing needs for energy storage in transportation applications, the current lithium-ion (Li-ion) battery technology requires new electrode materials with performance improvements in multiple aspects: (1) energy and power densities, (2) safety, and (3) performance lifetime. While a number of interesting nanomaterials have been synthesized in recent years with promising performance, accurate capabilities to probe the intrinsic performance of these high-performance materials within a battery environment are lacking. Most studies on electrode nanomaterials have so far used traditional, bulk-scale techniques such as cyclic voltammetry, electrochemical impedance spectroscopy, and Raman spectroscopy. These approaches give an ensemble-average estimation of the electrochemical properties of a battery electrode and does not provide a true indication of the performance that is intrinsic to its material system. Thus, new techniques are essential to understand the changes happening at a single particle level during the operation of a battery. The results from this thesis solve this need and study the electrical, mechanical and size changes that take place in a battery electrode at a single particle level. Single nanowire lithium cells are built by depositing nanowires in carefully designed device regions of a silicon chip using Dielectrophoresis (DEP). This work has demonstrated the assembly of several NW cathode materials like LiFePO4, pristine and acid-leached α-MnO2, todorokite – MnO2, acid and nonacid-leached Na0.44MnO2. Within these materials, α-MnO2 was chosen as the model material system for electrochemical experiments. Electrochemical lithiation of pristine α-MnO2 was performed inside a glove box. The volume, elasticity and conductivity changes were measured at each state-of-charge (SOC) to understand the performance of the material system. The NW size changes due to lithiation were measured using an Atomic Force Microscope (AFM) in the tapping mode. Electronic conductivity changes as a function of lithiation was also studied in the model α-MnO2 NWs and was found to decrease substantially with lithium loading. In other measurements involving a comparison between the alpha and todorokite phases of this material system, it was observed that the rate capability of these materials is limited not by the electronic but, by the ionic conductivity. Mechanical degradation of a battery cathode represents an important failure mode, which results in an irreversible loss of capacity with cycling. To analyze and understand these degradation mechanisms, this thesis has tested the evolution of nanomechanical properties of a battery cathode. Specifically, contact-mode AFM measurements have focused on the SOC-dependent changes in the Young’s modulus and fracture strength of an α-MnO2 NW electrode, which are critical parameters that determine its mechanical stability. These changes have been studied at the end of the first discharge step, 1 full electrochemical cycle, and 20 cycles. The observations show an increase in Young’s modulus at low concentrations of lithium loading and this is attributed to the formation of new Li-O bonds within the tunnel-structured cathode. As the lithium loading increases further, the Young’s modulus was observed to reduce and this is hypothesized to occur due to the distortions of the crystal at high lithium concentrations. The experimental-to-theoretical fracture strength ratio, which points to the defect density in the crystal at a given stoichiometry, was observed to reduce with electrochemical lithium insertion / cycling. This capability has demonstrated lithiation-dependent mechanical property measurements for the first time and represents an important contribution since degradation models, which are currently in use for materials at any size scale, always assume constant values regardless of the change in stoichiometry.
3

Measurement of Thermo-Mechanical Properties of Co-Sputtered SiO2-Ta2O5 Thin Films

Lankford, Maggie E. 09 August 2021 (has links)
No description available.
4

Elastic Modulus Determination of Krouse Specimens through Resonance using Simple Beam Theory

Saheli, Massih 13 June 2019 (has links)
No description available.
5

Förstärkta strävor i trätakstolar för ökad tryckkapacitet : En laborativ undersökning / Reinforced compression members in wooden roof trusses : An experimental investigation

Karlsson, Tomas, Fromell, Johan January 2007 (has links)
I vissa takstolskonstruktioner kan det ibland uppstå stora tryckkrafter i diagonala reglar. I Sverige löser man oftast detta med hjälp av stagning tvärs diagonalen för att hindra utböjning i veka riktningen. Ibland när det är svårt att på plats trä in strävor på grund av utrymmesbrist och dylikt kan man spika eller skruva på en regel för att på så sätt förstärka den diagonala strävan. Detta examensarbete har undersökt två olika förstärkningsalternativ, rektangulärt- och T-tvärsnitt, med hjälp av reglar med dimension 45x95 mm2 vilka skruvas respektive spikas ihop. Detta har gjorts laborativt genom att trycka provkroppar i en provningsram och undersöka hur mycket den axiala kapaciteten ökar med förstärkning. De två olika förstärkningslösningarna bygger på att man på plats kan förstärka strävor med enkla medel. Testbitarna har levererats till Växjö universitet och är av oklassat virke. Provbitarnas E-modul har undersökts för att på teoretisk väg undersöka hur stor axialkraftskapacitet den primära strävan har utan förstärkning. Provkroppar tillverkades och konditionerades i klimatrum, med temperaturen 20°C och 65 % RF, i ca tre veckor före provtryckning. De laborativa värdena visar att den axiella kapaciteten ökar med 1,9 – 2,7 ggr för de rektangulära tvärsnitten och 2,5 – 4,0 ggr för T-tvärsnitten. Förstärkningsfaktorn är beroende av längd, förstärkningsalternativ och sammanfogning. Förstärkningseffektiviteten är högst för de längre strävorna. / In wooden roof trusses there sometimes may occur buckling in compressed web members. In most cases in Sweden this is solved by bracing between two webs to prevent buckling of the minor axis. Sometimes it is hard to brace between webs because of lack of space. Then it is possible to nail or screw a side member on the compressed web to increase the capacity. This diploma work has examined two different ways of bracing, rectangular cross section and T-bracing, with webs 45x95 mm2. Experimental tests have been made on compression webs and examine the bracing efficiency. It is important that the bracing alternatives are easy to use with simple tools. Ungraded lumber were delivered to Växjö University. The Youngs modulus of the test pieces has been examined so the critical buckling load of the main member without bracing could be calculated theoretically. The lumber was conditioned to equilibrium moisture content of approximately 12 percent in a room maintained at 65 percent relative humidity and 20°C in three weeks before testing the critical buckling load. The experimental results show that the critical buckling load increases with a factor of 1,9 – 2,7 for the rectangular cross sections and with a factor of 2,5 – 4,0 for the T-bracing. The bracing efficiency is dependent on length, bracing alternative and type of connectors.. The bracing efficiency increases for longer webs.
6

Förstärkta strävor i trätakstolar för ökad tryckkapacitet : En laborativ undersökning / Reinforced compression members in wooden roof trusses : An experimental investigation

Karlsson, Tomas, Fromell, Johan January 2007 (has links)
<p>I vissa takstolskonstruktioner kan det ibland uppstå stora tryckkrafter i diagonala reglar. I Sverige löser man oftast detta med hjälp av stagning tvärs diagonalen för att hindra utböjning i veka riktningen. Ibland när det är svårt att på plats trä in strävor på grund av utrymmesbrist och dylikt kan man spika eller skruva på en regel för att på så sätt förstärka den diagonala strävan. Detta examensarbete har undersökt två olika förstärkningsalternativ, rektangulärt- och T-tvärsnitt, med hjälp av reglar med dimension 45x95 mm2 vilka skruvas respektive spikas ihop. Detta har gjorts laborativt genom att trycka provkroppar i en provningsram och undersöka hur mycket den axiala kapaciteten ökar med förstärkning. De två olika förstärkningslösningarna bygger på att man på plats kan förstärka strävor med enkla medel.</p><p>Testbitarna har levererats till Växjö universitet och är av oklassat virke. Provbitarnas E-modul har undersökts för att på teoretisk väg undersöka hur stor axialkraftskapacitet den primära strävan har utan förstärkning. Provkroppar tillverkades och konditionerades i klimatrum, med temperaturen 20°C och 65 % RF, i ca tre veckor före provtryckning.</p><p>De laborativa värdena visar att den axiella kapaciteten ökar med 1,9 – 2,7 ggr för de rektangulära tvärsnitten och 2,5 – 4,0 ggr för T-tvärsnitten. Förstärkningsfaktorn är beroende av längd, förstärkningsalternativ och sammanfogning. Förstärkningseffektiviteten är högst för de längre strävorna.</p> / <p>In wooden roof trusses there sometimes may occur buckling in compressed web members. In most cases in Sweden this is solved by bracing between two webs to prevent buckling of the minor axis. Sometimes it is hard to brace between webs because of lack of space. Then it is possible to nail or screw a side member on the compressed web to increase the capacity. This diploma work has examined two different ways of bracing, rectangular cross section and T-bracing, with webs 45x95 mm2. Experimental tests have been made on compression webs and examine the bracing efficiency. It is important that the bracing alternatives are easy to use with simple tools.</p><p>Ungraded lumber were delivered to Växjö University. The Youngs modulus of the test pieces has been examined so the critical buckling load of the main member without bracing could be calculated theoretically. The lumber was conditioned to equilibrium moisture content of approximately 12 percent in a room maintained at 65 percent relative humidity and 20°C in three weeks before testing the critical buckling load.</p><p>The experimental results show that the critical buckling load increases with a factor of 1,9 – 2,7 for the rectangular cross sections and with a factor of 2,5 – 4,0 for the T-bracing. The bracing efficiency is dependent on length, bracing alternative and type of connectors.. The bracing efficiency increases for longer webs.</p>
7

Synthesis and Characterization of Amino Acid-based Poly(ester urea)

Yu, Jiayi 07 June 2013 (has links)
No description available.
8

Propriedades termo-mecânicas de filmes finos de a-SiC:H e SiOxNy e desenvolvimento de MEMS. / Thermo-mechanical properties of a-SiC:H and SiOxNy thin films and development of MEMS.

Rehder, Gustavo Pamplona 12 November 2008 (has links)
O presente trabalho, realizado junto ao Grupo de Novos Materiais e Dispositivos (GNMD), no Laboratório de Microeletrônica do Departamento de Sistemas Eletrônicos da Escola Politécnica da USP, visou determinar algumas das propriedades termo-mecânicas de materiais depositados pela técnica de plasma enhanced chemical vapor deposition (PECVD) que são importantes para o desenvolvimento de sistemas microeletromecânicos (MEMS). O módulo de elasticidade, a tensão mecânica residual, o coeficiente de expansão térmica e a condutividade térmica de filmes finos de carbeto de silício amorfo hidrogenado (a-SiC:H) e de oxinitreto de silício (SiOxNy) foram estudados. Medidas de nanoindentação e ressonância de cantilevers foram utilizadas para a obtenção do módulo de elasticidade e os resultados obtidos foram similares (75 e 91 GPa) pelos dois métodos e compatíveis com valores encontrados na literatura. Além disso, obteve-se o módulo de elasticidade de filmes de cromo (285 GPa). A tensão mecânica residual dos filmes utilizados neste trabalho foi medida através da curvatura do substrato induzida pela deposição dos filmes e pela deformação de cantilevers. O valor médio da tensão mecânica, obtido pela curvatura do substrato, variou de -69 MPa até -1750 MPa, mostrando grande dependência das condições de deposição dos filmes. O método que utiliza a deformação de cantilevers possibilitou a obtenção do gradiente de tensão mecânica, que também mostrou uma dependência das condições de deposição, sendo sempre o a-SiC:H quase estequiométrico o menos tensionado. O coeficiente de expansão térmica foi medido utilizando a técnica do gradiente de temperatura e o valor obtido foi similar a valores reportados na literatura para o carbeto de silício cristalino. Para um a-SiC:H quase estequiométrico foi obtido um coeficiente de expansão térmica de 3,41 m/oC, enquanto para um a-SiC:H rico em carbono o valor foi de 4,36 m/oC. Também foi verificado que a variação da resistência do cromo em função da temperatura é pequena, não permitindo sua utilização como sensor de temperatura e inviabilizando a obtenção da condutividade térmica dos filmes estudados. Além disso, foram apresentados trabalhos promissores, mostrando o potencial dos materiais estudados para o desenvolvimento de MEMS. Nesses trabalhos, demonstrou-se a viabilidade de integrar microestruturas atuadas termicamente e guias de onda ópticos, utilizando os materiais estudados neste trabalho. Foram fabricados chaves ópticas, portas lógicas ópticas, fontes de luz integradas e acoplamento das fontes de luz com guias de onda. / This work, realized at the New Materials and Devices Group (GNMD) at the Microelectronics Laboratory of the Department of Electronic Systems of the Polytechnic School of the University of São Paulo, focused at the determination of thermo-mechanical properties of materials deposited by plasma enhanced chemical vapor deposition (PECVD) that are important for the development of microelectromechanical systems (MEMS). The Youngs modulus, the residual stress, the coefficient of thermal expansion and the thermal conductivity of amorphous hydrogenated silicon carbide (a-SiC:H) and silicon oxynitride (SiOxNy) thin films were studied. Nanoindentation and the resonance of cantilevers were used to obtain the Youngs modulus. The results were similar (75 and 91 GPa) with both methods and compatible with literature values. Further, the Youngs modulus of chromium films was also obtained (285 GPa). The residual stress of thin films was obtained through the substrate curvature induced by the film deposition and through the deformation of cantilever beams. The residual stress, obtained through the substrate curvature, varied between -69 MPa and -1750 MPa, showing great dependence on the deposition conditions of these materials. The deformation of cantilevers allowed the determination of the stress gradient and it was also affected by the deposition conditions. In all stress measurements the near stoichiometry a-SiC:H film was less stressed. The coefficient of thermal expansion was measured using the temperature gradient technique and the obtain values were similar to those reported in the literature for crystalline silicon carbide. For a near stoichiometry a-SiC:H film, a value of 3.41 m/oC was obtained, while a carbon rich film showed a thermal expansion coefficient of 4.36 m/oC. It was also verified that the variation of the chromium resistance as a function of temperature is small. This did not allow the utilization of chromium as a temperature sensor, which prevented the obtention of the thermal conductivity of the studied films. Also, some promising works were presented, showing potential applications of the studied materials for the development of MEMS. In these works, the viability of integration of thermal actuated microstructures and optical waveguides was demonstrated. In these works, optical switches, optical logic gates, integrated light sources and coupling of integrated light sources with optical waveguides were presented.
9

Propriedades termo-mecânicas de filmes finos de a-SiC:H e SiOxNy e desenvolvimento de MEMS. / Thermo-mechanical properties of a-SiC:H and SiOxNy thin films and development of MEMS.

Gustavo Pamplona Rehder 12 November 2008 (has links)
O presente trabalho, realizado junto ao Grupo de Novos Materiais e Dispositivos (GNMD), no Laboratório de Microeletrônica do Departamento de Sistemas Eletrônicos da Escola Politécnica da USP, visou determinar algumas das propriedades termo-mecânicas de materiais depositados pela técnica de plasma enhanced chemical vapor deposition (PECVD) que são importantes para o desenvolvimento de sistemas microeletromecânicos (MEMS). O módulo de elasticidade, a tensão mecânica residual, o coeficiente de expansão térmica e a condutividade térmica de filmes finos de carbeto de silício amorfo hidrogenado (a-SiC:H) e de oxinitreto de silício (SiOxNy) foram estudados. Medidas de nanoindentação e ressonância de cantilevers foram utilizadas para a obtenção do módulo de elasticidade e os resultados obtidos foram similares (75 e 91 GPa) pelos dois métodos e compatíveis com valores encontrados na literatura. Além disso, obteve-se o módulo de elasticidade de filmes de cromo (285 GPa). A tensão mecânica residual dos filmes utilizados neste trabalho foi medida através da curvatura do substrato induzida pela deposição dos filmes e pela deformação de cantilevers. O valor médio da tensão mecânica, obtido pela curvatura do substrato, variou de -69 MPa até -1750 MPa, mostrando grande dependência das condições de deposição dos filmes. O método que utiliza a deformação de cantilevers possibilitou a obtenção do gradiente de tensão mecânica, que também mostrou uma dependência das condições de deposição, sendo sempre o a-SiC:H quase estequiométrico o menos tensionado. O coeficiente de expansão térmica foi medido utilizando a técnica do gradiente de temperatura e o valor obtido foi similar a valores reportados na literatura para o carbeto de silício cristalino. Para um a-SiC:H quase estequiométrico foi obtido um coeficiente de expansão térmica de 3,41 m/oC, enquanto para um a-SiC:H rico em carbono o valor foi de 4,36 m/oC. Também foi verificado que a variação da resistência do cromo em função da temperatura é pequena, não permitindo sua utilização como sensor de temperatura e inviabilizando a obtenção da condutividade térmica dos filmes estudados. Além disso, foram apresentados trabalhos promissores, mostrando o potencial dos materiais estudados para o desenvolvimento de MEMS. Nesses trabalhos, demonstrou-se a viabilidade de integrar microestruturas atuadas termicamente e guias de onda ópticos, utilizando os materiais estudados neste trabalho. Foram fabricados chaves ópticas, portas lógicas ópticas, fontes de luz integradas e acoplamento das fontes de luz com guias de onda. / This work, realized at the New Materials and Devices Group (GNMD) at the Microelectronics Laboratory of the Department of Electronic Systems of the Polytechnic School of the University of São Paulo, focused at the determination of thermo-mechanical properties of materials deposited by plasma enhanced chemical vapor deposition (PECVD) that are important for the development of microelectromechanical systems (MEMS). The Youngs modulus, the residual stress, the coefficient of thermal expansion and the thermal conductivity of amorphous hydrogenated silicon carbide (a-SiC:H) and silicon oxynitride (SiOxNy) thin films were studied. Nanoindentation and the resonance of cantilevers were used to obtain the Youngs modulus. The results were similar (75 and 91 GPa) with both methods and compatible with literature values. Further, the Youngs modulus of chromium films was also obtained (285 GPa). The residual stress of thin films was obtained through the substrate curvature induced by the film deposition and through the deformation of cantilever beams. The residual stress, obtained through the substrate curvature, varied between -69 MPa and -1750 MPa, showing great dependence on the deposition conditions of these materials. The deformation of cantilevers allowed the determination of the stress gradient and it was also affected by the deposition conditions. In all stress measurements the near stoichiometry a-SiC:H film was less stressed. The coefficient of thermal expansion was measured using the temperature gradient technique and the obtain values were similar to those reported in the literature for crystalline silicon carbide. For a near stoichiometry a-SiC:H film, a value of 3.41 m/oC was obtained, while a carbon rich film showed a thermal expansion coefficient of 4.36 m/oC. It was also verified that the variation of the chromium resistance as a function of temperature is small. This did not allow the utilization of chromium as a temperature sensor, which prevented the obtention of the thermal conductivity of the studied films. Also, some promising works were presented, showing potential applications of the studied materials for the development of MEMS. In these works, the viability of integration of thermal actuated microstructures and optical waveguides was demonstrated. In these works, optical switches, optical logic gates, integrated light sources and coupling of integrated light sources with optical waveguides were presented.
10

Untersuchung des Verhaltens von einwandigen Kohlenstoffnanoröhren mit einem neu entwickelten molekularmechanischen Modell

Eberhardt, Oliver 19 March 2021 (has links)
Kohlenstoffnanoröhren (Carbon Nanotubes, CNTs) gelten seit einigen Jahren als vielversprechendes neuartiges Material für verschiedenste Anwendungen in der Technik unterschiedlicher Fachgebiete. Von besonderem Interesse, z.B. in Leichtbaustrukturen, sind die postulierten exzellenten mechanischen Eigenschaften der einzelnen CNTs hinsichtlich Steifigkeit und Festigkeit. Diese auf der Nanoskala identifizierten Eigenschaften sollen auch in makroskopischen Bauteilen zu besonders guten mechanischen Eigenschaften führen. Demonstriert werden kann dies zum Beispiel an einer neuartigen Faser, die aus einer Vielzahl individueller Kohlenstoffnanoröhren gesponnen wurde. An dieser Faser durchgeführte Tests zeigen jedoch, dass die Eigenschaften nicht in der gewünschten Höhe von der Nanoskale auf die Makroskale übertragen werden. Um diesen Effekt erklären und evtl. beheben zu können, sowie für das Design von Strukturen aus Nanoröhren ('Superstrukturen') und einige weitere Anwendungen, sind Simulationsmodelle nötig, die die grundlegenden mechanischen (elastischen) Eigenschaften beschreiben können und zudem mit einer sehr großen Anzahl beteiligter CNTs und damit Atome umgehen können. Betrachtet man dies zusätzlich unter dem Aspekt, dass, beispielsweise zu Designzwecken, jeweils Rechnungen zu mehreren Varianten notwendig sind, ist verständlich, dass für jeden Durchlauf nur eine begrenzte Menge an Rechenzeit aufgebracht werden soll. Daher wird in der vorliegenden Arbeit ein mechanisches Modell der Kohlenstoffnanoröhren entwickelt, das die geforderte Aufgabe um ein Vielfaches schneller als quantenmechanische Methoden oder auch klassische Molekulardynamik behandeln kann. Basis hierfür ist ein molekularmechanischer Ansatz, der ein Ersatzmodell der betrachteten Kohlenstoffnanoröhre aus Balkenelementen erzeugt. Die zur Definition des Balkenfachwerks nötigen Balkeneigenschaften werden hierbei aus einem zugrundeliegenden chemischen Kraftfeld abgeleitet, das die kovalenten Bindungen zwischen den Atomen der Nanoröhre beschreibt. Der Ansatz ist damit in die Klasse der 'molecular structural mechanics' (MSM) Ansätze einzuordnen. Ausgangspunkt der vorliegenden Arbeit ist zunächst ein etabliertes MSM-Modell, dessen Schwächen in der vorliegenden Arbeit analysiert werden. Dabei wird festgestellt, dass der bisher verwendete MSM-Ansatz nicht energetisch konsistent zum zugrundeliegenden chemischen Kraftfeld ist. Dieser Umstand wird zunächst durch die Entwicklung eines modifizierten MSM-Modells behoben. Anschließend wird gezeigt, dass dieses Modell energetisch konsistent zum eingesetzten Kraftfeld ist. Um weitere Fortschritte mit dem gewählten molekularmechanischen Ansatz zu erzielen, wird dann ein verallgemeinertes MSM-Modell auf Basis eines fortschrittlichen chemischen Kraftfeldes entwickelt, das weitere Nachteile des ursprünglichen Ansatzes behebt und universeller einsetzbar ist. Das Modell wird dann zur Bestimmung der elastischen Konstanten von Armchair und Zig-zag CNTs eingesetzt und die erhaltenen Ergebnisse diskutiert.:1. Grundlagen 2. Modellbildung und Simulation einwandiger Kohlenstoffnanoröhren 3. Ergebnisse und Diskussion zum Zweck der Modellentwicklung 4. Ergebnisse und Diskussion der elastischen Parameter einwandiger CNTs 5. Zusammenfassung und Ausblick / For several years now, Carbon Nanotubes (CNTs) are seen as a promising new material for manifold applications in new technologies from different fields. The predicted excellent mechanical properties such as high strength and stiffness are of particual interest e.g. in lightweight structures. The nanoscopic propertiers are prone to lead to good mechanical properties also in macrosopic parts. This can be demonstrated for instance on the basis of a novel type of carbon fiber which is spun out of a multitude of individual carbon nanotubes. However, tests of the fibre show that the outstanding properties on the nanoscale are not fully transfered to the macroscale. In order to explain this effect as well as for designing structures made out of nanotubes (so called super structures) and other applications, models for simulations are needed. These models should be capable of reproducing the basic (elastic) mechnical properties of the nanotubes as well as to be capcable of dealing with a large number of participating nanotubes and hence atoms. Considering the additional aspect that multiple calculations of similar systems, e.g. for design purposes, are required, it is easy to understand, that for each calculation only a limited amount of computational effort is affordable. Hence, in the present work a mechanical model for the carbon nanotubes is developed which can fulfil the requested task in a much shorter time than quantummechanical or moleculardynamic calculations. The model is based on a molecular mechanics approach which creates a substitute model for the carbon nanotube based on beam elements. The parameters mandatory to define the beam elements in the beam framework are obtained on the basis of a chemical force field forming the foundation of the approach. The chemical force fields describes the properties of the covalent bonds in the carbon nanotube. As a result, the proposed model can be classified to be part of the molecular structural mechanics (MSM) approaches. Starting point of the present work is a well known MSM-model which is at first analyzed in order to identify its drawbacks. During this investigation it is found, that the model used so far is not consistent in terms of energy to its underlying chemical force field. This problem is fixed by the development of a modified MSM-approach. It is shown that this modified approach is now consistent to the underlying chemical force field in terms of energy. In order to further improve the method, a generalized, advanced MSM-framework is developed on the basis of a sophisticated chemical force field. This advanced framework resolves further drawbacks of the models and enables a more general application of the model. The obtained model is then used to calculate and discuss the elastic constants of Armchair and Zig-zag Carbon Nanotubes.:1. Grundlagen 2. Modellbildung und Simulation einwandiger Kohlenstoffnanoröhren 3. Ergebnisse und Diskussion zum Zweck der Modellentwicklung 4. Ergebnisse und Diskussion der elastischen Parameter einwandiger CNTs 5. Zusammenfassung und Ausblick

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