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Dissertations / Theses on the topic 'Non Cartan dynamics'

Author: Grafiati

Published: 14 March 2023

Last updated: 31 July 2025

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1

Terna, Stefano. "Strong Coupling Analysis of D=2 and D=4 Maximally Supersymmetric YM Theories." Doctoral thesis, SISSA, 2000. http://hdl.handle.net/20.500.11767/4330.

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2

Cannon, James J. "Non-equilibrium molecular dynamics simulations of flow through carbon nanotubes." Thesis, University of Surrey, 2009. http://epubs.surrey.ac.uk/843548/.

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With increasing pressure on resources, filtration plays a key role in the lives of everyone on this planet. This can, for example, be in terms of desalination to obtain clean drinking water, hydrocarbon separation for gasoline production, or gas separation to meet stringent environmental regulations. In the design of membranes for applications such as these, fast transport of atoms combined with high selectivity is desired, and aligned carbon nanotube membranes show great promise in this respect. In order to design and tailor nanotube-membranes for optimum performance in specific applications,

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3

Martin, Willis. "Simulation study of non-covalent hybridization of carbon nanotubes by single-stranded DNA in water." Thesis, Boston College, 2010. http://hdl.handle.net/2345/1169.

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Thesis advisor: Goran Krilov<br>Solubilization and separation is an important step in utilizing both the unique mechanical and electrical properties of carbon nanotubes (CNTs). Due to different possible chiralities of CNTs, which can have drastically different electrochemical properties, it is also necessary to have a method of separation that will distinguish between these different species. Recent discovery of single-stranded DNA (ssDNA) absorption onto CNTs have shown high affinity towards forming soluble hybrids in polar solvents. The interactions between the ssDNA and CNTs as well as the

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4

Evteev, Alexander V., Elena V. Levchenko, Irina V. Belova, and Graeme E. Murch. "Molecular dynamics study of carbon diffusion in cementite." Universitätsbibliothek Leipzig, 2016. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-193325.

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5

Steele, Brad. "Non-equilibrium melting and sublimation of graphene simulated with two interatomic potentials." Scholar Commons, 2013. http://scholarcommons.usf.edu/etd/4586.

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The mechanisms of the sublimation of graphene at zero pressure and the condensation of carbon vapor is investigated by molecular dynamics (MD) simulations. The interatomic interactions are described by the Reactive Empirical Bond Order potential (REBO). It is found that graphene sublimates at a temperature of 5,200 K. At the onset of sublimation, defects that contain several pentagons and heptagons are formed, that are shown to evolve from double vacancies and stone wales defects. These defects consisting of pentagons and heptagons act as nucleation sites for the gaseous phase. The influence o

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6

Onyestyák, György, Zsolt Ötvös, Imre Kiricsi, and Lovat V. C. Rees. "The sorption dynamics of C 3 hydrocarbons over carbon nanotubes." Universitätsbibliothek Leipzig, 2016. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-194893.

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Carbon nanotubes obtained by the catalytic vapor deposition (CVD) method were purified by various procedures to obtain samples in pure and well-defined forms. The frequency response (FR) technique was employed to determine the sorption dynamics of C3-hydrocarbons in these samples. Two parallel sorption processes were found, characterized by different sorption capacities and time constants and were assigned to sorption on the convex and concave surfaces of the carbon tubes, respectively. Over a carbon nanotube sample at low coverage the mass transport is little influenced by the different chemi

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7

Onyestyák, György, Zsolt Ötvös, Jozsef Valyon, Imre Kiricsi, and Lovat V. C. Rees. "The sorption dynamics of C 3 hydrocarbons over carbon nanotubes." Universitätsbibliothek Leipzig, 2016. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-196636.

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8

Tognolini, S. "TRACKING THE INTERFACE STATES DYNAMICS AT CARBON-BASED NANOSTRUCTURES ON METAL BY NON-LINEAR PHOTOEMISSION SPECTROSCOPY." Doctoral thesis, Università degli Studi di Milano, 2016. http://hdl.handle.net/2434/362868.

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After single-layer graphene isolation in 2004, the scientific community has concentrated its efforts in the investigation of single-atom thin materials, due to their unique electronic properties, not shown by their bulk counterpart. Among this promising class of materials, two-dimensional carbon-based nanostructures have encountered a growing interest in nanotechnology, due to the huge variety of potential applications in which they are involved, from optoelectronics and photonics to energy generation, storage and solar cells. For the industrial realization of these devices a comprehensive u

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9

Cavalli, D. "CARBON AND NITROGEN DYNAMICS IN SOILS AFTER REPEATED MANURE APPLICATIONS: MEASUREMENTS AND MECHANISTIC SIMULATIONS." Doctoral thesis, Università degli Studi di Milano, 2011. http://hdl.handle.net/2434/152898.

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The first part of this Ph. D. Thesis (Chapters 1 and 2) is relative to the calibration of a soil organic matter simulation model (the CN-SIM model) by applying it to an experimental data-set, using two different methodologies, in order to verify its conceptual structure and obtaining parameters to describe the partitioning of C and N within the manures. Based on the optimization results, it emerged that the low model performance could be attributed to the lack of some processes involving mineral nitrogen transformations into the soil. In order to better understand the nitrogen dynamics followi

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10

Kreier, Daniel. "Ultrafast single-electron diffraction at 100 keV and investigation of carbon-nanotube dynamics." Diss., Ludwig-Maximilians-Universität München, 2015. http://nbn-resolving.de/urn:nbn:de:bvb:19-183901.

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Time-resolved electron diffraction is a powerful tool to observe ultrafast structural dynamics in materials and molecules with atomic spatial as well as temporal resolution. Due to Coulomb repulsion, however, the use of only single-electrons or few-electrons per pulse is inevitable to reach the shortest pulse durations. Electrons have rather high scattering cross sections and thus experiments in transmission require ultrathin samples in the nanometer-range, making sample preparation very challenging. Up to now, ultrafast single-electron diffraction was only demonstrated at an electron energy o

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11

Carrasco, Barea Lorena. "Soil and vegetation carbon dynamics (stocks and fluxes) and litter decomposition in a Mediterranean non-tidal salt marsh." Doctoral thesis, Universitat de Girona, 2020. http://hdl.handle.net/10803/670976.

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Salt marshes are considered key ecosystems for climate regulation because they have a high carbon sequestration capacity. However, most studies of carbon sequestration capacity of these ecosystems have been performed in tidal salt marshes, mainly in North America, being studies from non-tidal salt marshes, such as those of the Mediterranean Basin, really scarce. In this thesis it has been analyzed the amount of carbon stored in vegetation and soil, the fluxes of carbon dioxide in vegetation and the fluxes of carbon dioxide and methane in soil, as well as the litter decomposition of the dominan

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12

Mi, Xi, and Yunfeng Shi. "On the measurement of surface diffusivity in disordered nanoporous carbon via molecular dynamics simulations." Universitätsbibliothek Leipzig, 2015. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-185894.

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Gas diffusion in nanoporous carbon includes distinct diffusion modes: surface diffusion on the pore walls and non-surface diffusion away from pore walls. We have performed molecular dynamics (MD) simulations of Ar diffusion in disordered nanoporous carbon. The main objective of this work is to separate the surface diffusion and non-surface diffusion contributions so as to comprehend their respective dependency on the porous structure and testing conditions. The nanoporous carbon sample is obtained using the quenched molecular dynamics (QMD) method. Gas flows are generated by applying a constan

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13

Sridharan, Harini. "COUPLED DYNAMICS OF HEAT TRANSFER AND FLUID FLOW IN SHEAR RHEOMETRY." University of Akron / OhioLINK, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=akron1597346164780318.

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14

Forrester, David Ian, and davidif@unimelb edu au. "Mixed-species plantations of nitrogen-fixing and non-nitrogen-fixing trees." The Australian National University. Faculty of Science, 2005. http://thesis.anu.edu.au./public/adt-ANU20050202.164252.

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Mixed-species plantations of eucalypts and acacias have the potential to improve stand productivity over that of respective monocultures through the facilitative effect of nitrogen-fixation by acacias, and increased resource capture through above- and belowground stratification. However, growth in mixed-species plantations may not be improved compared to that of monocultures when competitive interactions outweigh the effects of improved nutrient availability and resource capture. Careful selection of sites and species is therefore critical to successfully improving stand productivity using mix

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15

Koch, Juliane. "Humus Dynamics along Forest Conversion Sequences in the Lowland and Ore Mountain Region of Saxony, Germany." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2007. http://nbn-resolving.de/urn:nbn:de:swb:14-1185189101438-82589.

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Vor dem Hintergrund der steigenden CO2-Konzentration in der Atmosphäre gewinnt die Rolle des Waldes als C-Speicher zunehmend an Bedeutung. Eine besonders wichtige Funktion kommt hierbei dem Boden zu, denn Böden speichern weltweit mehr C als Vegetation und boden zusammen (Brady and Weil, 2002). Im Sinne einer nachhaltigen Waldbewirtschaftung werden in Sachsen derzeit großflächig die bestehenden Nadelforsten in naturnahe, strukturierte Laub- und Laubmischwälder umgewandelt. Ziel dieser Arbeit war es daher, baumarten- und bewirtschaftungsspezifische Effekte auf den Humus und die C-Speicherung im

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16

Smerat, Sebastian. "Ground state and dynamical properties of the finite Kondo lattice model and transport through carbon based nanodevices." Diss., lmu, 2011. http://nbn-resolving.de/urn:nbn:de:bvb:19-129416.

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17

Fugaciu, Florin. "Molekulardynamische Simulation der Stabilität und Transformation von Kohlenstoff-Nanoteilchen." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2000. http://nbn-resolving.de/urn:nbn:de:swb:14-994153395343-03649.

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Ziel der Arbeit ist die theoretische Analyse von Kohlenstoff-Clustern der Größe 100 - 500 Atome. Die experimentellen Beobachtungen sind bei dieser geringen Anzahl der Atome schwierig. Anderseits sind Kenntnisse über solche Cluster sehr wichtig, z.B. für die Keimbildung von Diamant auf Substraten, oder für die Kohlenstoff-Nanotechnologie (Fullerene, Nanotubes), oder für strukturelle Defekte in Kohlenstoff-Systemen. Es wurden gekrümmte Grenzflächen im Diamant simuliert. Zuerst mit einem empirischen Potential. Es wurde danach eine Methode entwickelt, bei der die schwach gestörten Gebiete einem em

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18

Seriani, Nicola. "First-principles simulations of the oxidation of methane and CO on platinum oxide surfaces and thin films." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2006. http://nbn-resolving.de/urn:nbn:de:swb:14-1163174398225-14223.

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The catalytic oxidation activity of platinum particles in automobile catalysts is thought to originate from the presence of highly reactive superficial oxide phases which form under oxygen-rich reaction conditions. The thermodynamic stability of platinum oxide surfaces and thin films was studied, as well as their reactivities towards oxidation of carbon compounds by means of first-principles atomistic thermodynamics calculations and molecular dynamics simulations based on density functional theory. On the Pt(111) surface the most stable superficial oxide phase is found to be a thin layer of al

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19

Voloshina, Elena, Denis Usvyat, Martin Schütz, Yuriy Dedkov, and Beate Paulus. "On the physisorption of water on graphene: a CCSD(T) study." Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2014. http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-138776.

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The electronic structure of the zero-gap two-dimensional graphene has a charge neutrality point exactly at the Fermi level that limits the practical application of this material. There are several ways to modify the Fermi-level-region of graphene, e.g. adsorption of graphene on different substrates or different molecules on its surface. In all cases the so-called dispersion or van der Waals interactions can play a crucial role in the mechanism, which describes the modification of electronic structure of graphene. The adsorption of water on graphene is not very accurately reproduced in the stan

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20

Hartmann, Steffen. "Thermo-Mechanische Charakterisierung von Grenzflächen zwischen Einwandigen Kohlenstoffnanoröhren und Metallen mittels Auszugsversuchen." Doctoral thesis, Universitätsbibliothek Chemnitz, 2016. http://nbn-resolving.de/urn:nbn:de:bsz:ch1-qucosa-197660.

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Vor dem Hintergrund zukünftiger Sensoren, basierend auf dem piezoresistiven Effekt von einwandigen Kohlenstoffnanoröhren (SWCNT), werden in dieser Arbeit umfangreiche Ergebnisse zum mechanischen Verhalten von Grenzflächen zwischen SWCNTs und edlen Metallen am Beispiel von Pd und Au präsentiert. Im Fokus steht dabei die Synergie von rechnerischen und experimentellen Methoden Molekulardynamik (MD), nanoskalige Tests und Analytik , um (1) mit guter Genauigkeit maximale Kräfte von gezogenen SWCNTs, welche in Metall eingebettet sind, vorauszuberechnen und (2) einen wertvollen Beitrag zum Verständni

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21

Bauersfeld, Sindy. "Dynamische Modellierung des Gaspfades eines Gesamt-IGCC-Kraftwerkes auf Basis des SFG-Verfahrens." Doctoral thesis, Technische Universitaet Bergakademie Freiberg Universitaetsbibliothek "Georgius Agricola", 2014. http://nbn-resolving.de/urn:nbn:de:bsz:105-qucosa-148639.

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Im Rahmen der vorliegenden Arbeit werden dynamische Modelle eines IGCC-Kraftwerkes mit CO2-Abtrennung unter Verwendung des Modellierungstools Modelica/Dymola entwickelt. Dabei liegt der Schwerpunkt auf dem Gaspfad der Gasreinigung. Es ist vorteilhaft, für verschiedene Aufgaben, Modelle mit unterschiedlicher Tiefe zu verwenden. Mit den detaillierten Modellen werden Simulationen der Teilprozesse durchgeführt. Für den Aufbau eines Gesamtsystems werden vereinfachte Modelle verwendet. Anhand des Gesamtsystems werden drei Regelkonzepte (Gleitdruckregelung, Leistungsregelung der Gasturbine, Leistungs

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22

Touzik, Andrei. "Simulation der Nanostrukturbildung in Alkali-dotierten Fullerenschichten." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2004. http://nbn-resolving.de/urn:nbn:de:swb:14-1081344263703-58568.

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This work presents theoretical background for the investigation of nanostructure formation in alkali-metal doped fullerene layers. A number of computational methods are used to describe structural transformation in the fullerene layer. They include tight-binding molecular dynamics, empirical molecular dynamics, Monte-Carlo calculations as well as other methods. The doped fullerene layers show the highest superconducting critical temperature among organic superconductors. A new electrochemical method of synthesis of potassium and rubidium fullerides has been recently developed by Professor Duns

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23

Alaghemandi, Mohammad. "Thermal Conductivity and Thermal Rectification in Carbon Nanotubes - Reverse Non-Equilibrium Molecular Dynamics Simulations." Phd thesis, 2010. http://tuprints.ulb.tu-darmstadt.de/2226/1/Thesis.pdf.

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The purpose of this research is an investigation of the thermal conductivity () and thermal rectification of carbon nanotubes as well as the different factors which have an influence on these quantities. As computational tool we have used reverse non-equilibrium molecular dynamics (RNEMD) simulations. In chapter 1 we have briefly discussed the importance of research in nanoscale science. Furthermore the motivation for this work has been explained. In chapter 2 we have investigated the thermal conductivity of single-walled and multi-walled carbon nanotubes by RNEMD as a function of the tube le

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24

Alaghemandi, Mohammad [Verfasser]. "Thermical conductivity and thermal rectification in carbon nanotubes : reverse non-equlibrium molecular dynamics simulations / eingereicht von Mohammad Alaghemandi." 2010. http://d-nb.info/1004389701/34.

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25

Yu-WeiLo and 羅友威. "The Study on Thermal Transport Behavior of Perfect and Branched Carbon Nanotubes using Non-Equilibrium Molecular Dynamics Simulations." Thesis, 2016. http://ndltd.ncl.edu.tw/handle/53700786734472509292.

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碩士<br>國立成功大學<br>機械工程學系<br>104<br>Thermal transport behavior of perfect and branched carbon nanotubes (CNTs) was investigated using non-equilibrium molecular dynamics (NEMD) simulation method. First, we introduced NEMD and reverse non-equilibrium molecular dynamics (rNEMD) simulation methods, and based testing of simulation parameters on theory of statistical mechanics. In the NEMD simulations with periodic and fixed boundary conditions for perfect CNTs, we compared our results, the relation of the length of perfect carbon nanotube and its thermal conductivity, with other literature. Furthermor

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26

Ashek-I-Ahmed and Ashek-I-Ahmed. "Spectroscopic insight into the role of surface non-diamond carbon in reaction dynamics and charge distribution of nanodiamond." Thesis, 2018. http://ndltd.ncl.edu.tw/handle/84br8j.

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博士<br>國立東華大學<br>物理學系<br>106<br>Nanodiamond (ND) refers to the diamond particles at a nanoscale level ranging from a single digit to several hundred nanometers. Unlike bulk diamond, nanodiamond is a composite of sp3/sp2 carbon structure in which the amorphous and disordered sp2 carbons populate the surface of a crystalline sp3 core lattice. Due to the production and purification process, the surface of nanodiamond contains a variety of oxidized groups such as C-O-C, C=O, OH etc. as well as some elemental contents, for example, N, H, S etc. Hydrogenation of nanodiamond is a suitable or required

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27

Chia-ShingLi and 黎加興. "The study on interfacial thermal resistance and thermal transport behavior of mass-graded carbon nanotube using non-equilibrium molecular dynamics simulation." Thesis, 2017. http://ndltd.ncl.edu.tw/handle/2anbf6.

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28

Forrester, David Ian. "Mixed-species plantations of nitrogen-fixing and non-nitrogen-fixing trees." Phd thesis, 2004. http://hdl.handle.net/1885/46988.

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Mixed-species plantations of eucalypts and acacias have the potential to improve stand productivity over that of respective monocultures through the facilitative effect of nitrogen-fixation by acacias, and increased resource capture through above- and belowground stratification. However, growth in mixed-species plantations may not be improved compared to that of monocultures when competitive interactions outweigh the effects of improved nutrient availability and resource capture. Careful selection of sites and species is therefore critical to successfully improving stand productivity using mix

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29

Santos, Rafael Alexandre Mota dos. "Effect of the Distance Between Impact Point and Hole Position and Non-Perpendicular Holes on the Impact Strength of Composite Laminates." Master's thesis, 2016. http://hdl.handle.net/10400.6/7703.

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The effect of the distance between impact point and hole position and the angle of the hole with the vertical axis was studied. In order to understand this effect, flexural tests were also performed to evaluate the bending strength of CFRP. In terms of distance of the hole, a maximum reduction of 29.7% on the bending load for a distance of 0 mm was found. This reduction was 22.3% on the impact load. In terms of angle of the hole, a maximum load reduction of 15.6% on the bending strength was found and for the impact load this value was found to be 7% for 20º. The fatigue resistance was also stu

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30

Clarkin, OWEN. "Chemical Reaction Dynamics at the Statistical Ensemble and Molecular Frame Limits." Thesis, 2012. http://hdl.handle.net/1974/7456.

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In this work, experimental and theoretical approaches are applied to the study of chemical reaction dynamics. In Chapter 2, two applications of transition state theory are presented: (1) Application of microcanonical transition state theory to determine the rate constant of dissociation of C2F3I after π∗ ← π excitation. It was found that this reaction has a very fast rate constant and thus is a promising system for testing the statistical assumption of molecular reaction dynamics. (2) A general rate constant expression for the reaction of atoms and molecules at surfaces was derived within the

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31

Sharma, Maya. "Microporous Membranes Derived using Crystallisation Induced Phase Separation in PVDF/PMMA (Polyvinylidene Fluoride/ Polymethyl Methacrylate) Blends in Presence of Multiwalled Carbon Nanotubes." Thesis, 2017. http://etd.iisc.ac.in/handle/2005/3266.

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Segmental chain dynamics in polymer blends is a very important topic, not only from a fundamental point of view but also from technological applications. Because of the difficulties in the commercialization of new polymers, industries have turned increasingly towards blending of polymers to optimise their end use (mechanical, rheological) properties. The design of tailor-made materials would be enormously facilitated by the understanding of the blending phenomena at a molecular level. The key question to address is to understand the dynamics of each component of the blend modified by blending?

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32

Sharma, Maya. "Microporous Membranes Derived using Crystallisation Induced Phase Separation in PVDF/PMMA (Polyvinylidene Fluoride/ Polymethyl Methacrylate) Blends in Presence of Multiwalled Carbon Nanotubes." Thesis, 2017. http://hdl.handle.net/2005/3266.

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Segmental chain dynamics in polymer blends is a very important topic, not only from a fundamental point of view but also from technological applications. Because of the difficulties in the commercialization of new polymers, industries have turned increasingly towards blending of polymers to optimise their end use (mechanical, rheological) properties. The design of tailor-made materials would be enormously facilitated by the understanding of the blending phenomena at a molecular level. The key question to address is to understand the dynamics of each component of the blend modified by blending?

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