Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
Results
Showing 1 to 11 of 11 for “"charge density distribution"”.
-
Surface discharge dynamics: theory, experiment and simulation
… in electrical generation, transmission and distribution is widespread. However, the accumulation of charge on the insulator surface has proved to be one of the major factors contributing to system failures. This research work is aimed at studying the dynamics of surface discharge in theory, …
-
Nanomechanics of cartilage extracellular matrix macromolecules
… and the different local z-dependent charge density distribution. The addition of Ca2+, at physiological-like 2 mM concentration, significantly affects cartilage shear by its electrostatic screening and binding effects. Marked aggrecan self-adhesion upon separation was discovered after …
-
Modeling and measurement of intermolecular interaction forces between cartilage ECM macromolecules
… It is composed of a core protein with highly charged, densely packed glycosaminoglycan (GAG) side chains, which are responsible for [approximately] 50% of the equilibrium compressive stiffness of the tissue. Using atomic force microscopy (AFM) and high resolution force spectroscopy (HRFS), it …
-
Use of Rheology to Assess Structures in Polymer Nanocomposites
… the importance of polymer matrix relaxation time distribution and how it can be used to detect solid-like behavior via rheological technique. It was also demonstrated that linear and nonlinear melt-state rheological responses of nanocomposites would be significantly impacted by nanofiller surface …
-
Improving supervised machine learning for materials science
… to use graph neural networks to predict charge density distribution of materials. The machine learning models developed in this thesis not only deepen human understanding of where and how machine learning can be used to facilitate materials development, but also lead to the discovery of …
-
Relacja między strukturą a aktywnością biologiczną kompleksów wybranych metali z tioamidami, potencjalnych leków terapii antynowotworowej
W ramach prowadzonych badań otrzymano nowe kompleksy trifenylocyny z tioamidami, które scharakteryzowano różnymi metodami analitycznymi. Rozwiązano i udokładniono struktury 15 nowych kompleksów o udowodnionej aktywności antynowotworowej i wskazano czynniki mogące mieć na nią wpływ. Dodatkowo …
-
The role of topological defects and textures in the kinetics of phase ordering
… correlation function, structure factor, energy density, and number densities of topological defects are computed. By comparing the growth laws for the characteristic length scales extracted from the order-parameter correlations and from the total number of topological defects in the system, it …
-
S=N versus S+-N-
… in terms of their experimental electron density distribution: Sulfurdiimide S(NtBu)2 (I), sulfurtriimide S(NtBu)3 (II), methyl(diimido)sulfinic acid H(NtBu)2SMe (III) and methylene-bis(triimido)sulfonic acid CH2{S(NtBu)2(HNtBu)}2 (IV). The electron density was determined by multipole …
-
Energetics Calculation of {10-12} Twin Nucleation and Growth in Magnesium and Alloys using Density Functional Theory and Atomistic Simulation
… using molecular dynamics (MD) simulations and Density Functional Theory (DFT) calculation for Mg and its alloys. For MD simulations, the embedded atom method (EAM) potential and modified embedded atom method (MEAM) potentials are used. All simulations are conducted with perfect single crystals …
-
Thermomechanical properties of novel lanthanum zirconate based thermal barrier coatings - an integrated experimental and modeling study
… conductivity, coefficient of thermal expansion, density, hardness, Young’s modulus, bond strength, and erosion resistance. The durability of the coatings in various thermal and mechanical conditions is also investigated, including furnace cycling test, thermal gradient mechanical fatigue test, …