Engineering Commons^™

Experimentally Validated 3d Md Model For Afm-Based Tip-Based Nanomanufacturing, Rapeepan Promyoo

Open Access Dissertations

In order to control AFM-based TBN to produce precise nano-geometry efficiently, there is a need to conduct a more focused study of the effects of different parameters, such as feed, speed, and depth of cut on the process performance and outcome. This is achieved by experimentally validating a MD simulation model of nanomachining, and using it to conduct parametric studies to guide AFM-based TBN. A 3D MD model with a larger domain size was developed and used to gain a unique insight into the nanoindentation and nanoscratching processes such as the effect of tip speed (e.g. effect of tip speed …

An Experimental And Computational Investigation Of The Mechanical, Structural, And Hydrothermal Properties Of Mesoporous Materials, Dayton Gage Kizzire

MSU Graduate Theses

Periodic mesoporous materials have tunable pore sizes and high surface to volume ratios. Some of the most anticipated applications are those that call for energy harvesting in extreme environments, and these materials have a great structural stability to withstand the harsh conditions. In this work, the structural properties of mesoporous materials SBA-15 silica and Al-SBA-15 aluminosilica have been investigated by pressure dependent in situ small angle x-ray scattering (SAXS) using a diamond anvil cell (DAC) up to ~12 GPa in pressure. Hydrothermal measurements were also made in this manner to near supercritical water/steam conditions (to 255 °C and ~ 114 …

Lignin-Based Li-Ion Anode Materials Synthesized From Low-Cost Renewable Resources, Nicholas William Mcnutt

Doctoral Dissertations

In today’s world, the demand for novel methods of energy storage is increasing rapidly, particularly with the rise of portable electronic devices, electric vehicles, and the personal consumption and storage of solar energy. While other technologies have arguably improved at a rate that is exponential in accordance with Moore’s law, battery technology has lagged behind largely due to the difficulty in devising new electric storage systems that are simultaneously high performing, inexpensive, and safe.

In order to tackle these challenges, novel Li-ion battery anodes have been developed at Oak Ridge National Laboratory that are made from lignin, a low-cost, renewable …

Non-Schmid Effects And Criteria For Dislocation Nucleation On Different Slip Systems At Grain Boundaries, Richard Durtschi Wyman

Theses and Dissertations

Criteria for grain boundary dislocation nucleation are developed. A bicrystal containing two grain boundaries is placed under varying triaxial stress states using molecular dynamics. The local resolved shear, normal, and co-slip stresses needed for grain boundary dislocation nucleation are found. A framework is developed to detect the slip system grain boundary dislocation nucleation occurs on. A survey of the different ways grain boundary dislocation nucleation occurs in the sample shows a single grain boundary can nucleate dislocations in a rich variety of ways. Using the nucleation system and resolved stress values, criteria for grain boundary dislocation nucleation on different slip …

Nanoscale Phonon Thermal Conductivity Via Molecular Dynamics, Jonathan M. Dunn

Open Access Theses

Molecular dynamics (MD) simulations provide a useful and simple means of calculating the nanoscale thermal properties of materials, which requires special analysis since the thermal properties of materials change when their dimensions reach the nanoscale. In this research, MD is used to investigate the nanoscale phonon thermal transport of materials that are attracting much interest in the areas of materials science and nuclear physics. In order to evaluate two distinct methods of calculating the thermal conductivity of materials using MD, the simulation methods are first applied to Si. Once an understanding of each simulation method is established, they are then …