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Mechanical and Aerospace Engineering Dissertations - Archive

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Full-Text Articles in Aerospace Engineering

Modeling And Simulation Of Contact And Impact Dynamics In Multibody Systems, Abhishek Chatterjee Aug 2019

Modeling And Simulation Of Contact And Impact Dynamics In Multibody Systems, Abhishek Chatterjee

Mechanical and Aerospace Engineering Dissertations - Archive

Contact and impact analyses are an essential part of multibody dynamic simulations. Modeling of contact and impact problems have applications in a wide variety of areas including robotics, earthquake engineering, computer graphics, and manufacturing. Collisions between objects typically take place over surfaces that are represented by a set of points in the operation space, thereby requiring multi-point contact and impact analysis. Analysis of multi-point contact and impact may lead to indeterminate (underdetermined) problems with more number of unknowns (contact forces) than equations. This work pertains to the problem of resolving multi-point contact and impact problems in multibody systems consisting of …


Numerical Simulation Of Biodiesel Synthesis In A Continuous Flow Microreactor And A Porous Media Reactor, Terdsak Neadkratoke Aug 2019

Numerical Simulation Of Biodiesel Synthesis In A Continuous Flow Microreactor And A Porous Media Reactor, Terdsak Neadkratoke

Mechanical and Aerospace Engineering Dissertations - Archive

Biodiesel has become an increasingly popular fossil fuel substitute in recent years. Constant attempts are being made to develop new technology that increases the efficiency and yield of biodiesel production units. Numerical simulation can play an integral role in evaluating new reactor designs or optimizing existing ones. Various attempts have been made to develop an accurate computational model that represents biodiesel production. Many computational models for transesterification are based on simplified kinetic models that do not include the effect of saponification. Furthermore, many models assume isothermal conditions and uniform spatial concentrations. Therefore, these models would not be appropriate for evaluating …


Predicting Crack Initiation And Early Crack Growth Behavior Of Pure Nickel Using Surface Topography Analysis, Jalal Fathi Sola Aug 2019

Predicting Crack Initiation And Early Crack Growth Behavior Of Pure Nickel Using Surface Topography Analysis, Jalal Fathi Sola

Mechanical and Aerospace Engineering Dissertations - Archive

Fatigue has long been studied as the most critical loading mode for man-made structures. Despite the advances in material behavior characterization and numerical calculation, many structures unexpectedly fail before their designed life. Most of the studies in crack initiation are solely for describing the material and failure behavior and are not capable of predicting the failure before it starts. In addition, most of the fatigue crack growth models are based on the Paris Model with some modifications, which their application is limited to long crack. This implies that finding new methods which can reliably predict material failure is very important. …


A Numerical Study Of Cavitating Flows Based On Plic-Vof Method For Arbitrary Unstructured Meshes, Dezhi Dai Aug 2019

A Numerical Study Of Cavitating Flows Based On Plic-Vof Method For Arbitrary Unstructured Meshes, Dezhi Dai

Mechanical and Aerospace Engineering Dissertations - Archive

Cavitation appears when local static pressure drops below the water vapor pressure and causes significant impacts on marine propeller blades. The Volume of Fluid (VOF) method, which is also referred to as the Transport Equation-based Model (TEM), has been extensively adopted in the cavitating flow simulations. Piecewise Linear Interface Calculation (PLIC) schemes have been extensively employed in the VOF method for interface capturing in numerical simulations of multiphase flows. Polyhedral unstructured meshes are often adopted due to their geometric flexibility and superiority in gradient calculation. Four analytical interface reconstruction algorithms in the PLIC-VOF method for arbitrary convex polyhedral cells have …


The Effect Of Controlled Nanomaterial Deposition Towards Electrodes For Microbial Fuel Cells And Electrolysis Cells, Bryan Dennis Steinhoff Aug 2019

The Effect Of Controlled Nanomaterial Deposition Towards Electrodes For Microbial Fuel Cells And Electrolysis Cells, Bryan Dennis Steinhoff

Mechanical and Aerospace Engineering Dissertations - Archive

Microbial fuel cells (MFCs) and microbial electrolysis cells (MECs) are relatively new energy harvesting technologies that utilize the bacteria in wastewater or other organic-rich aqueous media to produce either electricity or hydrogen gas, respectively. Given that MFCs and MECs are newer technologies, there has been many works over the past two decades that have provided understanding into how modifying electrode surface chemistry can improve these cells. It has been widely known that increasing the surface functional groups of MFC anodes, either chemically or thermally, causes the cell power density to increase dramatically. Since MFCs and MECs use the same anodes, …


Production Of Liquid Fuels From Natural Gas: Simulation Of Synthesis Gas And Fischer-Tropsch Reactors, Saiedeh Arabi Bolaghi May 2019

Production Of Liquid Fuels From Natural Gas: Simulation Of Synthesis Gas And Fischer-Tropsch Reactors, Saiedeh Arabi Bolaghi

Mechanical and Aerospace Engineering Dissertations - Archive

Gas to Liquid (GTL) processes chemically convert natural gas to valuable liquid hydrocarbon products. The GTL process considered in this research is comprised of three phases: 1) syngas production, 2) Fischer-Tropsch synthesis (FTS), and 3) product separation. This study focuses on the simulation and optimization of a GTL process to convert natural gas to more valuable liquid fuels. In syngas production, steam methane reforming (SMR) is typically used although it requires an external heat source due to the endothermic nature of the reaction. In addition, the SMR approach produces syngas with a hydrogen to carbon monoxide ratio that is not …


Gasdynamic Phenomena And Propulsive Performance Of Pulse Detonation Engines, James T. Pearce May 2019

Gasdynamic Phenomena And Propulsive Performance Of Pulse Detonation Engines, James T. Pearce

Mechanical and Aerospace Engineering Dissertations - Archive

The pulsed detonation engine (PDE) is an advanced propulsion system that makes use of intermittent detonations to provide thrust. In recent decades, the PDE has been at the center of various propulsion research efforts focused on practical implementation of a reliable detonation-based engine for aerospace propulsion applications. However, many design challenges remain to be solved due to the PDEs unsteady operating characteristics. In particular, the unsteady nature of the thrust chamber flow field inherent to the PDE operation makes the design of nozzles aimed at adequately expanding the burned detonation products especially difficult. In order to address this design challenge, …


Numerical And Experimental Study On Turbulence Production Of A Selected Mode Of Streamwise Vortex Interaction In Supersonic Flow, Davide Viganó May 2019

Numerical And Experimental Study On Turbulence Production Of A Selected Mode Of Streamwise Vortex Interaction In Supersonic Flow, Davide Viganó

Mechanical and Aerospace Engineering Dissertations - Archive

The development of effective mixing strategies of air/fuel mixtures in supersonic flows has been the subject of a significant body of research for the last 60 years due to the hindering effects of compressibility. Particular attention has been focused on the introduction of streamwise vortices as a way to enhance molecular mixing both in terms of added source for hydrodynamic instabilities on classical shear-layer flows as well as for transverse jet configurations, aero-ramps and hypermixers. However, a large portion of fundamental knowledge for these complex flows is still missing. This work is centered on a numerical and experimental study of …


Nonupdating Methods For The Characterization Of Nonlinear Stress-Strain And Delamination Fracture Properties Of Fiber Reinforced Composites, Bastiaan Corstiaan Van Der Vossen Dec 2018

Nonupdating Methods For The Characterization Of Nonlinear Stress-Strain And Delamination Fracture Properties Of Fiber Reinforced Composites, Bastiaan Corstiaan Van Der Vossen

Mechanical and Aerospace Engineering Dissertations - Archive

Efforts to develop strength and life prediction analysis tools for aircraft composite structures have shown a great need to understand the complexity and interaction of failure modes. Many failure models are highly sensitive to transverse nonlinear shear stress-strain and delamination fracture properties, which are notoriously hard to measure. Without proper input parameters, life predictions analyses will not be successful. The objective of this work was to accurately characterize these mechanical properties of carbon fiber reinforced polymer composites through advanced experimental methods. Full-field noncontact deformation measurements using Digital Image Correlation are used to quantify all surface strains components, enabling the design …


Evaporative Hotspot Cooling Of Microprocessors Using Electrowetting On Dielectric (Ewod), Arvind Venkatesan Dec 2018

Evaporative Hotspot Cooling Of Microprocessors Using Electrowetting On Dielectric (Ewod), Arvind Venkatesan

Mechanical and Aerospace Engineering Dissertations - Archive

The increased use of smart devices and great strides in fabrication technologies have resulted in densely packed electronics. Combined with 3D packaging, high heat uxes have become the norm. The need for advanced thermal management solutions has risen. Most devices based on their load pro le and architecture are susceptible to non-uniformities in heat uxes. These non-uniformities with very high heat uxes are known as hotspots. Mitigation of hotspots is very important for the normal functioning and long term reliability of microprocessors. Multiple attempts have been made at developing microscale thermal solutions. Most prominent among them are microchannels and heat …


Design Principles For Large Foil Bearings Based On Scaling Laws: Analyses And Experiment, Srikanth Honavara Prasad Dec 2018

Design Principles For Large Foil Bearings Based On Scaling Laws: Analyses And Experiment, Srikanth Honavara Prasad

Mechanical and Aerospace Engineering Dissertations - Archive

Gas foil bearings are used for supporting high speed turbomachinery systems. They are characterized by complex physical and thermal interactions between the lubricating fluid and the structural elements. Mathematically, the behavior of such systems is governed by nonlinear partial differential equations and pose substantial computational challenges. However, their potential applications in aerospace systems and power generation systems have renewed research and development efforts aimed at simplifying their design and analyses methods. Commercialization of gas foil bearings in Mega Watt scale applications necessitate the development of simple tools for estimating bearing design parameters such as load capacity, radial clearance, and support …


Surface Roughness Formation During Tensile Plastic Deformation Of Nickel Polycrystals, Kranthi Balusu Dec 2018

Surface Roughness Formation During Tensile Plastic Deformation Of Nickel Polycrystals, Kranthi Balusu

Mechanical and Aerospace Engineering Dissertations - Archive

Understanding the formation of surface roughness could help better diagnose a metal component’s health and could potentially help in making better microstructure design decisions. Both of these, in turn, contribute to the design of efficient structural components. In this work, the research objective is to understand the relationship between the surface microstructure (i.e., grain orientations) and the surface-height changes in nickel polycrystals undergoing small amounts of tensile plastic deformation. The secondary objective is to determine the relationship between surface height and strain localization. Primarily simulations were used, along with experimental surface roughness observations, to validate the simulation results. Discrete dislocation …


Performance Modeling And Experimental Investigations Of Rotating Detonation Engines, Andrew Ryan Mizener Dec 2018

Performance Modeling And Experimental Investigations Of Rotating Detonation Engines, Andrew Ryan Mizener

Mechanical and Aerospace Engineering Dissertations - Archive

The rotating detonation engine (RDE) is a promising propulsion concept that has the potential to offer increased thermodynamic performance in a compact package with no moving parts. A series of analytical and experimental investigations was carried out on RDEs with the joint goal of investigating swirl, torque, and a range of other design parameters of interest. The model and experimental facility were then applied to related problems with the goal of advancing the understanding of RDE applications. A flexible, low-order, semi-empirical model for a rotating detonation engine was presented. The model was formulated to be able to run broad parametric …


Direct Numerical Simulation Of Homogeneous Isotropic Turbulence - A Methodology And Applications, Sarah Moussa Hussein Dec 2018

Direct Numerical Simulation Of Homogeneous Isotropic Turbulence - A Methodology And Applications, Sarah Moussa Hussein

Mechanical and Aerospace Engineering Dissertations - Archive

Turbulence has been a topic of scientific research for years. Characterized by unorganized chaotic motion and irregular fluctuations, it persists as one of the most challenging topics in fluid mechanics despite volumes of documented research and crucial findings. This begs the question: What is turbulence and why is it so challenging? Turbulence research studies cover a wide spectrum of branches from fundamental flow propagation to different turbulence interactions. This research project investigates the simplest class of turbulent flow studies, homogeneous isotropic turbulence. In a quest to advance the fundamental understanding of turbulence physics, a direct numerical simulation tool is developed. …


Minimizing Structural Jitter In Optical Sensor Systems Using Parametric Dynamic Response Optimization, Richard Lynn Scott Dec 2018

Minimizing Structural Jitter In Optical Sensor Systems Using Parametric Dynamic Response Optimization, Richard Lynn Scott

Mechanical and Aerospace Engineering Dissertations - Archive

Deployed in manned and unmanned aircraft, military and commercial ground vehicles, and security and monitoring systems, optical sensor systems are ubiquitous. Developing an optical sensor system includes calculating image motion due to structural dynamics—hereafter, “structural jitter”—and adjusting system design to reduce structural jitter and meet requirements. The current process for adjusting the structural design to reduce structural jitter is manual, labor intensive, and driven mostly by engineering judgment. This paper proposes a well-defined optimization process that provides a more explicit approach to the structural design and likely will reduce labor as the process matures. This project focuses on employing dynamic …


Electrospinning Approach For The Improvement Of Mechanical And Dielectric Properties Of Anisotropic Nanofiber Mat By Using A Novel Fiber Alignment Technique, Blesson Isaac Dec 2018

Electrospinning Approach For The Improvement Of Mechanical And Dielectric Properties Of Anisotropic Nanofiber Mat By Using A Novel Fiber Alignment Technique, Blesson Isaac

Mechanical and Aerospace Engineering Dissertations - Archive

Many advanced applications, including aerospace, can benefit from materials with superior mechanical and dielectric properties. For these applications, most fiber alignment electrospinning research has focused on either mechanical property improvement or dielectric property improvement, but not both simultaneously. Through an improved apparatus design and system parameter optimization, this work develops an electrospinning apparatus that produces an increased electrostatic force and more tightly controlled discharged particle path to enable a more uniform distribution and higher degree of alignment in deposited electrospun material, which results in simultaneous improvement of both mechanical and dielectric properties. The current state-of-the-art in aligned electrospinning techniques are …


Foil Thrust Bearing With Pocket Grooves And Tailored Bump Stiffness Distribution For Improved Static Performance, Nguyen Thao Latray Dec 2018

Foil Thrust Bearing With Pocket Grooves And Tailored Bump Stiffness Distribution For Improved Static Performance, Nguyen Thao Latray

Mechanical and Aerospace Engineering Dissertations - Archive

Gas foil thrust bearing is one of few axial bearing options for high speed turbomachinery systems. Its advantages include low cost, light weight, generous allowance for component mis-alignment and runout. However, the bearing has low load carrying capacity comparing to other types such as rigid gas bearing and magnetic bearing. This work explores two non-traditional design aspects to improve gas foil thrust bearing’s static performance. The bearing bump foil is redesigned to tailor to the bearing pressure profile; hence induces a more uniform gas film thickness. Simulation using independent elastic foundation model predicts the new tailored bump foil thrust bearing …


Multi-Physics Design Optimization Of 2d And Advanced Heterogenous 3d Integrated Circuits, Pavan Rajmane Aug 2018

Multi-Physics Design Optimization Of 2d And Advanced Heterogenous 3d Integrated Circuits, Pavan Rajmane

Mechanical and Aerospace Engineering Dissertations - Archive

The convergence and miniaturization of computing and communications dictate building up rather than out. As planar device miniaturization continues to its ultimate limits, the complexity of circuit interconnections for 2-D devices becomes a limitation for performance and drives up power dissipation [1]. Failure analysis and its effects are major reliability concerns in electronic packaging. More accurate fatigue life prediction can be obtained after the consideration of all affecting loads on the electronic devices. In this study, an attempt is made to analyze 3 types of packages i.e. Wafer Level Chip Scale Package (WCSP), Quad Flat No-Lead (QFN) Package and 2-Die …


A Framework For Optimal Path Planning And Nonlinear Guidance For Autonomous Mobile Robots, Paul A. Quillen Aug 2018

A Framework For Optimal Path Planning And Nonlinear Guidance For Autonomous Mobile Robots, Paul A. Quillen

Mechanical and Aerospace Engineering Dissertations - Archive

The purpose of this research is to investigate methods and technology for enhancing autonomous capabilities for mobile robots. The measures of autonomy which are specifically covered in this dissertation pertain to a mobile robot’s ability to make decisions and act, in other words guidance and control. This dissertation puts forth a framework using optimal path planning and nonlinear guidance techniques to address these matters. The path plans are synthesized using a numerical navigation function algorithm that will form its potential contour levels based on the “minimum control effort” of the system. Additionally, extensions of the path planning algorithm in the …


Numerical And Experimental Study Of Single Phase And Multiphase Droplet Dynamics On Electrowetting-On-Dielectrode Digital Micro-Fluidics, Mun Mun Nahar Aug 2018

Numerical And Experimental Study Of Single Phase And Multiphase Droplet Dynamics On Electrowetting-On-Dielectrode Digital Micro-Fluidics, Mun Mun Nahar

Mechanical and Aerospace Engineering Dissertations - Archive

In the recent years, significant efforts have been devoted to the development of droplet based lab-on-a-chip devices of which advantages include being programmable and reconfigurable. Among various droplet flow based microsystems [1-5], electrowetting on dielectric (EWOD) digital microfluidics has many advantages, such as rapid switching response, no joule heating, no need for moving parts like pumps and valves, and most importantly low power requirement [6]. Basic droplet handling techniques - droplet dispensing, transporting, merging and splitting - can be done by sequentially activating and deactivating specific electrodes, which allows to address each droplet individually and to perform various unit processes …


A Multiphysics Study Of Interfacial Properties Of 3d Printed Filaments, Alireza Rezaee Aug 2018

A Multiphysics Study Of Interfacial Properties Of 3d Printed Filaments, Alireza Rezaee

Mechanical and Aerospace Engineering Dissertations - Archive

Fused Deposition Modeling has become the most popular 3-D printing method over the last decade. Due to its potential to save time, cost and, labor, there is a great deal of interest to use this technique for production of functional load carrying parts and assemblies in bio-medical, automotive, aerospace, and oil and gas industries. In general, materials used in FDM process are isotropic; however, parts printed using FDM process show anisotropic mechanical properties with inconsistent properties in the transverse direction to the filaments’ cross-section. This anisotropic behavior is due to the fabrication process, and the inconsistency in the transverse mechanical …


Characterizing Contamination To Expand Ashrae Envelope In Airside Economization And Thermal And Reliability In Immersion Cooling Of Data Centers, Jimil Manojbhai Shah Aug 2018

Characterizing Contamination To Expand Ashrae Envelope In Airside Economization And Thermal And Reliability In Immersion Cooling Of Data Centers, Jimil Manojbhai Shah

Mechanical and Aerospace Engineering Dissertations - Archive

The Datacom facility which comprises rooms or closets used for communication, computers/servers or electronic equipment requires cooling unit which consumes 31% (23% HVAC cooling + 8% HVAC fans) of overall energy. The ASHRAE TC9.9 subcommittee, on Mission Critical Facilities, Data Centers, Technology Spaces, and Electronic Equipment, has suited the data center’s executives by permitting brief period outings of the environmental conditions outside the prescribed temperature-humidity range, into passable extents A1-A3. To comprehend the expanding server densities and the required cooling vitality costs, data center operators are falling back on cost cutting measures. For instance, they are not firmly controlling the …


Investigation Of Thermo-Physical Property Enhancement Mechanism Of Molten Salt Nano-Eutectic Via Nanostructural Change And Polyalphaolefin Nanofluid Via In Situ Formation Of Superstructures, Zahra Pournorouz Aug 2018

Investigation Of Thermo-Physical Property Enhancement Mechanism Of Molten Salt Nano-Eutectic Via Nanostructural Change And Polyalphaolefin Nanofluid Via In Situ Formation Of Superstructures, Zahra Pournorouz

Mechanical and Aerospace Engineering Dissertations - Archive

For many years, scientists enhanced the specific heat capacity of molten salt nanofluids by dispersing only minute concentrations of different nanoparticles (e.g., 1 wt.%). While the specific heat capacity for molten salts was enhanced in many types of research, other engineering fluids (i.e., water, ethylene glycol, oil) showed decreased specific heat capacity with doping the nanoparticles. Recently, researchers discovered that a unique nanostructure formed by molten salt molecules, which were doped and interacted with nanoparticles, were the reason for enhanced specific heat capacity. Therefore, the enhanced specific heat capacity only happens for molten salts rather than other fluids that may …


Wireless Antenna Sensors For Boiler Condition Monitoring, Franck Tchafa Aug 2018

Wireless Antenna Sensors For Boiler Condition Monitoring, Franck Tchafa

Mechanical and Aerospace Engineering Dissertations - Archive

Structural Health Monitoring (SHM) is a vital technology that implements real-time condition monitoring or damage detection mechanisms for the safety assurance of structural systems such as power stations, aircrafts, bridges, dams, buildings, large machinery, and more. Without proper and timely maintenance, mechanical systems are prone to failures since they experience detrimental factors such as harsh environments, excessive loads, and vibrations. Several sensing technologies exist for SHM applications. Patch antennas are among the list of these technologies, and they are an attractive choice due to their compact size, light weight, ease of manufacturing, and low fabrication cost. Patch antennas have been …


Inverse Analysis Of Heat Generating Body For Safety Applications, Sandeep Patil Aug 2018

Inverse Analysis Of Heat Generating Body For Safety Applications, Sandeep Patil

Mechanical and Aerospace Engineering Dissertations - Archive

Inverse thermal analysis and its applications have been applied to numerous fields of science and engineering. Historically during the 1950's and early 1960's, space programs played a significant role in the advancement of solution techniques for Inverse Heat transfer Problems(IHTP). It was applied to measure the surface temperature of thermal shield of a space vehicle during its re-entry into atmosphere. Inverse analysis was also used in the estimation of thermo-physical properties of the shield at high operating temperatures. Besides thermal application, inverse technique was also used in other engineering applications such as estimation of alloy specification, design of a shape …


Optimization Of Board Level Reliability Of Microelectronic Packages And Modules, Alok Kumar Lohia Aug 2018

Optimization Of Board Level Reliability Of Microelectronic Packages And Modules, Alok Kumar Lohia

Mechanical and Aerospace Engineering Dissertations - Archive

Thermo-mechanical reliability estimation of electronic packages and modules provides an opportunity to predict the function life of semiconductor devices. The problem complexity lies in the fact that there are variety of electronic packages with different form factors, materials and manufacturing technology for various applications. The custom PCB ranges from very thin for portable application to very thick for power application. Despite conventional understanding and prior studies, some of the failures were not explained. This study reviews three failure problems for QFN, WCSP and BGA packages by characterizing the properties of custom PCB materials by layer removal process. Due to layup …


Experimental Investigation Of Fischer-Tropsch Synthesis With A Modified Catalyst Support, Pawarat Bootpakdeetam May 2018

Experimental Investigation Of Fischer-Tropsch Synthesis With A Modified Catalyst Support, Pawarat Bootpakdeetam

Mechanical and Aerospace Engineering Dissertations - Archive

Energy demand has been rapidly increasing in the last 30 years due to the population growth and high demand by industries. However, as natural energy sources are limited, they cannot meet this increased energy demand. Therefore, alternative energies have become an option to sustain current and future energy demands. One promising and reliable alternative energy is the Fischer-Tropsch synthesis (FTS), which is a gas-to-liquid (GTL) technology that converts syngas from a low-value feedstock, for example, from coal, biomass, or natural gas, into a high-value liquid hydrocarbon. In addition, FTS is a highly exothermic catalytic reaction that requires careful thermal management …


Reconfigurable Electrochemical Biosensor Enabled By Digital Microfluidic Devices, Ali Farzbod May 2018

Reconfigurable Electrochemical Biosensor Enabled By Digital Microfluidic Devices, Ali Farzbod

Mechanical and Aerospace Engineering Dissertations - Archive

The increasing demand for improving the health care quality in developed countries with synchronous advances in the microfabrication of CMOS devices results in the emergence of the Lab-on-a-chip (LOC) field. The ultimate goal of LOC's is to achieve the complete integration of biomedical protocols, such as sample pre-processing and separation and analysis of biosamples on a chip. Electrowetting on dielectric (EWOD) as a distinctive digital microfluidic (DMF) is capable of manipulating droplets less than a microliter along the electrode arrays by applying AC voltages. EWOD chips, as microfluidic platforms, are inherently electrical and do not have to deal with problems …


A Two Stage Event Based Data Driven Controller For Improved Grasping Of An Artificial Hand, Christopher Abrego May 2018

A Two Stage Event Based Data Driven Controller For Improved Grasping Of An Artificial Hand, Christopher Abrego

Mechanical and Aerospace Engineering Dissertations - Archive

The human hand is one of the greatest (if not the greatest) tool known to mankind for grasping objects. So much so, that researchers have been investigating the development of artificial biomimetic hands in an effort to mimic their functionality and dexterity with the indent to apply the technology to various robotic platforms; ranging from end effectors for industrial pick-and-place robotics, to upper-limb prosthetics, to humanoids. There are certain features that make this endeavor challenging such as the mechanical design, actuation and sensorization, and functionality as well as the interaction from both the view point of interacting with an end …


A New Adaptive Multiscale Approach For The Dynamic Modeling And Simulation Of Biomolecular Systems, Ashley Chase Guy May 2018

A New Adaptive Multiscale Approach For The Dynamic Modeling And Simulation Of Biomolecular Systems, Ashley Chase Guy

Mechanical and Aerospace Engineering Dissertations - Archive

This dissertation presents three developments in the simulation of sub-micron dynamical systems. First, a new thermostat formulation is shown to strictly enforce the constant temperature constraint necessary in many thermodynamic ensembles. This formulation also allows the system to quickly evolve to a low-potential state. Next, this new thermostat formulation is leveraged to extend a continuum-regime multiscale formulation to the atomistic regime allowing for equivalent time histories to be generated in significantly less computation time. Finally, an adaptive multiscale formulation allows for potential forces with time varying magnitudes to contribute to the overall dynamics similarly resulting in equivalent time histories in …