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Full-Text Articles in Mechanical Engineering

Mechanical Engineering News, Georgia Southern University Oct 2021

Mechanical Engineering News, Georgia Southern University

Mechanical Engineering: News & Publications (2013-2023)

  • Viking Ax Cast by Students


Forcespun Polyvinylpyrrolidone/Copper And Polyethylene Oxide/Copper Composite Fibers And Their Use As Antibacterial Agents, Md Toukir Hasan, Ramiro Gonzalez, Ari Alexis Munoz, Luis Materon, Jason Parsons, Mataz Alcoutlabi Oct 2021

Forcespun Polyvinylpyrrolidone/Copper And Polyethylene Oxide/Copper Composite Fibers And Their Use As Antibacterial Agents, Md Toukir Hasan, Ramiro Gonzalez, Ari Alexis Munoz, Luis Materon, Jason Parsons, Mataz Alcoutlabi

Mechanical Engineering Faculty Publications

Copper nanoparticles (CuNPs) embedded in polyvinylpyrrolidone (PVP) and polyethylene oxide (PEO) fiber-matrices were prepared through centrifugal spinning of PVP/ethanol and PEO/aqueous solutions, respectively. The prime focus of the current study is to investigate the antibacterial activity of composite fibers against Escherichia coli (E. coli) and Bacillus cereus (B. cereus) bacteria. During the fiber formation, the centrifugal spinning parameters such as spinneret rotational speed, spinneret to collector distance, and relative humidity were carefully chosen to obtain long and continuous fibers. The structural and morphological analyses of both composite fibers were investigated using scanning electron microscopy, X-ray diffraction, …


Data-Based Estimation And Simulation Of Compressible Pulsating Flow With Reverse Flow Through An Orifice, Indranil Brahma, Satbir Singh Oct 2021

Data-Based Estimation And Simulation Of Compressible Pulsating Flow With Reverse Flow Through An Orifice, Indranil Brahma, Satbir Singh

Faculty Journal Articles

Highly compressible pulsating flows are often encountered in devices where knowledge of the flow rate is required but elimination of pulsations is not an option. The current work is a continuation of a previous investigation that characterized the orifice discharge coefficient Cd as a function of dimensionless groups based on pulsation characteristics. The experimental apparatus has been rebuilt in the current work to mitigate temperature and vibration problems, allowing pressure and ΔP measurements to be made very close to the test section with 159-mm of nylon tubing. Data was acquired for 77 operating conditions spanning a range of …


Selective Disinfection Based On Directional Ultraviolet Irradiation And Artificial Intelligence, Ben Zierdt, Taichu Shi, Thomas Degroat, Sam Furman, Nicholas Papas, Zachary Smoot, Hong Zhang Oct 2021

Selective Disinfection Based On Directional Ultraviolet Irradiation And Artificial Intelligence, Ben Zierdt, Taichu Shi, Thomas Degroat, Sam Furman, Nicholas Papas, Zachary Smoot, Hong Zhang

Henry M. Rowan College of Engineering Departmental Research

Ultraviolet disinfection has been proven to be effective for surface sanitation. Traditional ultraviolet disinfection systems generate omnidirectional radiation, which introduces safety concerns regarding human exposure. Large scale disinfection must be performed without humans present, which limits the time efficiency of disinfection. We propose and experimentally demonstrate a targeted ultraviolet disinfection system using a combination of robotics, lasers, and deep learning. The system uses a laser-galvo and a camera mounted on a two-axis gimbal running a custom deep learning algorithm. This allows ultraviolet radiation to be applied to any surface in the room where it is mounted, and the algorithm ensures …


Parameter Estimation And Application Of Anisotropic Yield Criteria For Cylindrical Aluminum Extrusions: Theoretical Developments And Stereodic Measurements, Farzana Yasmeen, Michael A. Sutton, Xiaomin Deng, Megan Ryan, Anthony P. Reynolds Oct 2021

Parameter Estimation And Application Of Anisotropic Yield Criteria For Cylindrical Aluminum Extrusions: Theoretical Developments And Stereodic Measurements, Farzana Yasmeen, Michael A. Sutton, Xiaomin Deng, Megan Ryan, Anthony P. Reynolds

Faculty Publications

Theoretical and experimental studies are presented to characterize the anisotropic plastic response under torsion loading of two nominally identical aluminum Al6061-T6 extruded round bars. Theoretical models are developed using isotropic (Von Mises 1913) and anisotropic (Barlat 1991) yield criteria, along with isotropic strain hardening formulae, to model post-yield behavior under simple torsion loading. For the case of simple shear loading, incremental plasticity theory is used to determine the theoretical elastic, plastic, and total shear strains. A set of experiments are performed to calibrate Barlat’s 1991 yield function. Several specimens are extracted at different orientations to the longitudinal direction of each …


A High-Pressure Shear Testing Approach To Measure Flow Stresses Near A Friction Stir Welding Tool, David Prymak, Michael Miles, Tracy W. Nelson, Fredrick Michael Oct 2021

A High-Pressure Shear Testing Approach To Measure Flow Stresses Near A Friction Stir Welding Tool, David Prymak, Michael Miles, Tracy W. Nelson, Fredrick Michael

Faculty Publications

A new approach for measuring flow stresses near a spinning friction stir welding (FSW) tool is evaluated on AA 6061-T6 plate. The test consists of plunging a cylindrical tool with a flat face into the plate at different rotational speeds, using a variety of constant vertical loads. A viscosity-based model of the shear layer created under the tool is employed to estimate local flow stresses. The flow stresses measured by this approach exhibited an inverse relationship with temperature and a positive dependence on the pressure imposed by the spinning flat-faced tool. Compared to hot compression and hot torsion results, estimated …


High-Order Deterministic Sensitivity Analysis And Uncertainty Quantification: Review And New Developments, Dan Gabriel Cacuci Oct 2021

High-Order Deterministic Sensitivity Analysis And Uncertainty Quantification: Review And New Developments, Dan Gabriel Cacuci

Faculty Publications

This work reviews the state-of-the-art methodologies for the deterministic sensitivity analysis of nonlinear systems and deterministic quantification of uncertainties induced in model responses by uncertainties in the model parameters. The need for computing high-order sensitivities is underscored by presenting an analytically solvable model of neutron scattering in a hydrogenous medium, for which all of the response’s relative sensitivities have the same absolute value of unity. It is shown that the wider the distribution of model parameters, the higher the order of sensitivities needed to achieve a desired level of accuracy in representing the response and in computing the response’s expectation, …


Mechanical Engineering News, Georgia Southern University Oct 2021

Mechanical Engineering News, Georgia Southern University

Mechanical Engineering: News & Publications (2013-2023)

  • Dr. Cesmeci Awarded $1.1 mil DOE Grant
  • Dr. Cesmeci Seeking to Student Researchers for DOE Grant


In Situ Characterization Of Tensile Behavior Of Laser Rapid Solidified Al–Si Heterogeneous Microstructures, Bingqiang Wei, Wenqian Wu, Dongyue Xie, Huai-Hsun Lien, Metin Kayitmazbatir, Amit Misra, Jian Wang Oct 2021

In Situ Characterization Of Tensile Behavior Of Laser Rapid Solidified Al–Si Heterogeneous Microstructures, Bingqiang Wei, Wenqian Wu, Dongyue Xie, Huai-Hsun Lien, Metin Kayitmazbatir, Amit Misra, Jian Wang

Department of Mechanical and Materials Engineering: Faculty Publications

Heterogeneous Al–Si microstructure comprising of sub-micron-scale Al dendrites and nanoscale Al–Si fibrous eutectic was fabricated by processing as-cast Al-20wt.%Si alloy using laser rapid solidification. In situ tension tests explored high tensile strength ( ∼ 600 MPa) and ductility ( ∼ 10%) and high strain hardening rate ( ∼ 7 GPa). Microstructural characterization revealed the plastic co[1]deformation mechanisms between soft Al dendrites and hard nanoscale Al–Si eutectic. The progression of plasticity in nanoscale Al–Si eutectic with increasing applied strain is accommodated by dislocation plasticity in the nano-Al channels and cracking Si nanofibers. The propagation of nano-cracks is suppressed by surrounding Al, …


Digitally Twinned Additive Manufacturing: Detecting Flaws In Laser Powder Bed Fusion By Combining Thermal Simulations With In-Situmeltpool Sensor Data, R Yavari, A Riensche, E Tekerek, L Jacquemetton, H Halliday, M Vandever, A Tenequer, V Perumal, A Kontsos, Z Smoqi, K Cole, P Rao Oct 2021

Digitally Twinned Additive Manufacturing: Detecting Flaws In Laser Powder Bed Fusion By Combining Thermal Simulations With In-Situmeltpool Sensor Data, R Yavari, A Riensche, E Tekerek, L Jacquemetton, H Halliday, M Vandever, A Tenequer, V Perumal, A Kontsos, Z Smoqi, K Cole, P Rao

Department of Mechanical and Materials Engineering: Faculty Publications

The goal of this research is the in-situ detection of flaw formation in metal parts made using the laser powder bed fusion (LPBF) additive manufacturing process. This is an important area of research, because, despite the considerable cost and time savings achieved, precision-driven industries, such as aerospace and biomedical, are reticent in using LPBF to make safety–critical parts due to tendency of the process to create flaws. Another emerging concern in LPBF, and additive manufacturing in general, is related to cyber security – malicious actors may tamper with the process or plant flaws inside a part to compromise its performance. …


Fischer–Tropsch Synthesis: Effect Of The Promoter’S Ionic Charge And Valence Level Energy On Activity, Mirtha Z. Leguizamón León Ribeiro, Joice C. Souza, Muthu Kumaran Gnanamani, Michela Martinelli, Gabriel F. Upton, Gary Jacobs, Mauro C. Ribeiro Oct 2021

Fischer–Tropsch Synthesis: Effect Of The Promoter’S Ionic Charge And Valence Level Energy On Activity, Mirtha Z. Leguizamón León Ribeiro, Joice C. Souza, Muthu Kumaran Gnanamani, Michela Martinelli, Gabriel F. Upton, Gary Jacobs, Mauro C. Ribeiro

Center for Applied Energy Research Faculty and Staff Publications

In this contribution, we examine the effect of the promoter´s ionic charge and valence orbital energy on the catalytic activity of Fe-based catalysts, based on in situ synchrotron X-ray powder diffraction (SXRPD), temperature-programmed-based techniques (TPR, TPD, CO-TP carburization), and Fischer–Tropsch synthesis catalytic testing studies. We compared the promoting effects of K (a known promoter for longer-chained products) with Ba, which has a similar ionic radius but has double the ionic charge. Despite being partially “buried” in a crystalline BaCO3 phase, the carburization of the Ba-promoted catalyst was more effective than that of K; this was primarily due to its …


Fully-Developed Fire Temperature In A Compartment With Varying Wood Fuel Loads, Keisuke Himoto, Masaki Noaki, Ken Matsuyama Oct 2021

Fully-Developed Fire Temperature In A Compartment With Varying Wood Fuel Loads, Keisuke Himoto, Masaki Noaki, Ken Matsuyama

Progress in Scale Modeling, an International Journal

Appropriate evaluation of fire behavior during the fully-developed phase is important for assessing the risk of building collapse and fire spread to adjacent buildings. In this study, a series of model experiments was conducted to investigate the fire behavior in compartments with varying wood fuel loads. Under small opening conditions, the increase in the wood fuel load had no notable effect on the heat release rate (HRR), but increased the fire duration and gas temperature. In certain cases, wood surface combustion continued even after flame ejection from the opening had ended, which maintained a high gas temperature for a long …


Correlation Of Segmental Lumbar Kinematics With A Wearable Skin Strain Sensor Array, Andrew Gibbons, Paul Mcmullin, Joseph Peterson, Spencer Baker, Kelly Clingo, Ulrike H. Mitchell, David T. Fullwood, Anton E. Bowden Oct 2021

Correlation Of Segmental Lumbar Kinematics With A Wearable Skin Strain Sensor Array, Andrew Gibbons, Paul Mcmullin, Joseph Peterson, Spencer Baker, Kelly Clingo, Ulrike H. Mitchell, David T. Fullwood, Anton E. Bowden

Student Works

Introduction: Joint kinematics have been shown to be strongly diagnostic of underlying pathology in the knee, hip, shoulder, and ankle. However, the anatomical complexity of the spine has made obtaining accurate, segmental kinematics extremely challenging. Current approaches required specialized hardware (e.g., a dual x-ray system), or are highly invasive (e.g., bone pins implanted into the vertebrae). Recently, our lab has developed a wearable array of skin-mounted strain sensors that hopes to address this challenge. The purpose of the present work study was to quantify the utility of this array through comparison with real-time lumbar vertebral kinematics.

Materials and Methods: A …


Mechanical Engineering News, Georgia Southern University Oct 2021

Mechanical Engineering News, Georgia Southern University

Mechanical Engineering: News & Publications (2013-2023)

  • Undergrad Researcher to Present at National Conference


Mechanical Engineering News, Georgia Southern University Oct 2021

Mechanical Engineering News, Georgia Southern University

Mechanical Engineering: News & Publications (2013-2023)

  • ME Student to Compete on Netflix’s Baking Impossible


Optimal Tracking In Switched Systems With Free Final Time And Fixed Mode Sequence Using Approximate Dynamic Programming, Tohid Sardarmehni, Xingyong Song Oct 2021

Optimal Tracking In Switched Systems With Free Final Time And Fixed Mode Sequence Using Approximate Dynamic Programming, Tohid Sardarmehni, Xingyong Song

Mechanical Engineering Faculty Publications

Optimal tracking in switched systems with fixed mode sequence and free final time is studied in this article. In the optimal control problem formulation, the switching times and the final time are treated as parameters. For solving the optimal control problem, approximate dynamic programming (ADP) is used. The ADP solution uses an inner loop to converge to the optimal policy at each time step. In order to decrease the computational burden of the solution, a new method is introduced, which uses evolving suboptimal policies (not the optimal policies), to learn the optimal solution. The effectiveness of the proposed solutions is …


Examining Thermal Management Strategies For A Microcombustion Power Device, Bhanuprakash Reddy Guggilla, Jack Perelman Camins, Benjamin Taylor, Smitesh Bakrania Oct 2021

Examining Thermal Management Strategies For A Microcombustion Power Device, Bhanuprakash Reddy Guggilla, Jack Perelman Camins, Benjamin Taylor, Smitesh Bakrania

Henry M. Rowan College of Engineering Departmental Research

Microcombustion attracts interest with its promise of energy dense power generation for electronics. Yet, challenges remain to develop this technology further. Thermal management of heat losses is a known hurdle. Simultaneously, non-uniformities in heat release within the reaction regions also affect the device performance. Therefore a combination of thermal management strategies are necessary for further performance enhancements. Here, a bench top platinum nanoparticle based microcombustion reactor, coupled with thermoelectric generators is used. Methanol-air mixtures achieve room temperature ignition within a catalytic cartridge. In the current study, the reactor design is modified to incorporate two traditional thermal management strategies. By limiting …


On The Need To Determine Accurately The Impact Of Higher-Order Sensitivities On Model Sensitivity Analysis, Uncertainty Quantification And Best-Estimate Predictions, Dan Gabriel Cacuci Oct 2021

On The Need To Determine Accurately The Impact Of Higher-Order Sensitivities On Model Sensitivity Analysis, Uncertainty Quantification And Best-Estimate Predictions, Dan Gabriel Cacuci

Faculty Publications

This work aims at underscoring the need for the accurate quantification of the sensitivities (i.e., functional derivatives) of the results (a.k.a. “responses”) produced by large-scale computational models with respect to the models’ parameters, which are seldom known perfectly in practice. The large impact that can arise from sensitivities of order higher than first has been highlighted by the results of a third-order sensitivity and uncertainty analysis of an OECD/NEA reactor physics benchmark, which will be briefly reviewed in this work to underscore that neglecting the higher-order sensitivities causes substantial errors in predicting the expectation and variance of model responses. The …


Manufacturing: The Qualitative Study Of A Transition To A Green Facility, Brandon David Staves Oct 2021

Manufacturing: The Qualitative Study Of A Transition To A Green Facility, Brandon David Staves

Masters Theses & Specialist Projects

This qualitative study focused on answering three core questions: How have facilities reduce pollutions in regards to the quality of air, water, land, light and noise? Which Types of pollution reduction projects are more or less successful to implement? What types of pollution are facilities focusing on and why? The results of the 15 companies surveyed show a variety of projects that facilities have used to reduce pollution, it also shows that cost is a major factor in the unsuccessful projects, and that facilities are actively focused on reducing Air, Land, and Water pollution. While the data shows a variety …


The Impact Of Gemba Walks On Preventative Maintenance Productivity, Jake Donald Taylor Oct 2021

The Impact Of Gemba Walks On Preventative Maintenance Productivity, Jake Donald Taylor

Masters Theses & Specialist Projects

Gemba Walks are a tool to get management involvement in areas where the work is taking place. Gemba Walks allow individuals involved first-hand to voice and reduce waste within the process and general operations. This research measured the benefits and improvements Gemba Walks had on the availability of equipment. For example, reducing the number of events that equipment is down for maintenance and its duration to repair these events, therefore improved availability. Maintenance is a critical aspect of keeping a company running, and making improvements found during this research significantly impacted the company by creating lean improvements. The improvements focused …


Fluids Demonstrations Iii: Viscous Flow In Modified Thin Enclosures, Centrifugal Effect, Vortical Flow, And Turbulence, Said Shakerin Oct 2021

Fluids Demonstrations Iii: Viscous Flow In Modified Thin Enclosures, Centrifugal Effect, Vortical Flow, And Turbulence, Said Shakerin

All Faculty Articles - School of Engineering and Computer Science

Several new devices that demonstrate a variety of known phenomena in fluid dynamics are presented. These add on to a recent collection of demonstrations and follow the same design features as documented earlier (self-contained, easy to use, low cost). Descriptions are provided to enable replication by others, using readily available materials. The significance of each demonstration is outlined and background information on the relevant physics can be found in the cited references. The devices can be generally used in classroom lecture demonstrations, outreach activities, or other student-based projects. However, pedagogical details are left to readers' discretion, depending on the scope …


Liquid-Vapor Distributions In Evacuated Small Diameter Channels For Improved Accuracy Of Initial Conditions In Modeling Of Oscillating Heat Pipes, Travis Mayberry Oct 2021

Liquid-Vapor Distributions In Evacuated Small Diameter Channels For Improved Accuracy Of Initial Conditions In Modeling Of Oscillating Heat Pipes, Travis Mayberry

Mechanical Engineering Research Theses and Dissertations

Oscillating heat pipes, also known as pulsating heat pipes, are increasingly becoming a preferred high-performance thermal ground plane in a variety of heat spreading applications due to a number of advantages over traditional copper-water wicked heat pipes, including their lighter weight, thinner profiles, simpler fabrication, and greater variety of material and working fluid options. A major barrier to even wider adoption, however, is the lack of comprehensive analytical models to simulate their performance. A key input to first principles models simulating the fundamental physics of the devices is the initial condition of liquid and vapor segment lengths and their distribution …


Fabrication And Characterization Of Micro/Nanostructured Ceramic Device For Energy Conversion, Yun Gan Oct 2021

Fabrication And Characterization Of Micro/Nanostructured Ceramic Device For Energy Conversion, Yun Gan

Theses and Dissertations

The deteriorating climate is threatening our living habitat and arousing public awareness. To achieve the carbon neutral goal by the middle of 21st century, developing novel technologies to reduce CO2 emission or promote its capture become urgent. Among them, oxygen permeation membrane (OPM) and solid oxide cell (SOC) are two promising devices for clean energy conversion.

In chapter 1, the background of OPM and SOC are briefly introduced. Fundamental mechanism and application of phase inversion, the key process involved in fabrication of hollow fiber OPM and microtubular SOC are emphatically described. Mixed ionic and electronic conducting (MIEC) perovskites demonstrate …


Leveraging Digital Transformation To Build The Technology Of Tomorrow Using Yesterday’S Equipment, Evan Barnett Oct 2021

Leveraging Digital Transformation To Build The Technology Of Tomorrow Using Yesterday’S Equipment, Evan Barnett

Theses and Dissertations

Today’s industry sectors are filled with machines developed years ago. Healthcare, manufacturing, sustainment operations, and many others have equipment that may be reliable, but lacks certain capabilities that the newest technology delivers. The digital environment is becoming a necessity for users who want greater insights into how to improve their processes. A solution to this problem would be to purchase the newest equipment that contains robust measures to generate, collect, and analyze data. However, this solution may not be financially feasible for some and for others may sacrifice machine downtime and reliability. To combat these issues, this research focuses on …


High-Order Deterministic Sensitivity Analysis And Uncertainty Quantification: Review And New Developments, Dan Gabriel Cacuci Oct 2021

High-Order Deterministic Sensitivity Analysis And Uncertainty Quantification: Review And New Developments, Dan Gabriel Cacuci

Faculty Publications

This work reviews the state-of-the-art methodologies for the deterministic sensitivity analysis of nonlinear systems and deterministic quantification of uncertainties induced in model responses by uncertainties in the model parameters. The need for computing high-order sensitivities is underscored by presenting an analytically solvable model of neutron scattering in a hydrogenous medium, for which all of the response’s relative sensitivities have the same absolute value of unity. It is shown that the wider the distribution of model parameters, the higher the order of sensitivities needed to achieve a desired level of accuracy in representing the response and in computing the response’s expectation, …


Assessing The Feasibility Of A Belt Based Continuously Varied Transmission For Bicycles, Ethan Wicko Oct 2021

Assessing The Feasibility Of A Belt Based Continuously Varied Transmission For Bicycles, Ethan Wicko

Holster Scholar Projects

The objective of this project is to establish the feasibility of a new drivetrain that decreases maintenance and decreases rider effort compared to current widely used derailleur-based drivetrains by utilizing a belt based continuously varied transmission. With further development, this technology will make cycling more accessible by reducing the mechanical knowledge required to maintain a functional bike and facilitate bicycle riding by increasing durability and providing infinite gear ratios within that range, potentially increasing the health and quality of life for many.


Conductive Polymer Spark Gap Igniters, Miranda P. Mcconnell, Allison K. Murray, Bryan W. Boudouris, I. Emre Gunduz, Steven F. Son, George T.-C. Chiu, Jeffrey F. Rhoads Oct 2021

Conductive Polymer Spark Gap Igniters, Miranda P. Mcconnell, Allison K. Murray, Bryan W. Boudouris, I. Emre Gunduz, Steven F. Son, George T.-C. Chiu, Jeffrey F. Rhoads

Mechanical Engineering Faculty Research and Publications

Electrodes fabricated from electronically active polymers offer some benefits over those fabricated with common metals, including an appreciable resistance to corrosion and lower density. These benefits, and potentially others, manifest the advantages of using conductive polymers in lieu of metals for the mass production of ignition systems. In this work, spark gap igniters were fabricated using a potentially low-cost, roll-to-roll compatible process utilizing the doped conductive polymer polyaniline as the electrode material. Subsequently, nanothermite was printed on the spark gap igniters between the organic leads and ignited using a high voltage source to demonstrate the effectiveness of the device. All …


Development Of Acoustic Metamaterial Noise Barriers And Simultaneously Harvesting Energy Using Smart Materials, Fariha Mir Oct 2021

Development Of Acoustic Metamaterial Noise Barriers And Simultaneously Harvesting Energy Using Smart Materials, Fariha Mir

Theses and Dissertations

In our surroundings abundant energy, we either feel through component vibration or hear noises from acoustic sources. Harvesting these unused and untapped green energy in the form of ambient vibration, and acoustic sounds is an emerging field of research in recent years. Utilization of the energy within a wide band of the frequency spectrum originated from the vibrational sources alone stands as one of the most promising ways to power small electronic devices, smartphones, local structural health monitoring sensors, home, and workshop appliances. These abundant sources of green energy are available in almost all the engineering industries, workshops, manufacturing facilities, …


Development Of A Rapid Compression And Expansion Machine To Characterize The Ignition Propensity Of Multi-Component Liquid Fuels, Jonathan Joseph Morreale Oct 2021

Development Of A Rapid Compression And Expansion Machine To Characterize The Ignition Propensity Of Multi-Component Liquid Fuels, Jonathan Joseph Morreale

Theses and Dissertations

Combustion has been the primary source for energy production, whether it be from coal, oil, or natural gas, for a very long time. With increasing population and therefore an increased demand for energy, efficiency is becoming a concern. In order to increase efficiency, engines have been downsized and compression ratios have been increased. In doing so, problems have arisen such as knock and low speed pre-ignition. To better understand these problems, an investigation into how fuels ignite at higher pressures is necessary. Real fuels are comprised of multiple components that exhibit significant variations in their own physical and chemical characteristics. …


Searching Extreme Mechanical Properties Using Active Machine Learning And Density Functional Theory, Joshua Ojih Oct 2021

Searching Extreme Mechanical Properties Using Active Machine Learning And Density Functional Theory, Joshua Ojih

Theses and Dissertations

Materials with extreme mechanical properties leads to future technological advancements. However, discovery of these materials is non-trivial. The use of machine learning (ML) techniques and density functional theory (DFT) calculation for structure properties prediction has helped to the discovery of novel materials over the past decade. ML techniques are highly efficient, but less accurate and density functional theory (DFT) calculation is highly accurate, but less efficient. We proposed a technique to combine ML methods and DFT calculations in discovering new materials with desired properties. This combination improves the search for materials because it combines the efficiency of ML and the …