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Development Of Interatomic Potential Of High Entropy Diborides With Artificial Intelligence Approach To Simulate The Thermo-Mechanical Properties, Nur Aziz Octoviawan
Development Of Interatomic Potential Of High Entropy Diborides With Artificial Intelligence Approach To Simulate The Thermo-Mechanical Properties, Nur Aziz Octoviawan
MSU Graduate Theses
The interatomic potentials designed for binary/high entropy diborides and ultra-high temperature composites (UHTC) have been developed through the implementation of deep neural network (DNN) algorithms. These algorithms employed two different approaches and corresponding codes; 1) strictly local & invariant scalar-based descriptors as implemented in the DEEPMD code and 2) equivariant tensor-based descriptors as included in the ALLEGRO code. The samples for training and validation sets of the forces, energy, and virial data were obtained from the ab-initio molecular dynamics (AIMD) simulations and Density Functional Theory (DFT) calculations, including the simulation data from the ultra-high temperature region (> 2000K). The study …
Machine Learning Strategies For Potential Development In High-Entropy Driven Nickel-Based Superalloys, Marium Mostafiz Mou
Machine Learning Strategies For Potential Development In High-Entropy Driven Nickel-Based Superalloys, Marium Mostafiz Mou
MSU Graduate Theses
In this study, I developed Deep Learning interatomic potentials to model a multi-phase and multi-component system of Ni-based Superalloys. The system has up to three major phase constituents, namely Gamma, Gamma Prime, and Transition-metal rich Carbide. I utilized invariant scalar-based and/or equivariant, tensor-based neural network (NN) approach as implemented in DEEPMD, NEQUIP/ALLEGRO codes, respectively, and Moment Tensor Potential (MTP). For the training and validation sets, I employed the ab-initio molecular dynamics (AIMD) trajectory results and ground state DFT calculations, including the energy, force, and virial database from highly diverse compositions, temperatures, and pressures following a “High Entropy Strategy.” The Deep …
Evaluation Of Different Machine Learning, Deep Learning And Text Processing Techniques For Hate Speech Detection, Nabil Shawkat
Evaluation Of Different Machine Learning, Deep Learning And Text Processing Techniques For Hate Speech Detection, Nabil Shawkat
MSU Graduate Theses
Social media has become a domain that involves a lot of hate speech. Some users feel entitled to engage in abusive conversations by sending abusive messages, tweets, or photos to other users. It is critical to detect hate speech and prevent innocent users from becoming victims. In this study, I explore the effectiveness and performance of various machine learning methods employing text processing techniques to create a robust system for hate speech identification. I assess the performance of Naïve Bayes, Support Vector Machines, Decision Trees, Random Forests, Logistic Regression, and K Nearest Neighbors using three distinct datasets sourced from social …
Detecting User Emotions From Audio Conversations With The Smart Assistants, Sunanda Guha
Detecting User Emotions From Audio Conversations With The Smart Assistants, Sunanda Guha
MSU Graduate Theses
With the proliferation of smart home devices like Google Home or Amazon Alexa, significant research endeavors are being carried out to improve the user experience while interacting with these smart assistants. One such dimension in this endeavor is ongoing research on successful emotion detection from short voice commands used in smart home environment. Besides facial expression and body language, etc., speech plays a pivotal role in the classification of emotions when it comes to smart home application. Upon successful implementation of accurate emotion recognition, the smart devices will be able to intelligently and empathetically suggest appropriate actions based on the …
Speaker Encoding For Zero-Shot Speech Synthesis, Tristin W. Cory
Speaker Encoding For Zero-Shot Speech Synthesis, Tristin W. Cory
MSU Graduate Theses
Spoken communication, for many, is an essential part of everyday life. Some individuals can lose or not be born with the ability to speak. To function on a day-to-day basis, these individuals find other ways of communication. Adaptive speech synthesis is one of those ways. It recreates a user’s previous voice or creates a voice that blends with their regional dialect. Current adaptive speech synthesis techniques that achieve human-like speech require thirty minutes, to a few hours of high-quality audio recordings of a target speaker. This amount of recorded audio is not commonly possessed by people in need of a …
Characterization Of Nanoparticles Using Inductively-Coupled Plasma Mass Spectrometry, Jabez D. Campbell
Characterization Of Nanoparticles Using Inductively-Coupled Plasma Mass Spectrometry, Jabez D. Campbell
MSU Graduate Theses
Nanomaterials are a relatively new class of materials that have many applications which span a wide host of fields from medical products to consumer products. The possible compositions and forms of nanomaterials are just as varied as the applications. Therefore, a versatile characterization method is needed for researchers and regulators alike to ensure nanomaterials are properly used. Single Particle Inductively Coupled Plasma Mass Spectrometry (SP-ICP-MS) is a functional method that could fill the characterization need in the nanomaterial research field. Using data from both SP-ICP-MS tests and data from literature established characterization methods, the viability of making SP-ICP-MS the standard …
Simulation And Fabrication Of All Oxide-Based Ito/Tio2/Cuo/Au Heterostructure For Solar Cell Applications, Sajal Islam
Simulation And Fabrication Of All Oxide-Based Ito/Tio2/Cuo/Au Heterostructure For Solar Cell Applications, Sajal Islam
MSU Graduate Theses
Oxide heterostructures have drawn great attention lately, due to their environment-friendly properties and potential applications in optoelectronic devices. In this work, a simulation study of a heterojunction solar cell was performed with SCAPS (a solar cell simulator) using TiO2 as an n-type and CuO as a p-type layer. The thickness and the dopant-dependent simulations have shown that the solar cell operates at a maximum efficiency of 19.2% when the thickness of the TiO2/CuO layers is chosen 1.4µm/1.2µm compared to the 11.5% efficiency when FTO is replaced with ITO. An indium-doped tin oxide (ITO) vs fluorine-doped tin oxide (FTO) comparison study …
Pulsed Laser Annealing On The Optoelectronic Properties Of Zno Thin Films, Md Abu Zobair
Pulsed Laser Annealing On The Optoelectronic Properties Of Zno Thin Films, Md Abu Zobair
MSU Graduate Theses
ZnO thin films have attracted great attention recently due to their unique electronic and optical properties. However, for proper implementation of ZnO in electronic devices it is necessary to understand the role of native point defects present inside the material as these wide bandgap semiconductors are inherently n-type due to oxygen vacancies. The objective is to control the electronic and optical properties of ZnO thin films through pulsed laser annealing (PLA). Thin films of ZnO have been grown on different substrates using pulsed laser deposition. Then PLA of the films are done by changing laser parameters (energy, frequency, pulse width, …
Development Of Eam And Rf-Meam Interatomic Potential For Zirconium Diboride, Bikash Timalsina
Development Of Eam And Rf-Meam Interatomic Potential For Zirconium Diboride, Bikash Timalsina
MSU Graduate Theses
Embedded Atom Method (EAM) and Modified-EAM (MEAM) interatomic potentials were developed for zirconium diboride (ZrB2). The EAM and “Reference Free” (RF) version of the Modified Embedded Atom Method (RFMEAM) potentials have been fitted by utilizing Density Functional Theory (DFT)-based datasets including lattice deformations and high-temperature ab-initio molecular dynamics (AIMD) simulation results. The occupancies of phonons for acoustic phonon modes from the density functional theory calculation shows that these modes of vibration, mostly due to heavier mass element (Zr), which occur below 8.711 THz, while a slight underestimation to that of DFT calculation predicted by EAM below 8.439 THz …
Development Of A Laser-Assisted Chemical Vapor Deposition (Cvd) Technique To Grow Carbon-Based Materials, Abiodun Ademola Odusanya
Development Of A Laser-Assisted Chemical Vapor Deposition (Cvd) Technique To Grow Carbon-Based Materials, Abiodun Ademola Odusanya
MSU Graduate Theses
Carbon-based materials (CBMs) including graphene, carbon nanotubes (CNT), highly ordered pyrolytic graphite (HOPG), and pyrolytic carbon (PyC) have gained so much attention in research in recent years because of their unique electronic, optical, thermal, and mechanical properties. CBMs are relatively very stable and have minimal environmental footprint. Various techniques such as mechanical exfoliation, pulsed laser deposition, and chemical vapor deposition (CVD) have been used to grow CBMs and among them thermal CVD is the most common. This study aims to explore ways of reducing the energy requirement to produce CBMs, and for that, a novel pulsed laser-assisted CVD technique had …
Design, Discovery, And Characterization Of Single Crystals Of A Topological Semimetal Using A Self-Flux Method, Sudha Krishnan
Design, Discovery, And Characterization Of Single Crystals Of A Topological Semimetal Using A Self-Flux Method, Sudha Krishnan
MSU Graduate Theses
Realization of topological semimetals in the recent past show that ternary intermetallics can exhibit topological phases. This discovery initiated the quest for this novel research. There is a crucial need to discover new materials that manifest these phases for a better understanding of their behavior to utilize them in device technology. Also, Bi compounds have attracted much attention as candidates for topological materials and topological superconductors. In this context, synthesis and characterization of single crystals of a layered transition metal pnictide SmMnBi2, a potential Dirac topological semimetal candidate, is reported. A flux method was utilized to synthesize single crystals of …
Assessing Grassed Waterway Implementation Using Acpf And Swat Models, Kirsten Schaefer
Assessing Grassed Waterway Implementation Using Acpf And Swat Models, Kirsten Schaefer
MSU Graduate Theses
Agriculture is the most significant contributor of nonpoint source pollutants in US waterways, with sediment being the most prevalent cause of impairments. Sediment loss mitigation occurs through Best Management Practices (BMPs), such as grassed waterways. Federal and state agencies incentivize the implementation of BMPs through cost-share programs for farmers. The investment of public funds has increased pressure to demonstrate the effectiveness and value of individual projects, necessitating the development of strategies for prioritizing projects based on the sensitivity of sites to sediment erosion and optimal locations for implementation. This study has three primary objectives: (i) document existing locations of grassed …
Raman Spectroscopic Investigation Of The Speciation Of Uranyl (Vi) And Thorium (Iv) Ions In Chloride-Bearing Aqueous Solutions Under Hydrothermal Conditions, Nadib Akram
MSU Graduate Theses
Raman spectra were acquired for a uranyl chloride aqueous solution at temperatures ranging from 25°C to 500°C at the chloride concentration of 6M and uranium (vi) concentration of 0.05M. The measurements were taken by sealing the sample in a hydrothermal diamond anvil cell (HDAC) which enabled spectra acquisition at non-ambient conditions. The pressure inside the cell was measured by estimating the liquid-vapor homogenization temperature (TH) and using the isochoric equation of state diagram of water. The acquired spectra were then fitted to determine the speciation distribution of the various uranyl chloride species for the mentioned concentration. The developed …
Kinetic Monte Carlo Investigations Involving Atomic Layer Deposition Of Metal-Oxide Thinfilms, David Tyler Magness
Kinetic Monte Carlo Investigations Involving Atomic Layer Deposition Of Metal-Oxide Thinfilms, David Tyler Magness
MSU Graduate Theses
Atomic Layer Deposition is a method of manufacturing thin film materials. Metal-oxides such as zinc-oxide and aluminum-oxide are particularly interesting candidates for use in microelectronic devices such as tunnel junction barriers, transistors, Schottky diodes, and more. By adopting a 3D Kinetic Monte Carlo model capable of simulating ZnO deposition, the effect of parameters including deposition temperature, chamber pressure, and composition of the initial substrate at the beginning of deposition can be investigated. This code generates two random numbers: One is used to select a chemical reaction to occur from a list of all possible reactions and the second is used …
Synthesis Of Novel Coo/Mnfe2o4 Heterostructured Nanoparticles And The Effects Of Variable Size And Extent Of Overgrowth On Their Magnetic Properties, Mohammad Tauhidul Islam
Synthesis Of Novel Coo/Mnfe2o4 Heterostructured Nanoparticles And The Effects Of Variable Size And Extent Of Overgrowth On Their Magnetic Properties, Mohammad Tauhidul Islam
MSU Graduate Theses
A combination of thermal decomposition and surfactant-assisted synthesis route was utilized to synthesize novel CoO/MnFe2O4 heterostructured nanoparticles. Four samples of varying CoO core size were synthesized with variable extent of overgrowth phase. XRD, XPS, SEM and TEM data show evidence of MnFe2O4 spinel phase overgrowth on CoO rock-salt structured nanoparticles. XPS and magnetic data reveal partial oxidation and formation of Co3O4 phase on 7 nm and 19 nm size CoO-based nanoparticles. The remaining samples having 22 nm and 34 nm dimensions show a higher percentage of FiM materials overgrowth on the …
Development Of A Cvd Assisted Pld System For Growing Novel Materials, Sinjan Majumder
Development Of A Cvd Assisted Pld System For Growing Novel Materials, Sinjan Majumder
MSU Graduate Theses
The fundamental step for development of novel materials like semiconductors involves stacking of layers of thin films of materials with desired properties on a particular substrate. In order to study the properties of these materials for research purposes in the laboratory, development of a clean fabrication technique is essential. PLD is a technique employed for growing thin films using laser ablation of a target material. CVD is an alternate method used to deposit solid materials from a gaseous phase. However, combining these two techniques can enhance plume, gas and laser interaction to facilitate the growth of novel materials with new …
The Structural And Magnetic Properties Of Nio/Mn(Ni)-Oxide Magnetic Heterostructured Nanocrystals Synthesized Under Varying Ph Values, Abdullah Al Shafe
The Structural And Magnetic Properties Of Nio/Mn(Ni)-Oxide Magnetic Heterostructured Nanocrystals Synthesized Under Varying Ph Values, Abdullah Al Shafe
MSU Graduate Theses
The role of pH on the structural, morphological, and magnetic properties of hydrothermally synthesized NiO-based magnetic heterostructured nanocrystals (MHNCs) is investigated. The NiO nanocrystals were synthesized using a two-step thermal decomposition process whereas the deposition of the surrounding Mn-based phases was accomplished by hydrothermal means at pH values ranging from 2.4 to 7.0. The resulting heterostructured nanocrystals consist of inverted AFM-FiM NiO/±MnxNi1-xO/±Mn3O4 bimagnetic/trimagnetic systems. A complete characterization of the MHNCs was carried using XRD, TEM, EDS, MPMS magnetometry and XPS analysis. Structural investigations revealed predominantly faceted MHNCs ranging in size from 24-30 nm …
Fabrication Of Multifunctional Carbon Coated Cobalt Ferrite Core/Shell Nanostructures By Pulsed Laser Ablation, Joy Roy
MSU Graduate Theses
Considerable research work is going on worldwide among the therapeutic scientific communities to use magnetic nanoparticles (NPs) as a controlled drug delivery system. Challenges to use those NPs for such in-vivo applications successfully are mainly biocompatibility and the functionality of those NPs. Addressing the needs, in this project, we synthesized carbon-coated cobalt ferrite (CFO) core-shell nanoparticles (CSNPS) by ablating a solution of toluene and CFO NPs with varying number of pulsed laser shots. The structure of the CSNPs then investigated through X-ray diffraction (XRD), Raman spectroscopy, and also with the high-resolution transmission electron microscopy (HRTEM). The XRD analysis shows that …
Performance Of Pld Grown Zno Thin Film As A Thin Film Transistor, Shahidul Asif
Performance Of Pld Grown Zno Thin Film As A Thin Film Transistor, Shahidul Asif
MSU Graduate Theses
The performance of ZnO thin film (grown in different parameters) as a thin film transistor (TFT) is the focus of this study. ZnO is renowned for being n-type semiconductor naturally which was utilized in fabricating a thin film transistor here. This thesis is compared the performance of ZnO thin film transistor by growing the thin film using pulsed laser deposition (PLD) on two slightly different substrates at different temperatures in an optimal 0.1 milli bar oxygen pressure which was later analyzed using other material characterization methods. The substrates were both Si (100) but had different resistivity due to different amount …
Ractive Md Simulation On The Formation Of Amorphous Alumina Layer Using Atomic Layer Deposition (Ald), Yuxuan Lu
MSU Graduate Theses
In this study, a systematic study has been performed by using the large-scale classical reactive molecular dynamics (MD) simulations to model the Atomic Layer Deposition (ALD) processes that generated tan ultra-thin and sub-nano meter amorphous alumina. The ALD process employed both water pulse and (Trimethyl-Aluminum) TMA precursors deposited onto the surface of an aluminum wetting layer. The study varied the sizes of the substrate and the concentrations of water/hydroxide precursors with a range of operating temperature to design the most favorable configurations for the subsequent TMA precursors to add onto. The role of crystallographic orientation of the Al wetting layer …
Study Of Amorphous Boron Carbide And Hydrogenated Boron Carbide Materials Using Molecular Dynamics And Hybrid Reverse Monte Carlo, Rajan Khadka
MSU Graduate Theses
We present a computational study of amorphous boron carbide (a-BxC) models using Molecular Dynamics (MD) studied with Stillinger-Weber (SW) and ReaxFF potential. The atomic structure factor (S(Q)), radial distribution function (RDF) and bond lengths comparison with other experimental and ab initio models shows that a random arrangement of icosahedra (B12, B11C) interconnected by chains (CCC, CBC) are present in a-BxC. Afterward, Hybrid Reverse Monte Carlo (HRMC) technique is used to recreate a-BxC structures. The existing SW potential parameters of Boron are optimized for the α-rhombohedral (Icosahedral B12 …
Synthesis Of Amorphous Hydrogenated Boron Carbide From Orthocarborane Using Argon Bombardment: A Reaxff Molecular Dynamics Study, Nirmal Baishnab
Synthesis Of Amorphous Hydrogenated Boron Carbide From Orthocarborane Using Argon Bombardment: A Reaxff Molecular Dynamics Study, Nirmal Baishnab
MSU Graduate Theses
In this study, the synthesis process of a-BxC:Hy using argon bombardment from the orthocarborane precursor was modeled by using reactive molecular dynamics (MD). Utilizing the MD simulations, the formation of free radicals as a result of ion bombardment was identified and quantified. Then, the densification process that is aided by the mixture of free radicals and orthocarborane was analyzed. The densification process by creating the initial structure composed of free radicals and orthocarborane with active sites created by partially removing some of the hydrogen atoms from the icosahedral cage was also modelled. Overall, a better understanding of …
Structure And Properties Of Zno-Zns Heterostructures, Sanchali Das
Structure And Properties Of Zno-Zns Heterostructures, Sanchali Das
MSU Graduate Theses
Heterostructures consisting of at least two layers of dissimilar materials have always been well studied due to potential applications in nano-electronic and optoelectronic devices. In this study, I have investigated the structural and physical properties of zinc oxide -zinc sulfide (ZnO-ZnS) based heterostructures of thin films and core-shell nanoparticles. Pulsed laser deposition technique was employed to grow ZnO thin film on sapphire substrate. ZnO-ZnS heterostructures were obtained using hydrothermal synthesis where thiourea has served as a precursor solution for the source of sulfur. X-ray diffraction analysis on the parent and the sulfidized samples gives the information about the crystallinity and …
Fake Review Detection Using Data Mining, Md Forhad Hossain
Fake Review Detection Using Data Mining, Md Forhad Hossain
MSU Graduate Theses
Online spam reviews are deceptive evaluations of products and services. They are often carried out as a deliberate manipulation strategy to deceive the readers. Recognizing such reviews is an important but challenging problem. In this work, I try to solve this problem by using different data mining techniques. I explore the strength and weakness of those data mining techniques in detecting fake review. I start with different supervised techniques such as Support Vector Ma- chine (SVM), Multinomial Naive Bayes (MNB), and Multilayer Perceptron. The results attest that all the above mentioned supervised techniques can successfully detect fake review with more …
An In-Situ Study Of The Aqueous Speciation Of Uranium (Vi) Under Hydrothermal Conditions, Diwash Dhakal
An In-Situ Study Of The Aqueous Speciation Of Uranium (Vi) Under Hydrothermal Conditions, Diwash Dhakal
MSU Graduate Theses
Rigorous study of the speciation distribution of uranyl-chloride bearing solutions under hydrothermal conditions is important to understand the transport mechanism of uranium underground, which is of uttermost interest to parties studying the geological uranium deposits and those studying the possibilities of geological repositories for spent nuclear waste. I report an in-situ Raman spectroscopic study of the speciation distribution of aqueous uranyl-chloride complexes upto 500°C conducted using a HDAC as the high PT spectroscopic cell. The samples studied contained the species UO22+, UO2Cl+, UO2Cl20 and UO2Cl3- …
Development Of Multicomponent Eam Potential For Ni-Based Superalloy, Muztoba Rabbani
Development Of Multicomponent Eam Potential For Ni-Based Superalloy, Muztoba Rabbani
MSU Graduate Theses
We initiated the development of multi-component EAM potentials for Aluminides and Carbides, key phases in Ni-based Superalloys. The goal is to utilize the MD simulation to understand the deformation dynamics that contribute to the formation of voids and creep initiation. For this purpose, we constructed the raw data from ab-initio (molecular dynamics) MD simulations fed into the potential development code and used Nickel as the base metal with the addition of a number of various elements including Aluminum, Chromium, Tungsten. We then developed the EAM potentials for the aluminide and carbide phases using the force-fitting code MEAMfit. Our generated potential …
Molecular Dynamics Study Of Creep Deformation In Nickel-Based Superalloy, Sabila Kader Pinky
Molecular Dynamics Study Of Creep Deformation In Nickel-Based Superalloy, Sabila Kader Pinky
MSU Graduate Theses
The present study employs molecular dynamics simulations of Ni-based superalloy to investigate the creep behavior under uniaxial compression test. Dislocation dynamics is analyzed for the nickel-based single crystal superalloy with the presence of void and with varying the distribution of gamma-prime phase The results show that multiple-void systems are more prone to yield than single-void systems and single-void systems are more prone to yield than the system without void. From the simulations, it has been determined that the creep mechanism in Ni/Ni3Al is subject to change on the applied stress depending on the distribution of gamma-prime phases change. Dislocation behavior …
Investigations On Hydrothermally Synthesized Co3o4/Mnxco3-Xo4 Core-Shell Nanoparticles, Ning Bian
Investigations On Hydrothermally Synthesized Co3o4/Mnxco3-Xo4 Core-Shell Nanoparticles, Ning Bian
MSU Graduate Theses
Two different morphologies (pseudo-spherical shaped or PS type and hexagonal nanoplate shaped or NP type) and two different concentrations (0.07 M and 0.1 M) of manganese incorporated Co3O4@MnxCo3-xO4 core-shell nanoparticles (CSNs) were investigated, respectively. The motivation of this work is to investigate the magnetic properties of, and specifically the exchange bias, between different shaped CSNs and between different Mn-doped CSNs. A two-step synthesis method was utilized to obtain the CSNs: a soft chemical approach was used to obtain Co3O4 nanoparticles and a hydrothermal nano-phase epitaxy was used to …
Application Of Nano-Plasmonics For Sers Bio-Detection And Photocatalysis In The Same Platform, Muhammad R. Shattique
Application Of Nano-Plasmonics For Sers Bio-Detection And Photocatalysis In The Same Platform, Muhammad R. Shattique
MSU Graduate Theses
Nano-biological systems interfacing nano-structured solid surfaces with biological compounds such as oligonucleotides or proteins are highly regarded as enabling materials for biosensing and biocatalysis applications. In particular, nanostructures of noble metals such as gold or silver, when exposed to light, exhibit a phenomenon known as surface plasmon resonance. When a proper metal nanostructure (plasmonic substrate) is exposed to light, very efficient absorption of incoming photons is possible, resulting in a buildup of localized high-energy regions, or “hot-spots”, where energetic carriers or “hot carriers” can be created. These hot-carriers can be used to catalyze desired chemical transformations in materials located nearby. …
Magnetic Studies Of Multiferroic Heterostructures, Ahmed Rayhan Mahbub
Magnetic Studies Of Multiferroic Heterostructures, Ahmed Rayhan Mahbub
MSU Graduate Theses
Multiferroic heterostructures (MHS) consisting of at least two materials with ferroic properties have been a major focus for researchers recently due to its immense potential in device applications. Almost all MHS use ferromagnetic layers making it a very important research area. In this thesis the magnetic properties of different ferromagnetic heterostructures have been investigated. Different bilayers of hard ferromagnet cobalt ferrite (CFO)-soft ferromagnet lanthanum strontium manganese oxide (LSMO) and hard ferromagnet CFO-antiferromagnet nickel oxide (NiO) were fabricated. Pulsed laser deposition technique was used to deposit the thin films on LAO and sapphire substrates. Purpose of using a hard ferromagnetic CFO …