Open Access. Powered by Scholars. Published by Universities.®
- Discipline
-
- Atomic, Molecular and Optical Physics (8)
- Condensed Matter Physics (8)
- Engineering (8)
- Chemistry (6)
- Materials Science and Engineering (6)
-
- Engineering Physics (5)
- Materials Chemistry (5)
- Other Materials Science and Engineering (3)
- Semiconductor and Optical Materials (3)
- Artificial Intelligence and Robotics (2)
- Biological and Chemical Physics (2)
- Ceramic Materials (2)
- Chemicals and Drugs (2)
- Computer Sciences (2)
- Medicinal-Pharmaceutical Chemistry (2)
- Medicine and Health Sciences (2)
- Nanoscience and Nanotechnology (2)
- Optics (2)
- Other Physical Sciences and Mathematics (2)
- Plasma and Beam Physics (2)
- Quantum Physics (2)
- Statistical, Nonlinear, and Soft Matter Physics (2)
- Analytical Chemistry (1)
- Biology and Biomimetic Materials (1)
- Dermatology (1)
- Earth Sciences (1)
- Education (1)
- Electrical and Computer Engineering (1)
- Keyword
-
- Atomic layer deposition (4)
- Molecular dynamics (4)
- Machine learning (3)
- Pulsed laser deposition (3)
- Raman spectroscopy (3)
-
- Epitaxy (2)
- Modeling (2)
- Thin films (2)
- XRD (2)
- 2D materials (1)
- Absorption (1)
- Alumina (1)
- Aluminum-oxide (1)
- Amorphous boron carbide (1)
- Anisotropic (1)
- Antiferromagnetism (1)
- Artificial intelligence (1)
- Barium titanate (1)
- Battery (1)
- Birefringence (1)
- Boron carbide (1)
- Bottom gated TFT (1)
- Carbon (1)
- Characterization (1)
- Co-planar TFT (1)
- Computational materials physics (1)
- Copper oxide (1)
- Core shell nanoparticles (1)
- Crystal (1)
- Cytosine (1)
Articles 1 - 24 of 24
Full-Text Articles in Physics
Gas Evolution Of A Nickel-Zinc Cell, Niklas Landgraf
Gas Evolution Of A Nickel-Zinc Cell, Niklas Landgraf
MSU Graduate Theses
Batteries are a foundational technology in some of the industries most essential to humanity. Often, their advancement to achieve better performance impacts human lives positively. There are a wide variety of battery chemistries that have been utilized, and the differences in their properties have caused them to be used in many distinct niche applications. Nickel-Zinc (NiZn) batteries are desirable because of their recyclable materials, high cell voltage, and high cycle-life. However, it experiences undesirable shape-change of its electrode materials and gas production due to the electrolysis of the aqueous electrolyte. These can lead to a decrease in capacity over many …
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 …
Investigating The Structural Properties Of Licoo2 Through Annealing In A Reducing Atmosphere And Characterization Using Raman Spectroscopy And X-Ray Diffraction, Mathew A. Boeser
Investigating The Structural Properties Of Licoo2 Through Annealing In A Reducing Atmosphere And Characterization Using Raman Spectroscopy And X-Ray Diffraction, Mathew A. Boeser
MSU Graduate Theses
The electrochemical performance of lithium cobalt oxide (LiCoO2) cathode materials in lithium-ion batteries is strongly influenced by their structural and chemical characteristics. Annealing in a reducing atmosphere is able to modify the crystal structure of LiCoO2 by inducing oxygen vacancies, ideally enhancing its electrochemical performance. This master's thesis presents an investigation into the effects of low to mid-range annealing temperatures in a reducing atmosphere on bulk LiCoO2 powder, utilizing Raman spectroscopy and X-ray Diffraction (XRD).
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 …
Reflective Freewriting As A Strategy To Improve Pre-Service Teacher’S Physics Content Knowledge And Overall Attitude Toward Physics And Physics Teaching, Kali Ann Shoaf-Laughlin
Reflective Freewriting As A Strategy To Improve Pre-Service Teacher’S Physics Content Knowledge And Overall Attitude Toward Physics And Physics Teaching, Kali Ann Shoaf-Laughlin
MSU Graduate Theses
A pilot study conducted in the pre-service teacher (PST) physics classroom at Missouri State University sought to validate a tool for learning. A writing treatment, in which students were asked to participate in reflective freewriting exercises over the course of the semester was administered to one lab group. The Physics Attitude Scale was used to determine whether a positive impact was made on pre-service teacher attitudes about physics and teaching physics. Classroom exams and lab reports were used to determine whether or not aptitude was affected. This action research study used qualitative data to assess content knowledge and overall shift …
Growth And Characterization Of Sm3hfbi5, Patrick Lambdin
Growth And Characterization Of Sm3hfbi5, Patrick Lambdin
MSU Graduate Theses
First found experimentally in 2015, topological Weyl materials are desirable compounds that have garnered much interest due to their ability to conduct electricity via their surface states even though the bulk material is a semimetal. Such a candidate, Sm3HfBi5, was discovered with a flux crystal growth method, following an extensive amount of reaction syntheses. This thesis reports on the discovery, growth, structural characterization via x-ray diffraction, and magnetization measurements on Sm3HfBi5.
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 …
Review Of Current Reactive Force Field Potentials For Use In Simulating The Atomic Layer Deposition Of Alumina On Aluminum, Devon T. Romine
Review Of Current Reactive Force Field Potentials For Use In Simulating The Atomic Layer Deposition Of Alumina On Aluminum, Devon T. Romine
MSU Graduate Theses
Alumina has recently garnered quite a bit of attention for use as a tunnel barrier in Josephson tunnel junctions. The quality of the metal oxide layer in the Josephson tunnel junction is a key factor in its effectiveness. To optimize the deposition method of alumina, we need a deep understanding of the large-scale surface interactions that cannot be reached using ab initio molecular dynamics. In this study, I have compared two existing reactive force field (ReaxFF) parameters to determine their abilities to model the atomic layer deposition (ALD) of alumina on an aluminum surface. ReaxFF molecular dynamics was chosen because …
Study Of Electrical And Magnetic Properties Of Ni/Nio Nanocomposite Thin Film, Bishwajite Karmakar
Study Of Electrical And Magnetic Properties Of Ni/Nio Nanocomposite Thin Film, Bishwajite Karmakar
MSU Graduate Theses
In this thesis, detailed magnetic and electrical transport properties of composite thin films consisting of antiferromagnetic NiO, and ferromagnetic Ni have been studied. Highly oriented NiO thin films were grown on sapphire (0001) substrate using pulsed laser deposition with varying growth parameters such as oxygen pressure of the chamber and the substrate temperature. To obtain various percentage mixtures of Ni and NiO by means of introducing point defects (oxygen vacancies) into the NiO crystal structure, the as-grown films were annealed in forming gas (Ar:96% and H2:4%) at a fixed temperature of 600C and varying annealing time (0.5h to 6h). X-ray …
Structural, Electrical And Optical Properties Of Copper Oxide Phase Mixture: An Active Layer Of Solar Cell, Rifat Ara Shams
Structural, Electrical And Optical Properties Of Copper Oxide Phase Mixture: An Active Layer Of Solar Cell, Rifat Ara Shams
MSU Graduate Theses
Both CuO and Cu2O have been well studied and implemented individually as an active layer of a solar cell from early age of manufacturing. A mixture of these two-phase contents at different ratios can bring variance in absorbance which can present new and diverse aspect in solar cell fabrication with added efficiency. Previous works were successful to vary the phase mixture, and the nanostructures provided very high absorption co-efficient but poor optical response on electrical conductivity. The goal of this research is to find out the optimum parameter for the phase mixture of copper oxide with high absorption coefficient as …
Applications Of A Combined Approach Of Kinetic Monte Carlo Simulations And Machine Learning To Model Atomic Layer Deposition (Ald) Of Metal Oxides, Emily Justus
MSU Graduate Theses
Metal-oxides such as ZnO or Al2O3 synthesized through Atomic Layer Deposition (ALD) have been of great research interest as the candidate materials for ultra-thin tunnel barriers. In this study, I have applied a 3D on-lattice Kinetic Monte Carlo (kMC) code developed by Timo Weckman’s group to simulate the growth mechanisms of the tunnel barrier layer and to evaluate the role of various experimentally relevant factors in the ALD processes. I have systematically studied the effect of parameters such as the chamber pressure temperature, pulse, and purge times. The database generated from the kMC simulations was subsequently used …
Transport Properties Of Binary And Doped Diborides, Alin Babu Niraula
Transport Properties Of Binary And Doped Diborides, Alin Babu Niraula
MSU Graduate Theses
A systematic computational study to evaluate the electronic structures and transport properties including resistivity, thermal conductivity of several binary diborides (ZrB2 , TiB2 , TaB2 , CrB2 , and AlB2 ) and the ZrB2 alloyed with Cr, Al, Ti and Ta has been performed. Due to the p-d hybridization, the characteristic pseudo gap at the Fermi energy level (Ef) from the density of states (DOS) is presence in the DOS of both ZrB2 and TiB2 in contrast to those of TaB2 and CrB2 with only a partial occupation on the anti-bonding states. AlB2 is also similarly shown the presence of …
Modeling Of Argon Bombardment And Densification Of Low Temperature Organic Precursors Using Reactive Md Simulations And Machine Learning, Kwabena Asante-Boahen
Modeling Of Argon Bombardment And Densification Of Low Temperature Organic Precursors Using Reactive Md Simulations And Machine Learning, Kwabena Asante-Boahen
MSU Graduate Theses
In this study, an important aspect of the synthesis process for a-BxC:Hy was systematically modeled by utilizing the Reactive Molecular Dynamics (MD) in modeling the argon bombardment from the orthocarborane molecules as the precursor. The MD simulations are used to assess the dynamics associated with the free radicals that result from the ion bombardment. By applying the Data Mining/Machine Learning analysis into the datasets generated from the large reactive MD simulations, I was able to identify and quality the kinetics of these radicals. Overall, this approach allows for a better understanding of the overall mechanism at the atomistic level of …
Characterization Of Lamellar Liquid Crystal Emulsifiers In Topical Creams Containing A Novel Solvent, Melinda Joanna Sutton
Characterization Of Lamellar Liquid Crystal Emulsifiers In Topical Creams Containing A Novel Solvent, Melinda Joanna Sutton
MSU Graduate Theses
Diethylene glycol monoethyl ether (DEGEE) is a promising solvent component in topical cream formulations due to its superior solubilizing abilities with certain active pharmaceutical ingredients. One of the goals of this study is to characterize the effects of pH on the physical and chemical stabilities of topical cream formulations containing particularly high concentrations of DEGEE by characterizing a full topical pH profile of 3.5 – 9.0. The second goal is to evaluate the presence, amount, and characteristics of lyotropic liquid crystals (LLCs), molecularly structured in a lamellar phase, in a model cream emulsion utilizing polarized light microscopy (PLM). The presence …
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 And Characterization Of Carbon Coated Barium Titanate Core-Shell Nanoparticles, Moudip Nandi
Synthesis And Characterization Of Carbon Coated Barium Titanate Core-Shell Nanoparticles, Moudip Nandi
MSU Graduate Theses
Core-shell nanoparticles (CSNP) with fascinating ferroelectric properties have diverse applications in biotechnology and the electronic field of studies. Among so many perovskites, barium titanate (BTO) nanoparticles draw much interest due to their distinct electronic and ferroelectric features. Additionally, the incorporation of carbon in the shell of CSNP makes it suitable for application in many fields due to its innocuous nature. Carbon not only increases the biocompatible properties of an element but also gives mechanical stability to the CSNP. This thesis is targeted towards the synthesis of oxide-carbide CSNP, where the core is made of BTO and the shell is made …
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 …
Heterostructure Of 2d Materials: Hfs2/Hfo2/Si, Christopher J. Robledo
Heterostructure Of 2d Materials: Hfs2/Hfo2/Si, Christopher J. Robledo
MSU Graduate Theses
Heterostructures have been utilized in electronic devices for over 50 years with the proposal for the first heterostructure transistor in 1957. With the scaling of devices, it is necessary to create new heterostructures that will comply with Moore’s Law, as well as make devices faster and consume less power. Novel 2D materials, such as hafnium disulfide, have shown promise as an active channel layer, while hafnium dioxide is already proven to be a replacement of silicon dioxide for the gate insulating layer. However, fabrication techniques for wide-scale integration of these heterostructures have not yet been achieved. Also, the dielectric properties …
Investigation Of Mnxni1-Xo Thin Films Using Pulsed Laser Deposition, Md Ashif Anwar
Investigation Of Mnxni1-Xo Thin Films Using Pulsed Laser Deposition, Md Ashif Anwar
MSU Graduate Theses
The exchange bias (EB) effect, especially in nanomaterials, is highly promising for use in antiferromagnet-based spintronics applications. NiO is a well known antiferromagnetic material with a high Néel temperature (525K) and can exhibit ferromagnetism/ ferrimagnetism by adding other magnetic transition elements. Our previous work has shown that the antiferromagnetic characteristics of conventional NiO insulating nanostructured material can be altered to have substantial ferrimagnetic characteristics by doping NiO with Mn or Co. Pulsed laser deposition (PLD) was used to grow heterostructures comprised of a nanostructured thin NiO film deposited on the surface of a MgO (100) and Al2O3 …
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 …
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- …
Magnetic Anisotropy And Exchange Bias In L10 Fept/Nio Bilayer Thin Films, Zachary B. Leuty
Magnetic Anisotropy And Exchange Bias In L10 Fept/Nio Bilayer Thin Films, Zachary B. Leuty
MSU Graduate Theses
Perpendicular exchange bias (PEB), particularly when it persists in nanomaterials to room temperature, is highly useful for applications in spintronic devices and for advancing the development of high-information-density magnetic random access memory. A complete mechanistic and theoretical understanding of exchange bias has evaded scientists. The quest to discover novel materials for magnetic and spintronic device applications has stimulated investigation into nanomaterials having optimal and/or tailored magnetic properties that are based on the exchange bias effect. In this study, pulsed laser deposition was used to grow epitaxial PEB systems of ferromagnetic FePt thin film layers that are interfaced with antiferromagnetic NiO …
Block-Copolymer Assisted Fabrication Of Anisotropic Plasmonic Nanostructures, Calbi J. Gunder
Block-Copolymer Assisted Fabrication Of Anisotropic Plasmonic Nanostructures, Calbi J. Gunder
MSU Graduate Theses
The anisotropic nanostructures of noble metals are of great interest for plasmonic applications due to the possibility of tuning the localized surface plasmon resonance (LSPR) across the UV-VIS-NIR without sacrificing the linewidth as well as to achieve larger local field enhancement. Here, we report a simple and promising fabrication method of anisotropic gold nanostructures film using polystyrene-b-2vinylpyridine (PS-b-P2VP) block copolymers (BCP) as a template. In this approach, PS-b-P2VP spherical micelles were first synthesized as a template followed by selective deposition of Au precursor inside P2VP core of the micelles using ethanol solution of Au salt. Subsequently, heat treatment of the …
Study Of Nano-Bio Interfaces In Nano-Bio Conjugates: Nanoparticles Of Zinc Oxide (Zno) And Biomolecules Of Glucose, Cytosine, And Thymine, Bithi Paul
MSU Graduate Theses
Nano conjugates, composites of inorganic nanomaterials and bio molecules such as DNA, RNA and proteins, establish a sequence of wide varieties of nano-bio boundaries. The formation of these boundaries strongly depends on bio physicochemical reaction of biomolecules coated on the surface of nanomaterials. I am investigating various nano-bio conjugates consisting of zinc oxide (ZnO) nanoparticles with simple biomolecules including glucose and the nitrogenous bases of DNA such as cytosine and thymine. All nano-bio conjugates were fabricated using a standard bio-chemical synthesis process. Structural, physical, bio-chemical interface properties of nano-bio composites were probed using X-ray diffraction (XRD), Raman spectroscopy, and photoluminescence …