Electronic Structure Studies On Transition Metal Containing Endohedral Fullerenes, Carbon Onions And Zinc Sulfide Cages,
2017
University of Texas at El Paso
Electronic Structure Studies On Transition Metal Containing Endohedral Fullerenes, Carbon Onions And Zinc Sulfide Cages, Shusil Bhusal
Open Access Theses & Dissertations
We present the most stable structures for VXSc3-XN@C2n (where X=1-3 and 2n=70, 76, 78 and 80) using a systematic procedure that involves all possible isomers of the host fullerene cages. Subsequently, a detailed investigation of structural and electronic properties of the lowest energy isomers is performed using density functional theory in combination with large polarized Gaussian basis sets. The search procedure developed involved structural optimizations of thousands of fullerenes and correctly identifies the experimentally observed VSc2N@C80 and V2ScN@C80 isomer as the most stable structures. The structural analysis shows that a few V-doped endohedral fullerenes do not follow the isolated pentagon …
Organic-Inorganic Graphite And Transition Metal Dichalcogenide Based Composites For 3d Printing,
2017
University of Texas at El Paso
Organic-Inorganic Graphite And Transition Metal Dichalcogenide Based Composites For 3d Printing, Jorge Alfredo Catalan Gonzalez
Open Access Theses & Dissertations
This project was multipronged to help fuse together topics of additive manufacturing and two-dimensional (2D) layered materials, and studying the mechanical and electrical properties of the composites produced. The composites are made from the thermoplastic polymer acting as a matrix and the graphite and 2D transition metal dichalcogenides (TMDs) serving as the filler or reinforcement. Different concentrations of TMD's were added to the matrix to study the effect of composition on the mechanical and electrical properties. To shed insights into the mechanical properties, test coupons were produced as "dog bone" structures for tensile testing using the ASTM D638 type 5 …
Mechanically Activated Magnesiothermic Combustion Synthesis Of Zirconium And Hafnium Diborides,
2017
University of Texas at El Paso
Mechanically Activated Magnesiothermic Combustion Synthesis Of Zirconium And Hafnium Diborides, Sergio Cordova
Open Access Theses & Dissertations
Magnetohydrodynamic (MHD) generation of electric power has the potential to increase the thermal efficiency of fossil-fuel burning power plants. Electrode materials in MHD generators must possess a high melting point, high electrical and thermal conductivities, chemical stability, and resistance to thermal shock, oxidation, and plasma sparks/arcs. Ultra-high temperature ceramics based on diborides of zirconium and hafnium (ZrB2 and HfB2) are promising materials for this application. Self-propagating high-temperature synThesis (SHS) is an attractive method for their large-scale fabrication, but SHS of ZrB2 and HfB2 from elemental Zr, Hf, and B is not economically viable because of the high cost of the …
Methods For Producing Graphene From Petroleum By-Products,
2017
University of Texas at El Paso
Methods For Producing Graphene From Petroleum By-Products, Eva M. Deemer
Open Access Theses & Dissertations
N/A
On Demand 3d Printed Hybrid Scaffolds For Tissue Engineering Applications,
2017
University of Texas at El Paso
On Demand 3d Printed Hybrid Scaffolds For Tissue Engineering Applications, Ivan D. Hernandez
Open Access Theses & Dissertations
A composite 3D printed polymer scaffold with inbuilt porosity and filled with a hydrogel can provide an ideal support system for cell growth, proliferation, and vascularization. Therefore, a hybrid system of 3D printed polycaprolactone (PCL) scaffold and a hydroxyapatite-based hydrogel was developed for application in the reconstruction of bone defects, which are inherently difficult to repair without any guided therapies. In the present study, a 3D printed gyroid structure of PCL allowed the loading of a higher amount of hydrogel as compared to conventionally used 3D printed mesh structure of the same volume and strut thickness. The hydrogel was composed …
Ac Susceptibility And Epr Investigations Of Superspin Dynamics In Manganese Oxide Nanoparticles,
2017
University of Texas at El Paso
Ac Susceptibility And Epr Investigations Of Superspin Dynamics In Manganese Oxide Nanoparticles, Mahesh Koirala
Open Access Theses & Dissertations
We have investigated the superspin dynamics of 5 nm and 10 nm mixed state Mn3O4 nanoparticles utilizing ac-susceptibility and electron paramagnetic resonance measurements. The out of phase component of the ac-susceptibility measurements show a magnetic anomaly below (T
Protonic Conductors For Intermediate Temperature Fuel Cell Electrolytes: Superprotonic Csh2po4 Stabilization And In-Doped Snp2o7 Structure Study,
2017
University of Texas at El Paso
Protonic Conductors For Intermediate Temperature Fuel Cell Electrolytes: Superprotonic Csh2po4 Stabilization And In-Doped Snp2o7 Structure Study, Heber Jair Martinez Salinas
Open Access Theses & Dissertations
Proton conductor solid electrolytes CsH2PO4 and In-doped tin pyrophosphate have been investigated as candidates to fill a gap of suitable electrolytes for fuel cells at the intermediate temperature range due their unusually high conductivities between 200 and 300 °C. Unfortunately, in the case of CsH2PO4, complicated experimental conditions, like a humidified environment, or high pressure, are needed to preserve the sought high conducting phase.
In the first stage of this work, X-ray diffraction on CsH2PO 4 samples performed in air, and under normal conditions of humidity and pressure, evidence of the cubic phase of CsH2PO4 was observed during short intervals …
Structural And Mechanical Characterization Of Nanocrystalline Tungsten And Tungsten-Based Alloy Thin Films For Extreme Environment Applications,
2017
University of Texas at El Paso
Structural And Mechanical Characterization Of Nanocrystalline Tungsten And Tungsten-Based Alloy Thin Films For Extreme Environment Applications, Gustavo Martinez
Open Access Theses & Dissertations
Extreme environments associated with nuclear applications often results in degradation of the physical, mechanical and thermo-mechanical properties of the materials. Tungsten (W) exhibits unique physical and mechanical properties, which makes tungsten a good candidate for nuclear applications; however, intrinsic W exhibits low fracture toughness at all temperatures in addition to a high ductile to brittle transition. In the present work, nanocrystalline W, W-Y and W-Mo alloys were nanoengineered for nuclear applications. Nanocrystalline tungsten coatings with a thickness of ~1 µm were deposited onto Silicon (100) and Sapphire (C-plane) using RF and DC sputtering techniques under various growth conditions. Yttrium content …
Raman Microscopic Analysis Of Internal Stress In Boron-Doped Diamond Thin Films,
2017
University of Texas at El Paso
Raman Microscopic Analysis Of Internal Stress In Boron-Doped Diamond Thin Films, Emma M.A. Sundin
Open Access Theses & Dissertations
The correlations between induced stress on undoped and boron-doped diamond (BDD) thin films, sample chemical composition, and fabrication substrate are investigated in this study via confocal Raman microspectroscopic analysis. Stability of BDD films is relevant to fast-scan cyclic voltammetry, as film delamination and dislocation of BDD-coated electrodes that can occur during neurosurgical electrode implantation can negatively impact the biosensing reliability of this technique. Electrodes were fabricated by coating cylindrical tungsten rods using a custom-built chemical vapor deposition reactor. The results of the analysis reveal a direct correlation between regions of pure diamond and enhanced material stress, as well as preferential …
Structural And Electrical Characterization Of Tin Oxide Resistive Switching,
2017
University of Texas at El Paso
Structural And Electrical Characterization Of Tin Oxide Resistive Switching, Arka Talukdar
Open Access Theses & Dissertations
Resistive switching in metal oxide is a phenomenon in which the metal oxide changes its resistance upon application of electric field and thus giving two states; high resistance state (HRS) and low resistance state (LRS). Many metal oxides have been investigated however very little is known about unipolar resistive switching in SnO2 though it has shown excellent resistive switching characteristics. Defects in the material play a vital role in resistive switching of the metal oxides. In this work, the role of defects in resistive switching of SnO2 are investigated in Ti/SnO2/Au structures. Two methods were used to control the concentration …
Comprehensive Finite Element Modeling Of Ti-6al-4v Cellular Solids Fabricated By Electron Beam Melting,
2017
University of Texas at El Paso
Comprehensive Finite Element Modeling Of Ti-6al-4v Cellular Solids Fabricated By Electron Beam Melting, Edel Arrieta
Open Access Theses & Dissertations
Additive manufacturing permits the fabrication of cellular metals which are materials that can be highly customizable and possess multiple and extraordinary properties such as damage tolerance, metamorphic and auxetic behaviors, and high specific stiffness. This makes them the subject of interest for innovative applications. With interest in these materials for energy absorption applications, this work presents the development of nonlinear finite element models in commercial software platforms (MSC Patran/Nastran) that permit the analysis of the deformation mechanisms of these materials under compressive loads. In the development of these models, a detailed multiscale study on the different factors affecting the response …
Characterization & Extraction Of Extracellular Matrix From Porcine Adipose Tissue,
2017
University of Texas at El Paso
Characterization & Extraction Of Extracellular Matrix From Porcine Adipose Tissue, Rahulkumar Kantibhia Bhoi
Open Access Theses & Dissertations
Tissue in particular extracellular matrix(ECM) plays a vital role in the growth and the function of each cell types and promote tissue regeneration and repair an impair organs. Many techniques have been developed so far to decellularized porcine tissue for the purpose to use as regenerative medicine and in tissue engineering. We aimed to optimized a method to decellularized porcine tissue while effectively eliminating xenogeneic epitopes, lipids and to retain necessary component of it intact without disrupting ECM. We have developed 2-week protocol to optimize well preserved ECM component that may keep xenogeneic biomaterial for tissue engineering and regenerative medicine. …
Low-Drag Events In Transitional Wall-Bounded Turbulence,
2017
Newcastle University
Low-Drag Events In Transitional Wall-Bounded Turbulence, Richard D. Whalley, Jae Sung Park, Anubhav Kushwaha, David J.C. Dennis, Michael D. Graham, Robert J. Poole
Department of Mechanical and Materials Engineering: Faculty Publications
Intermittency of low-drag pointwise wall shear stress measurements within Newtonian turbulent channel flow at transitional Reynolds numbers (friction Reynolds numbers 70 – 130) is characterized using experiments and simulations. Conditional mean velocity profiles during low-drag events closely approach that of a recently discovered nonlinear traveling wave solution; both profiles are near the so-called maximum drag reduction profile, a general feature of turbulent flow of liquids containing polymer additives (despite the fact that all results presented are for Newtonian fluids only). Similarities between temporal intermittency in small domains and spatiotemporal intermittency in large domains is thereby found.
Flowtaxis Of Osteoblast Migration Under Fluid
Shear And The Effect Of Rhoa Kinase Silencing,
2017
University of Nebraska-Lincoln
Flowtaxis Of Osteoblast Migration Under Fluid Shear And The Effect Of Rhoa Kinase Silencing, Brandon D. Riehl, Jeong Soon Lee, Ligyeom Ha, Il Keun Kwon, Jung Yul Lim
Department of Mechanical and Materials Engineering: Faculty Publications
Despite the important role of mechanical signals in bone remodeling, relatively little is known about how fluid shear affects osteoblastic cell migration behavior. Here we demonstrated that MC3T3-E1 osteoblast migration could be activated by physiologically-relevant levels of fluid shear in a shear stress-dependent manner. Interestingly, shear-sensitive osteoblast migration behavior was prominent only during the initial period after the onset of the steady flow (for about 30 min), exhibiting shear stress-dependent migration speed, displacement, arrest coefficient, and motility coefficient. For example, cell speed at 1 min was 0.28, 0.47, 0.51, and 0.84 μm min-1 for static, 2, 15, and 25 …
Fluid-Structure Interaction In Abdominal Aortic Aneurysm:
Effect Of Modeling Techniques,
2017
Xiamen University of Technology
Fluid-Structure Interaction In Abdominal Aortic Aneurysm: Effect Of Modeling Techniques, Shengmao Lin, Xinwei Han, Yonghua Bi, Siyeong Ju, Linxia Gu
Department of Mechanical and Materials Engineering: Faculty Publications
In this work, the impact of modeling techniques on predicting the mechanical behaviors of abdominal aortic aneurysm (AAA) is systematically investigated. The fluid-structure interaction (FSI) model for simultaneously capturing the transient interaction between blood flow dynamics and wall mechanics was compared with its simplified techniques, that is, computational fluid dynamics (CFD) or computational solid stress (CSS) model. Results demonstrated that CFD exhibited relatively smaller vortexes and tends to overestimate the fluid wall shear stress, compared to FSI. On the contrary, the minimal differences in wall stresses and deformation were observed between FSI and CSS models. Furthermore, it was found that …
High Temperature Near-Field Nanothermomechanical
Rectification,
2017
University of Nebraska-Lincoln
High Temperature Near-Field Nanothermomechanical Rectification, Mahmoud Elzouka, Sidy Ndao
Department of Mechanical and Materials Engineering: Faculty Publications
Limited performance and reliability of electronic devices at extreme temperatures, intensive electromagnetic fields, and radiation found in space exploration missions (i.e., Venus & Jupiter planetary exploration, and heliophysics missions) and earth-based applications requires the development of alternative computing technologies. In the pursuit of alternative technologies, research efforts have looked into developing thermal memory and logic devices that use heat instead of electricity to perform computations. However, most of the proposed technologies operate at room or cryogenic temperatures, due to their dependence on material’s temperature-dependent properties. Here in this research, we show experimentally—for the first time—the use of near-field thermal radiation …
Surface Charge Switchable And Ph-Responsive Chitosan/Polymer Core-Shell Composite Nanoparticles For Drug Delivery Application,
2017
Hong Kong Polytechnic University
Surface Charge Switchable And Ph-Responsive Chitosan/Polymer Core-Shell Composite Nanoparticles For Drug Delivery Application, W. F. Huang, C. P. Tsui, M. Yang, Linxia Gu
Department of Mechanical and Materials Engineering: Faculty Publications
The mutually conflicting surface charge requirements for nanoparticles to have long circulation and good cell affinity have made the development of polymer nanoparticles for controlled drug delivery fall into a dilemma. In order to solve this problem, the first attempt has been made in this work to develop vancomycin loaded composite nanoparticles with a novel chitosan core and poly (lactide-co-glycolide) (PLGA) shell structure and with both pH-responsive and surface charge switchable properties. Spherical composite nanoparticles have been successfully fabricated through a modified emulsion-gelation method with a controllable size (316–573 nm), surface charge (–27.6–31.75 mV) and encapsulation efficiency up to 70.8%. …
Molecular Dynamics Simulations Of Heterogeneous Cell Membranes In Response To Uniaxial Membrane Stretches At High Loading Rates,
2017
University of Oxford
Molecular Dynamics Simulations Of Heterogeneous Cell Membranes In Response To Uniaxial Membrane Stretches At High Loading Rates, Lili Zhang, Zesheng Zhang, John Jasa, Dongli Li, Robin O. Cleveland, Mehrdad Negahban, Antoine Jérusalem
Department of Mechanical and Materials Engineering: Faculty Publications
The chemobiomechanical signatures of diseased cells are often distinctively different from that of healthy cells. This mainly arises from cellular structural/compositional alterations induced by disease development or therapeutic molecules. Therapeutic shock waves have the potential to mechanically destroy diseased cells and/or increase cell membrane permeability for drug delivery. However, the biomolecular mechanisms by which shock waves interact with diseased and healthy cellular components remain largely unknown. By integrating atomistic simulations with a novel multiscale numerical framework, this work provides new biomolecular mechanistic perspectives through which many mechanosensitive cellular processes could be quantitatively characterised. Here we examine the biomechanical responses of …
High-Velocity Projectile Impact Induced 9r Phase In Ultrafine-Grained Aluminium,
2017
Purdue University
High-Velocity Projectile Impact Induced 9r Phase In Ultrafine-Grained Aluminium, Sichuang Xue, Zhe Fan, Olawale B. Lawal, Ramathasan Thevamaran, Qiang Li, Yue Liu, K. Y. Yu, Jian Wang, Edwin L. Thomas, Haiyan Wang, Xinghang Zhang
Department of Mechanical and Materials Engineering: Faculty Publications
Aluminium typically deforms via full dislocations due to its high stacking fault energy. Twinning in aluminium, although difficult, may occur at low temperature and high strain rate. However, the 9R phase rarely occurs in aluminium simply because of its giant stacking fault energy. Here, by using a laser-induced projectile impact testing technique, we discover a deformation-induced 9R phase with tens of nm in width in ultrafine-grained aluminium with an average grain size of 140 nm, as confirmed by extensive post-impact microscopy analyses. The stability of the 9R phase is related to the existence of sessile Frank loops. Molecular dynamics simulations …
Controllable Energy Absorption Of Double Sided Corrugated Tubes Under Axial Crushing,
2017
University of Nebraska-Lincoln
Controllable Energy Absorption Of Double Sided Corrugated Tubes Under Axial Crushing, Hozhabr Mozafari, Shengmao Lin, Linxia Gu
Department of Mechanical and Materials Engineering: Faculty Publications
To maximize the controllable energy absorption of corrugation troughs as observed in the single sided corrugated (SSC) tube, we proposed and tested a new structure design, i.e., double-sided corrugated (DSC) tube made of Al 6060-T6 aluminum alloy or CF1263 carbon/epoxy composite. Finite element models were developed to test the mechanical advantage of the DSC tube in comparison with both SSC and classical straight (S) tubes under axial crushing. Results have shown that the total absorbed energy of the DSC aluminum tube with 14 corrugations was 330% and 32% higher than that of the SSC tube with 14 corrugations and the …
