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Item Ab initio study of anisotropic mechanical properties of LiCoO2 during lithium intercalation and deintercalation process(Office of the Vice Chancellor for Research, 2016-04-08) Wu, Linmin; Zhang, JingThe mechanical properties of LixCoO2 under various Li concentrations and associated anisotropy have been systematically studied using the first principles method. During the lithium intercalation process, the Young's modulus, bulk modulus, shear modulus, and ultimate strength increase with increasing lithium concentration. Strong anisotropy of mechanical properties between a-axis and c-axis in LixCoO2 is identified at low lithium concentrations, and the anisotropy decreases with increasing lithium concentration. The observed lithium concentration dependence and anisotropy are explained by analyzing the charge transfer using Bader charge analysis, bond order analysis, and bond strength by investigating partial density of states and charge density difference. With the decrease of Li concentration, the charge depletion in the bonding regions increases, indicating a weaker Co-O bond strength. Additionally, the Young's modulus, bulk modulus, shear modulus, and toughness are obtained by simulating ab initio tensile tests. From the simulated stress-strain curves, LixCoO2 shows the highest toughness, which is in contraction with Pugh criterion prediction based on elastic properties only.Item Abrasive Resistant Coatings—A Review(MDPI, 2014-05-21) Wu, Linmin; Guo, Xingye; Zhang, Jing; Mechanical Engineering, School of Engineering and TechnologyAbrasive resistant coatings have been widely used to reduce or eliminate wear, extending the lifetime of products. Abrasive resistant coatings can also be used in certain environments unsuitable for lubrications. Moreover, abrasive resistant coatings have been employed to strengthen mechanical properties, such as hardness and toughness. Given recently rapid development in abrasive resistant coatings, this paper provides a review of major types of abrasive coatings, their wearing mechanisms, preparation methods, and properties.Item Atomistic Modeling of Anisotropic Mechanical Properties of Lanthanum Zirconate Nanocystal(Elsevier, 2021-02) Guo, Xingye; Zhang, Jian; Park, Hye-Yeong; Jung, Yeon-Gil; Zhang, Jing; Mechanical and Energy Engineering, School of Engineering and TechnologyLanthanum zirconate (La2Zr2O7, or LZ) has been widely recognized as a promising candidate material for thermal barrier coating (TBC) applications since it has low thermal conductivity, high-temperature phase stability, and low sintering activity. However, the mechanical properties of LZ crystal have not been fully understood, which hinders it from future applications. In this work, atomistic simulations were performed to study the anisotropic mechanical properties of LZ crystal. Using both the first principles and molecular dynamics (MD) calculations, uniaxial tensile tests of LZ crystal in [001], [011], and [111] directions were simulated. The stress-strain curves of the tensile tests were calculated, and the ultimate tensile strength and toughness were derived. The Young's moduli in [001], [011], and [111] directions were calculated using both the stress-strain curves and an analytical method for small deformation. Additionally, shear stress-strain curves in {111}<110> and {111}<112> directions were investigated using both the first principles calculations and the MD method. Results show that Young's modulus of LZ crystal is highly anisotropic. The crystal has the highest Young's modulus in [111] direction, and {111}<112> direction is the favorable slip system during shear deformations.Item A Comparative Analysis of Local and Global Peripheral Nerve Mechanical Properties During Cyclical Tensile Testing(2022-05) Doering, Onna Marie; Yoshida, Ken; Wallace, Joseph; Goodwill, AdamUnderstanding the mechanical properties of peripheral nerves is essential for chronically implanted device design. The work in this thesis aimed to understand the relationship between local deformation responses to global strain changes in peripheral nerves. A custom-built mechanical testing rig and sample holder enabled an improved cyclical uniaxial tensile testing environment on rabbit sciatic nerves (N=5). A speckle was placed on the surface of the nerve and recorded with a microscope camera to track local deformations. The development of a semi-automated digital image processing algorithm systematically measured local speckle dimension and nerve diameter changes. Combined with the measured force response, local and global strain values constructed a stress-strain relationship and corresponding elastic modulus. Preliminary exploration of models such as Fung and 2-Term Mooney-Rivlin confirmed the hyperelastic nature of the nerve. The results of strain analysis show that, on average, local strain levels were approximately five times smaller than globally measured strains; however, the relationship was dependent on global strain magnitude. Elastic modulus values corresponding to ~9% global strains were 2.070 ± 1.020 MPa globally and 10.15 ± 4 MPa locally. Elastic modulus values corresponding to ~6% global strains were 0.173 ± 0.091 MPa globally and 1.030 ± 0.532 MPa locally.Item Development of A New Coating System for The High Functional Mold in Thin-wall Casting(2014) Kim, Eun-Hee; Jung, Yeon-Gil; Lee, Je-HyunA new inorganic binder system has been developed to prepare the mold having a high strength for the thin-walled casting. To increase the fracture strength at high temperature, a large amount of inorganic binder should be converted into glass phase and the generated glass phase has to be homogeneously coated on the surface of starting particles. In this work, two types of process were employed to investigate the coating and glassification efficiencies of inorganic precursor. In the first process (process I), the green body consisting of starting powder and organic binder was dipped in the inorganic precursor solution. In the second process (process II), the starting powder was coated by inorganic precursor, and then the organic binder was used to form the green body. The mold sample prepared using process II showed the higher strength value than that using process I, owing to the inclement effect on the glassfication efficiency by the loss of inorganic precursor in process I. The prepared real mold was perfectly produced and the casted product showed a clean surface without defects such as dross, nonmetallic inclusions, and crack. Consequently, the new inorganic binder system could be applied for preparing the mold for the thin-wall casting having high mechanical properties.Item Discrete Element Modeling of Powder Dispensing and Laser Heating in Direct Laser Metal Sintering Process(Office of the Vice Chancellor for Research, 2016-04-08) Lee, Weng Hoh; Zhang, Yi; Zhang, JingABSTRACT The growth of reliable methods to improve part created from additive manufacturing technologies greatly depend on the quantitative understanding of the mechanical properties and the microstructural behavior of the powder particles during the 3D printing procedure. To obtain a greater understanding of this process, a particle- based discrete element modeling (DEM) has incredible potential benefits in the field of manufacturing for reducing cost and control specific structures and materials of the parts created from this process. In this research, we developed a numerical tool and use it to study the powder characterization of the powder deposition process in the Direct Metal Laser Sintering (DLMS) machine. Our simulations include the modelling of particle insertion, particle spreading, and temperature distribution due to laser beam sintering process. The DEM simulation results show that the particle distribution of the powder bed after powder dispersing process. Temperature distribution after laser heating is also given.Item The effect of filler on the mechanical properties of a novel resin-based calcium phosphate cement(2010) Al Dehailan, Laila; Chu, Tien-Min Gabriel; Lund, Melvin R, 1922-; Cochran, Michael A. (Michael Alan), 1944-; Martinez Mier, Esperanza de los A. (Esperanza de los Angeles), 1967-; Cook, Norman Blaine, 1954-Several studies have found that resin-based amorphous calcium phosphate (ACP) composites can function well for applications that do not require high mechanical demand. Milled tricalcium phosphate (TCP), a new calcium-phosphate-releasing material, is crystalline in nature, suggesting it to be strong. In the present study, we investigated the use of a TCP-filled composite resin as a possible tooth restorative-material. An experimental TCP-based composite was prepared using monomer with a mixture of 34.3 percent by mass of EBPADMA, 34.2 percent by mass of HmDMA, and 30.5 percent by mass of HEMA. TCP fillers were added to the monomer mixture at different levels (30 percent, 40 percent, 50 percent, and 60 percent by weight). A universal testing machine (Sintech Renew 1121; Instron Engineering Corp., Canton, MA) was used to measure the compressive strength and modulus. FTIR was used to measure the degree of conversion. The depth of cure was determined according to the ISO standards for dental resin 4049 using the scrapping technique. Knoop hardness numbers were obtained by a microhardness tester (M-400; Leco Co., St. Joseph, MI). The viscosities of the experimental resin were determined in a viscometer (DV-II+ Viscometer; Brookfield, Middleboro, MA). The data were analyzed using a one-way analysis of variance (ANOVA). A 5-percent significance level was used for all the tests. Resin composites with 30-percent TCP filler showed the highest compressive strength and hardness values. Also, this group showed the lowest degree of conversion. Resin composites with 60-percent TCP filler showed the highest degree of conversion. However, this group showed the lowest compressive strength, depth of cure, and hardness. Resin composites with 50-percent filler showed the highest compressive modulus. Resin composites with 40-percent filler showed higher viscosity values than resin composites with 30-percent filler. In conclusion, increasing the filler level significantly reduced the compressive strength, hardness, and depth of cure, but increased the degree of conversion. Also, resin composites with the lowest filler level (30 percent) had the highest compressive strength, depth of cure, and hardness. From these results, it can be concluded that the experimental TCP-filled resin used in this study cannot be used as restorative material.Item Exercise-Induced Changes in the Cortical Bone of Growing Mice Are Bone and Gender Specific(2007-04) Wallace, Joseph M.; Rajachar, Rupak M.; Allen, Matthew R.; Bloomfield, Susan A.; Robey, Pamela G.; Young, Marian F.; Kohn, David H.Fracture risk and mechanical competence of bone are functions of bone mass and tissue quality, which in turn are dependent on the bone's mechanical environment. Male mice have a greater response to non-weight-bearing exercise than females, resulting in larger, stronger bones compared with control animals. The aim of this study was to test the hypothesis that short-term weight-bearing running during growth (21 days starting at 8 weeks of age; 30 min/day; 12 m/min; 5° incline; 7 days/week) would similarly have a greater impact on cross-sectional geometry and mechanical competence in the femora and tibiae of male mice versus females. Based on the orientation of the legs during running and the proximity of the tibia to the point of impact, this response was hypothesized to be greatest in the tibia. Exercise-related changes relative to controls were assayed by four-point bending tests, while volumetric bone mineral density and cross-sectional geometry were also assessed. The response to running was bone- and gender-specific, with male tibiae demonstrating the greatest effects. In male tibiae, periosteal perimeter, endocortical perimeter, cortical area, medial–lateral width and bending moment of inertia increased versus control mice suggesting that while growth is occurring in these mice between 8 and 11 weeks of age, exercise accelerated this growth resulting in a greater increase in bone tissue over the 3 weeks of the study. Exercise increased tissue-level strain-to-failure and structural post-yield deformation in the male tibiae, but these post-yield benefits came at the expense of decreased yield deformation, structural and tissue-level yield strength and tissue-level ultimate strength. These results suggest that exercise superimposed upon growth accelerated growth-related increases in tibial cross-sectional dimensions. Exercise also influenced the quality of this forming bone, significantly impacting structural and tissue-level mechanical properties.Item Fabrication of Poly-l-lactic Acid/Dicalcium Phosphate Dihydrate Composite Scaffolds with High Mechanical Strength-Implications for Bone Tissue Engineering(MDPI, 2015) Tanataweethum, Nida; Liu, Wai Ching; Goebel, W. Scott; Li, Ding; Chu, Tien Min; Department of Biomedical Engineering, School of Engineering and TechnologyScaffolds were fabricated from poly-l-lactic acid (PLLA)/dicalcium phosphate dihydrate (DCPD) composite by indirect casting. Sodium citrate and PLLA were used to improve the mechanical properties of the DCPD scaffolds. The resulting PLLA/DCPD composite scaffold had increased diametral tensile strength and fracture energy when compared to DCPD only scaffolds (1.05 vs. 2.70 MPa and 2.53 vs. 12.67 N-mm, respectively). Sodium citrate alone accelerated the degradation rate by 1.5 times independent of PLLA. Cytocompatibility of all samples were evaluated using proliferation and differentiation parameters of dog-bone marrow stromal cells (dog-BMSCs). The results showed that viable dog-BMSCs attached well on both DCPD and PLLA/DCPD composite surfaces. In both DCPD and PLLA/DCPD conditioned medium, dog-BMSCs proliferated well and expressed alkaline phosphatase (ALP) activity indicating cell differentiation. These findings indicate that incorporating both sodium citrate and PLLA could effectively improve mechanical strength and biocompatibility without increasing the degradation time of calcium phosphate cement scaffolds for bone tissue engineering purposes.Item First principles study of thermodynamic properties of lanthanum zirconate(2014) Guo, Xingye; Zhang, JingLanthanum zirconia (La2Zr2O7) has become an advanced thermal barrier coating material due to its low thermal conductivity and high temperature stability. In this work, the first principles calculations were used to study the thermodynamic properties of the material. Lattice parameters, bulk and shear modulus, and specific heat of La2Zr2O7 were calculated by means of density functional theory (DFT). Hydrostatic pressure-dependent elasticity constants and bulk modulus were also studied. The thermal conductivity was calculated based on the Fourier's law. The calculated properties are in excellent agreement with the experimental and calculation results in literature.
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