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Articles 271 - 300 of 33636
Full-Text Articles in Entire DC Network
Zirconium And Hafnium Interdiffusion Study In Zrb2–Hfb2 System, Yue Zhou, Ana C. Feltrin, William G. Fahrenholtz, Gregory E. Hilmas
Zirconium And Hafnium Interdiffusion Study In Zrb2–Hfb2 System, Yue Zhou, Ana C. Feltrin, William G. Fahrenholtz, Gregory E. Hilmas
Materials Science and Engineering Faculty Research & Creative Works
Interdiffusion of Zr and Hf in the diboride system was investigated. High-purity zirconium diboride (ZrB2) and hafnium diboride (HfB2) were prepared by a combination of boro-/carbothermal reduction synthesis and densification by spark plasma sintering. The bulk ceramics had relative densities of 99.3% for ZrB2 and 99.7% for HfB2, and both ceramics were phase-pure by x-ray diffraction analysis. Diffusion couples of ZrB2 and HfB2 were annealed at temperatures ranging from 2000°C to 2200°C for times from 4 to 12 h. Zr and Hf elemental concentration profiles were measured using energy dispersive spectroscopy …
Hold Paramount The Health, Safety, And Welfare Of The Public And The Planet, Daniel B. Oerther
Hold Paramount The Health, Safety, And Welfare Of The Public And The Planet, Daniel B. Oerther
Civil, Architectural and Environmental Engineering Faculty Research & Creative Works
No abstract provided.
Tip Penetration Test For Rapid In-Line Assessment Of Static Yield Stress During 3d Concrete Printing Process, Ali Fasihi, Nicolas A. Libre
Tip Penetration Test For Rapid In-Line Assessment Of Static Yield Stress During 3d Concrete Printing Process, Ali Fasihi, Nicolas A. Libre
Civil, Architectural and Environmental Engineering Faculty Research & Creative Works
The static yield stress of printable cementitious materials is a critical parameter governing the shape stability and buildability of 3D printed concrete structures. Among various testing techniques, the penetration test has emerged as a promising method for in-situ measurement of static yield stress during printing process. However, the applicability of the penetration test for in-line monitoring of static yield stress remains limited due to the necessity for substantial material thickness. To address this challenge, this study proposes a novel tip penetration test, which enables static yield stress determination without the requirement for full cone submergence, thereby facilitating assessment of thin …
Computational Characterization Of A Recently Identified Disinfection Byproduct In Drinking Water: The Chloronitramide Anion And Its Monohydrate Complex, Thufail M. Ismail, Max R. Tucker, Gregory S. Tschumper
Computational Characterization Of A Recently Identified Disinfection Byproduct In Drinking Water: The Chloronitramide Anion And Its Monohydrate Complex, Thufail M. Ismail, Max R. Tucker, Gregory S. Tschumper
Chemistry Faculty Research & Creative Works
The chloronitramide anion (ClNNO2−) was recently identified as disinfection byproduct in drinking water, and various quantum chemistry methods (CCSD(T), MP2, B3LYP, ωB97XD, and M06-2X) are employed in this study to characterize this negatively charged species and its monohydrate complex. Both vertical and adiabatic quantities indicate the excess electron is bound by 3–4 eV. Four ClNNO2− monohydrate minima were identified, each exhibiting double ionic hydrogen bonding. The computed ClNNO2−⋯H2O interaction approaches 15 kcal/mol, and it induces pronounced vibrational frequency shifts in both fragments. Natural bond orbital analysis shows a redistribution of …
Rheological And Micro Properties Of High-Viscosity Binder-Incorporated Polyphosphoric Acid And Rock Asphalt, Feng Ma, Xinye Jiang, Zhen Fu, Chongxin Zhu, Jenny Liu, Ke Shi, Yalu Wen, Yao Zhang
Rheological And Micro Properties Of High-Viscosity Binder-Incorporated Polyphosphoric Acid And Rock Asphalt, Feng Ma, Xinye Jiang, Zhen Fu, Chongxin Zhu, Jenny Liu, Ke Shi, Yalu Wen, Yao Zhang
Civil, Architectural and Environmental Engineering Faculty Research & Creative Works
To enhance the performance of high-viscosity modified asphalt (HVMA), polyphosphoric acid (PPA) and North American rock asphalt (NA-RA) were incorporated into styrene-butadiene-styrene (SBS)/crumb rubber (CR) composite modified asphalt, resulting in two distinct types of HVMA. The two HVMA types were evaluated at various dosages using a dynamic shear rheometer (DSR), bending beam rheometer (BBR), fluorescence microscope (FM), and Fourier infrared spectroscopy (FT-IR) tests. These tests provided both macroscopic and microscopic insights into their properties. The findings indicated that both PPA and NA-RA modify the asphalt's internal structure, enhancing its temperature resistance. PPA primarily improved high-Temperature performance, while NA-RA enhanced low-Temperature …
A Rapid Field Moisture Measurement Unit For Compaction Acceptance Of Unbound Materials, Chuanjun Liu, Xiong Zhang, Jenny Liu
A Rapid Field Moisture Measurement Unit For Compaction Acceptance Of Unbound Materials, Chuanjun Liu, Xiong Zhang, Jenny Liu
Civil, Architectural and Environmental Engineering Faculty Research & Creative Works
The moisture content (MC) was a critical parameter that needed to be monitored in geomaterial compaction. Nuclear density gauges (NDGs) had been the practice in MC and density measurement for decades but had become less desirable due to cost, regulatory, and safety concerns. Meanwhile, lightweight deflectometers (LWDs), proposed as an alternative to NDGs, did not have a function of MC measurement. This study aimed to identify a rapid field moisture analyzer to work with LWDs for evaluating the compaction acceptance of unbound materials in situ. The study started with evaluating the effectiveness and practicability of two existing moisture analyzers recommended …
Influence Of Wicking Geotextile Installation On Moisture Migration In Silt Under Rainfall Infiltration, Yipeng Guo, Dahao Zou, Min Hu, Xiong Zhang, Fang Xu, Yongjie Zhang, Jiejing Chen
Influence Of Wicking Geotextile Installation On Moisture Migration In Silt Under Rainfall Infiltration, Yipeng Guo, Dahao Zou, Min Hu, Xiong Zhang, Fang Xu, Yongjie Zhang, Jiejing Chen
Civil, Architectural and Environmental Engineering Faculty Research & Creative Works
Silt is widely used in subgrade construction in the middle and lower reaches of the Yellow River in China due to limited availability of high-quality fill. However, its high moisture sensitivity and low strength often lead to pumping, settlement, and deformation. This study investigates the hydraulic performance of a wicking geotextile in silt under simulated rainfall infiltration using one-dimensional soil column experiments. Three installation configurations were evaluated: (i) a control sample (CS) without geotextile, (ii) an embedded sample (ES) with the geotextile fully installed as a capillary barrier, and (iii) a surface-exposed sample (SES) with the geotextile extended to the …
A Note On Sufficient Dimension Folding For Regression Mean Function With Categorical Predictors, Bilin Zeng, Akim Adekpedjou, Xuerong Meggie Wen
A Note On Sufficient Dimension Folding For Regression Mean Function With Categorical Predictors, Bilin Zeng, Akim Adekpedjou, Xuerong Meggie Wen
Mathematics and Statistics Faculty Research & Creative Works
Multi-dimensional arrays are referred to as tensors. Tensor-valued predictors are commonly encountered in modern biomedical applications, such as electroencephalogram (EEG), magnetic resonance imaging (MRI), functional MRI (fMRI), diffusion-weighted MRI, and longitudinal health data. In survival analysis, it is both important and challenging to integrate clinically relevant information, such as gender, age, and disease state along with medical imaging tensor data or longitudinal health data to predict disease outcomes. Most existing higher-order sufficient dimension reduction regressions for matrix- or array-valued data focus solely on tensor data, often neglecting established clinical covariates that are readily available and known to have predictive value. …
February 2026 Cafe Newsletter, Missouri University Of Science And Technology
February 2026 Cafe Newsletter, Missouri University Of Science And Technology
CAFE Faculty Newsletters
Center for Advancing Faculty Excellence (CAFE) newsletter February 2026
Generative Artificial Intelligence In Aircraft Design Optimization, Xiaosong Du
Generative Artificial Intelligence In Aircraft Design Optimization, Xiaosong Du
Mechanical and Aerospace Engineering Faculty Research & Creative Works
Aircraft design optimization is essential for improving aircraft performance (such as reduced fuel consumption and lowered noise), which leads to more efficient, sustainable, and affordable aircraft. Conventional aircraft design adopts physics-based simulation models, but iteratively evaluating simulation models is computationally intensive, or even practically impossible. Meanwhile, artificial intelligence (AI) emerges as a revolutionary game changer in the modern engineering industry, including aircraft design optimization. Generative AI (genAI), one of the groundbreaking AI methods, has been advancing aircraft design optimization from various aspects, including intelligent parameterization, predictive modeling, training facilitation, and constraints handling. However, there is a lack of a review …
Electric Dipole Forbidden, Quadrupole Allowed Transitions In The Pure Rotational Spectrum Of Cyclopropylchloromethyldifluorosilane, Alexander R. Davies, Abanob G. Hanna, Alma Lutas, Gamil A. Guirgis, S. A. Cooke, Garry S. Grubbs
Electric Dipole Forbidden, Quadrupole Allowed Transitions In The Pure Rotational Spectrum Of Cyclopropylchloromethyldifluorosilane, Alexander R. Davies, Abanob G. Hanna, Alma Lutas, Gamil A. Guirgis, S. A. Cooke, Garry S. Grubbs
Chemistry Faculty Research & Creative Works
In a recent publication, some electric dipole forbidden, quadrupole allowed ΔJ = +2 and x-type transitions were observed in the chirped-pulse Fourier transform microwave spectrum of two conformations of cyclopropylchloromethyldifluorosilane. Many of these transitions arise from a handful of mixed states and mechanisms are proposed through which these transitions become weakly allowed. Observations of electric dipole forbidden, quadrupole allowed transitions in rotational spectra are unusual for molecules which contain a chlorine nucleus owing to the small quadrupole moment of 35Cl and 37Cl; thus, we believe we are the first to observe x-type transitions arising from perturbations caused by …
Co-Calcination Of Limestone And Clay Enhances The Performance Of Limestone Calcined Clay Cement (Lc3), Oluwadamilare Charles Adesina, Sahil Surehali, Avinaya Tripathi, Kayla Lauren Lee, Bryan K. Aylas-Paredes, Aditya Kumar, Narayanan Neithalath
Co-Calcination Of Limestone And Clay Enhances The Performance Of Limestone Calcined Clay Cement (Lc3), Oluwadamilare Charles Adesina, Sahil Surehali, Avinaya Tripathi, Kayla Lauren Lee, Bryan K. Aylas-Paredes, Aditya Kumar, Narayanan Neithalath
Materials Science and Engineering Faculty Research & Creative Works
Limestone-calcined clay cements (LC3) reduce the environmental impact of cement production and accelerate the industry transition toward carbon neutrality. While conventional LC3 with 50% clinker replacement (LC3-50) demonstrate long-term performance comparable to ordinary Portland cement (OPC) in concrete, early-age performance is generally compromised. This study explores for the first time, joint thermal treatment—that is, co-calcination—of limestone (LS) and bulk kaolinitic clay in mass ratios of 1:1 to 1:4 under a calcination regime specifically designed to ensure activation of the clay mineral. The co-calcination converts a small fraction of LS to metastable CaO, thus providing an …
Inclusion Engineering Through Deoxidation Practice Optimization For Enhanced Mechanical Properties Of Cast Cr-Ni-Mo Steel, Kingsley T. Amatanweze, Viraj A. Athavale, Simon Lekakh, Ronald J. O'Malley, Laura N. Bartlett
Inclusion Engineering Through Deoxidation Practice Optimization For Enhanced Mechanical Properties Of Cast Cr-Ni-Mo Steel, Kingsley T. Amatanweze, Viraj A. Athavale, Simon Lekakh, Ronald J. O'Malley, Laura N. Bartlett
Materials Science and Engineering Faculty Research & Creative Works
Deoxidation is an integral part of steelmaking, as it determines steel castability, cleanliness, and porosity levels of the final product. Steel quality is critical to its performance and can be sabotaged by impurities such as non-metallic inclusions and porosity. This study investigates the effects of four distinct deoxidation practices, using Al, Al-Ca, Zr-Ca, and Mn-Si respectively, on tensile strength, tensile ductility and impact toughness of a Cr-Ni-Mo steel. These deoxidation reactions were modeled on a commercially available thermodynamic software and possible inclusion product phases were predicted. The casting samples were studied on a scanning electron microscope (SEM) utilizing energy dispersive …
Post-Calcium Treatment Evolution Of Alumina (Al2o3) Inclusions Morphology, Naziru I. Fuseini, Ronald J. O'Malley, Todd P. Sander, Jeffrey D. Smith, Haiming Wen, Laura N. Bartlett
Post-Calcium Treatment Evolution Of Alumina (Al2o3) Inclusions Morphology, Naziru I. Fuseini, Ronald J. O'Malley, Todd P. Sander, Jeffrey D. Smith, Haiming Wen, Laura N. Bartlett
Materials Science and Engineering Faculty Research & Creative Works
The post-calcium morphological evolution of Al2O3 inclusions formed under high-oxygen supersaturation (~1000 ppm) was investigated through time-resolved sampling and quenching of aluminum-killed, calcium-treated steel. SEM-EDS analysis revealed the formation of angular two-phase CaO·Al2O3–CaS inclusions within 1 minute, gradually transforming into spherical liquid 12CaO·7Al2O3 and CaO·Al2O3 with a thin CaS layer around it. The 3D morphology of the CaS phase of the complex CaO·Al2O3–CaS inclusions observed at 1 minute appeared as a cone-cap attached to the partially modified CaO·Al2O3. This …
Thermodynamic Analysis Of Metal Segregation In Two Metal Boride-Carbide Ceramics Containing V With Cr, Hf, Ti, Or Zr, Ana C. Feltrin, Simon Divilov, Gregory E. Hilmas, Stefano Curtarolo, William G. Fahrenholtz
Thermodynamic Analysis Of Metal Segregation In Two Metal Boride-Carbide Ceramics Containing V With Cr, Hf, Ti, Or Zr, Ana C. Feltrin, Simon Divilov, Gregory E. Hilmas, Stefano Curtarolo, William G. Fahrenholtz
Materials Science and Engineering Faculty Research & Creative Works
Dual-phase carbide-boride ceramics in different vanadium-Me (Me = Cr, Hf, Ti, and Zr) binary systems were synthesized by boro/carbothermal reduction under stoichiometric and carbon-deficient conditions and densified by spark plasma sintering. Thermodynamic analysis was used to evaluate the influence of composition on the phase stability and metal segregation between phases, along with the resulting effects on microstructure and hardness. Pairing vanadium with Group IV elements (Hf, Ti, and Zr) consistently formed one boride and one carbide phase, while the Cr-V system formed a monoboride phase and a carbon-deficient carbide. Metal segregation trends depended on composition. Vanadium preferentially segregated to the …
Leveraging Molecular Mechanisms Of Desorption To Enhance Pfas Bioavailability In Contaminated Soils, Husam Kafeenah, Margaret D. Taiwo, Patrica Ivy Agorsor, Michael O. Eze
Leveraging Molecular Mechanisms Of Desorption To Enhance Pfas Bioavailability In Contaminated Soils, Husam Kafeenah, Margaret D. Taiwo, Patrica Ivy Agorsor, Michael O. Eze
Chemistry Faculty Research & Creative Works
Per- and polyfluoroalkyl substances (PFAS) are known for their strong binding properties to soil matrices owing to their amphiphilic properties. While most studies focus on the search for novel PFAS bio degraders, our knowledge of sustainable biomolecules that could drive PFAS desorption and make them more bioavailable is limited. This study investigated the effectiveness of rhamnolipids and organic acids in desorbing PFAS compounds from contaminated soil. Rhamnolipids (25 mg/L) significantly enhanced the release of PFAS compounds from soil, achieving up to 90 % desorption. Acetic acid provided 60–90 % desorption efficiency for most of the PFAS studied, except for PFDA …
Examining The Effect Of Newcomers’ Adaptability On Proximal And Distal Outcomes Of Organizational Socialization, Vahe Permzadian, Mishra Vipanchi
Examining The Effect Of Newcomers’ Adaptability On Proximal And Distal Outcomes Of Organizational Socialization, Vahe Permzadian, Mishra Vipanchi
Psychological Science Faculty Research & Creative Works
We investigate the role of individual adaptability (I-ADAPT) in newcomer socialization by exploring its effects on the proximal and distal outcomes of the work-role transition process. Based on I-ADAPT theory, our study assesses how I-ADAPT affects the three key indicators of newcomer adjustment (i.e., role clarity, task mastery, and social acceptance) and, in turn, their effect on the distal socialization outcomes of job satisfaction, turnover intention, and work withdrawal. Using a 2-wave prospective design, we collected data from 280 newcomers recruited through Prolific. Results indicated that I-ADAPT dimensions differentially predict newcomer adjustment, with learning adaptability affecting role clarity, uncertainty adaptability …
Exploring Public Opinions On Mining Governance And Preferences For Interventions To Enhance Battery Mineral Access, Mahelet G. Fikru, Sreeja Koppera, Nhien Nguyen
Exploring Public Opinions On Mining Governance And Preferences For Interventions To Enhance Battery Mineral Access, Mahelet G. Fikru, Sreeja Koppera, Nhien Nguyen
Economics Faculty Research & Creative Works
Based on an online survey of 1200 individuals, we examine support for new mining projects in the United States, opinions on mining governance, and preferences for various strategies to access battery minerals. We find support for domestic mining more so at the national (54 % support) than local level (32 % support), with a strong emphasis on environmental protection and multi-level governance. Respondents generally support government intervention to secure access to battery minerals, with over half agreeing with subsidizing electric vehicle (EV) producers and consumers to prioritize the use of domestic minerals in EV batteries. However, there is measurable opposition …
Hybrid Data-Driven Cement-Stabilized Soil Design: An Integration Of Machine Learning, Multi-Objective Optimization, And Life Cycle Assessment, Chikezie Chimere Onyekwena, Yunli Li, Ikenna J. Okeke, Ubani Obinna Uzodimma, Monday Uchenna Okoronkwo, Wenping Wu
Hybrid Data-Driven Cement-Stabilized Soil Design: An Integration Of Machine Learning, Multi-Objective Optimization, And Life Cycle Assessment, Chikezie Chimere Onyekwena, Yunli Li, Ikenna J. Okeke, Ubani Obinna Uzodimma, Monday Uchenna Okoronkwo, Wenping Wu
Chemical and Biochemical Engineering Faculty Research & Creative Works
Soil stabilization is crucial in geotechnical engineering, yet conventional methods are often time-consuming, resource-intensive, and environmentally unsustainable. Despite growing interest in Machine Learning (ML) and optimization tools for mix design, few studies integrate these methods with decision-making techniques and environmental assessment to support practical implementation. This study proposes a hybrid data-driven framework for predicting strength, optimizing mix compositions, and evaluating environmental impacts via life cycle assessment of cement-stabilized soft soils. Six ML models were evaluated, and the top-performing eXtreme Gradient Boosting (XGB) model was further improved using the Grey Wolf Optimizer (GWO). The optimized XGB-GWO model, integrated with a polynomial …
Performance And Mechanistic Insights Into Cement Systems Modified With Wastewater-Recovered Struvite, Ugochukwu Ewuzie, Rupack R. Halder, Abdulkareem O. Yusuf, Abiodun A. Saka, Godwin I. Ogbuehi, Titus C. Egbosiuba, Damilola A. Daramola, Monday Uchenna Okoronkwo
Performance And Mechanistic Insights Into Cement Systems Modified With Wastewater-Recovered Struvite, Ugochukwu Ewuzie, Rupack R. Halder, Abdulkareem O. Yusuf, Abiodun A. Saka, Godwin I. Ogbuehi, Titus C. Egbosiuba, Damilola A. Daramola, Monday Uchenna Okoronkwo
Chemical and Biochemical Engineering Faculty Research & Creative Works
Struvite, the stable hydration product and primary strength phase in magnesium ammonium phosphate cement (MAPC), derived from wastewater treatment, has recently been utilized as a sustainable additive to Portland cement (PC). However, its impacts on cement hydration kinetics, pore refinement, rheology, and the mechanisms underlying these processes have not been comprehensively studied. This study developed Portland cement-struvite (PCS) systems by replacing PC with 3–20 % struvite (ST wt.%: PCS3–PCS20) and evaluated these processes using isothermal calorimetry, 3D micro-computed tomography (μXCT), time-dependent rheometry, X-ray diffraction (XRD), and Fourier-transform infrared spectroscopy (FTIR), and the Krstulović-Dabić (K-D) model. The FTIR/XRD confirmed the coexistence …
Nanocatalytic Enhancement Of Local Heat Transfer In Continuous-Flow Thermal Reactors, Nasser Zouli, Nujud Maslamani, Ayman Yousef, Muthanna H. Al-Dahhan
Nanocatalytic Enhancement Of Local Heat Transfer In Continuous-Flow Thermal Reactors, Nasser Zouli, Nujud Maslamani, Ayman Yousef, Muthanna H. Al-Dahhan
Chemical and Biochemical Engineering Faculty Research & Creative Works
An experimental investigation was conducted to evaluate the thermal conductivity (TC) and local heat-transfer coefficients (LHTCs) of nanofluids containing alumina (Al2O3), hematite (Fe2O3), and copper oxide (CuO) nanoparticles dispersed in deionized water. A newly developed non-invasive LHTC probe was integrated into the inner wall of the test section to enable direct quantification of interfacial heat-transfer performance. The measurements were conducted under laminar and turbulent flow conditons across Reynolds numbers ranging from 1000 to 10,000. The selected nanoparticles were chosen based on their high intrinsic thermal conductivity, cost effectiveness, and, in the case …
Hybrid Sensing For Near-Earth Space Domain Awareness: Leveraging Space-Based Assets For Augmenting Optical Ground Observations, Smriti Nandan Paul, Hang Woon Lee
Hybrid Sensing For Near-Earth Space Domain Awareness: Leveraging Space-Based Assets For Augmenting Optical Ground Observations, Smriti Nandan Paul, Hang Woon Lee
Mechanical and Aerospace Engineering Faculty Research & Creative Works
Because of recent advancements in space technologies, easier and more economical access to space, and an increase in commercial interests, the near-Earth space environment has witnessed an exploding number of objects being put into orbit. In particular, the low Earth orbit (LEO) region is at an increased risk of orbital collisions from large satellite constellation projects. Thus, monitoring LEO objects for space domain awareness and space traffic management has become increasingly imperative. In this paper, we use the concept of limited-CDF (cumulative distribution function) surface and mutual information for designing sensor tasking algorithms focusing on regular observation of known catalog …
Machine Learning In Peak Demand Forecasting: Foundations, Trends, And Insights, Shuang Dai, Fanlin Meng, Hongsheng Dai, Qian Wang, Xizhong Chen, Wenlei Bai, Peizhi Shi, Richard Allmendinger, Yuchen Zhang, Jian Liu
Machine Learning In Peak Demand Forecasting: Foundations, Trends, And Insights, Shuang Dai, Fanlin Meng, Hongsheng Dai, Qian Wang, Xizhong Chen, Wenlei Bai, Peizhi Shi, Richard Allmendinger, Yuchen Zhang, Jian Liu
Electrical and Computer Engineering Faculty Research & Creative Works
Peak demand forecasting involves predicting the maximum electricity demand within a specific period, which plays a key role in maintaining the efficiency and stability of power systems. The rapid evolution of power systems, driven by advanced metering infrastructure, local energy applications such as electric vehicles, and the increasing adoption of intermittent renewable energy, has introduced greater randomness and reduced predictability in peak demand. Given the pressing need to address more diverse implementation requirements across different contexts, accurate and reliable peak demand forecasting has become increasingly important. To the best of our knowledge, this study is the first to provide a …
Recent Advances Toward Damage-Tolerant 3d-Printed Titanium Alloys: Alloy Design Perspective, Saeid Alipour, Arezoo Emdadi, Ju Li
Recent Advances Toward Damage-Tolerant 3d-Printed Titanium Alloys: Alloy Design Perspective, Saeid Alipour, Arezoo Emdadi, Ju Li
Materials Science and Engineering Faculty Research & Creative Works
Twenty-year uninterrupted endeavor of titanium alloys printing has opened up a new paradigm in metal additive manufacturing (AM) to fabricate engineering components with required strength–density–corrosion combinations. Despite the remarkable advances in titanium AM, controlling the grain structure to print the parts with engineered microstructures, tailored mechanical properties, and minimum anomalies remains challenging. Numerous approaches have been implemented to address this challenge, such as printing parameter control, post-AM heat treatments, and thermomechanical processing. In addition to the aforementioned conventional approaches, novel techniques have been proposed that require employing hybrid manufacturing or developing the printer itself. One of the novel pathways in …
An Improved United-Atom Potential For Molecular Dynamics Simulation Of Saturated Properties Of N-Alkanes, Wazih Tausif, Jordan Hartfield, Alex George, Zhi Liang
An Improved United-Atom Potential For Molecular Dynamics Simulation Of Saturated Properties Of N-Alkanes, Wazih Tausif, Jordan Hartfield, Alex George, Zhi Liang
Mechanical and Aerospace Engineering Faculty Research & Creative Works
Multiple united-atom (UA) potential models have been developed in the literature to reproduce experimental saturated properties of n-alkanes using Monte Carlo simulations. When these UA potentials are employed in molecular dynamics (MD) simulations, MD simulations often give relatively poor predictions of saturated properties of n-alkanes, particularly the saturated vapor densities, due to the challenges in accurate calculation of long-range intermolecular forces beyond the cutoff distance in an inhomogeneous system. In this work, a new set of UA Lennard-Jones (LJ) interaction parameters for n-alkanes is proposed to reproduce the saturated properties, including saturated liquid and vapor densities (ρf and ρ …
Heterogeneous Catalysis Of Large Biomolecules: Insights From Platinum Particle Size In Nad+Regeneration, Jianwei Li, Samuel Robertshaw, Shouying Huang, Shelley D. Minteer, Xiaodong Wang
Heterogeneous Catalysis Of Large Biomolecules: Insights From Platinum Particle Size In Nad+Regeneration, Jianwei Li, Samuel Robertshaw, Shouying Huang, Shelley D. Minteer, Xiaodong Wang
Chemistry Faculty Research & Creative Works
Nicotinamide adenine dinucleotide (NAD+) cofactor regeneration is essential for enabling dehydrogenase-promoted biosynthesis for value-added chemicals. Heterogeneous catalytic cofactor regeneration, using supported metal catalysts, is an emerging approach and has shown great promise. However, mechanistic insight remains largely unexplored. In this work, a series of silica-supported platinum (Pt) catalysts have been prepared for NAD+ cofactor regeneration, to understand the roles of Pt particle size and structure. A turnover frequency (TOF) 'volcano plot' was obtained for Pt clusters in the range of 2.2–7.1 nm, with the maximum TOF (136 h−1) observed at 5.6 nm. Selective Pt site …
Ultrasonic Extraction-Based Analysis Of Persistent Organic Pollutants In Blubber From False Killer Whales, Michael O. Eze, Eva Borras, Mitchell M. Mccartney, Don R. Bergfelt, Kristi L. West, Sarah E. Hooper, Cristina E. Davis
Ultrasonic Extraction-Based Analysis Of Persistent Organic Pollutants In Blubber From False Killer Whales, Michael O. Eze, Eva Borras, Mitchell M. Mccartney, Don R. Bergfelt, Kristi L. West, Sarah E. Hooper, Cristina E. Davis
Chemistry Faculty Research & Creative Works
In view of the toxic effects of persistent organic pollutants (POPs), fast and effective assessment of their concentrations in marine mammals is important for understanding individual and population-level health impacts. This study developed an ultrasonic-based method that is less time-consuming, uses minimal solvent, and thus is more sustainable than the gold standard Soxhlet method for accurate analysis of organochlorine pesticides (OCs), polychlorinated biphenyls (PCBs), and benzene hexachlorides (BHC) in false killer whale blubber. This method was developed by comparing concentrations of POPs obtained using the traditional Soxhlet and novel ultrasonic extraction methods using blubber from false killer whales (n = …
Energetics Analysis Of Solitary Waves Using A Multi-Layer Model, Hunter Boswell, Frank D. Han, Guirong Yan, Wouter Mostert
Energetics Analysis Of Solitary Waves Using A Multi-Layer Model, Hunter Boswell, Frank D. Han, Guirong Yan, Wouter Mostert
Civil, Architectural and Environmental Engineering Faculty Research & Creative Works
This study investigates the performance of a vertically-Lagrangian multi-layer model on numerically simulating shoaling and breaking two-dimensional solitary waves during both the breaking and post-breaking processes. The energy dissipation of the breaking event for the multi-layer waves is analyzed and compared to prior direct numerical simulation work with the same bathymetric and wave cases. It shows very similar data collapse to shallow-water inertial theory. For post-breaking behavior, bore characteristics are compared to an experimental study of bores formed from breaking solitary waves and similar results are found. While the multi-layer method was not found to behave sufficiently well for direct …
Synergistic V2ctₓ Mxene–Pani Hybrid With Expanded Interlayers For Ultrastable And High-Rate Pseudocapacitive Energy Storage, Amideddin Nouralishahi, Maryam Sharifi Paroushi, Mansour Razavi, Amarachi Clare Nnachor, Harish Singh, Manashi Nath
Synergistic V2ctₓ Mxene–Pani Hybrid With Expanded Interlayers For Ultrastable And High-Rate Pseudocapacitive Energy Storage, Amideddin Nouralishahi, Maryam Sharifi Paroushi, Mansour Razavi, Amarachi Clare Nnachor, Harish Singh, Manashi Nath
Chemistry Faculty Research & Creative Works
Recently, MXene-conducting polymer hybrids have emerged as promising electrode materials for sustainable energy storage applications, owing to their impressive electrochemical properties. Herein, we report the synthesis of vanadium carbide MXene nanoparticles (V2CTx-MXene) using innovative Spark Plasma Sintering (SPS) technology followed by exfoliation steps. The V2CTx nanoparticles were incorporated with PANI (MXene-PANI) by electrochemical polymerization of aniline monomers in the presence of V2CTx nanolayers, to be used as a highly efficient material for charge storage application. PANI nanofibers form a conductive and porous architecture, which intercalates the V2CTx nanoflakes. The resulting structure increases the interlayer spacing …
Influence Of Co2 Curing On Carbonation Depth, Phase Composition, And Micro-Mechanical Properties Of Fbc Ash-Blended Cementitious Materials, Heejung Jun, Seongho Han, Sanghwon Wi, Jinyoung Yoon
Influence Of Co2 Curing On Carbonation Depth, Phase Composition, And Micro-Mechanical Properties Of Fbc Ash-Blended Cementitious Materials, Heejung Jun, Seongho Han, Sanghwon Wi, Jinyoung Yoon
Civil, Architectural and Environmental Engineering Faculty Research & Creative Works
This study investigates the physicochemical and mechanical performance of cementitious composites incorporating fluidized bed combustion (FBC) ash under accelerated carbon dioxide (CO2) curing. FBC ash, due to its high contents of free calcium oxide (CaO) and sulfate (SO3), has been reported to cause challenges, such as volume instability and lower early-age strength. To address these limitations, CO2 curing was applied to promote accelerated carbonation and stabilize the hydration products. Cement paste and mortar samples, made with up to 40 % by cement weight replacement with FBC ash (labelled CF), were subjected to either CO2 curing …