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Full-Text Articles in Engineering

In-Situ Gold-Ceria Nanoparticles: Superior Optical Fluorescence Quenching Sensor For Dissolved Oxygen, Nader Shehata, Ishac Kandas, Effat Samir Feb 2020

In-Situ Gold-Ceria Nanoparticles: Superior Optical Fluorescence Quenching Sensor For Dissolved Oxygen, Nader Shehata, Ishac Kandas, Effat Samir

Electrical & Computer Engineering Faculty Publications

Cerium oxide (ceria) nanoparticles (NPs) have been proved to be an efficient optical fluorescent material through generating visible emission (~530 nm) under violet excitation. This feature allowed ceria NPs to be used as an optical sensor via the fluorescence quenching Technique. In this paper, the impact of in-situ embedded gold nanoparticles (Au NPs) inside ceria nanoparticles was studied. Then, gold–ceria NPs were used for sensing dissolved oxygen (DO) in aqueous media. It was observed that both fluorescence intensity and lifetime were changed due to increased concentration of DO. Added gold was found to enhance the sensitivity of ceria to DO …


Interfacial Current Distribution Between Helium Plasma Jet And Water Solution, Sui Wang, Dingxin Liu, Zifeng Wang, Yifan Liu, Qiaosong Li, Xiaohua Wang, Michael G. Kong, Mingzhe Rong Jan 2020

Interfacial Current Distribution Between Helium Plasma Jet And Water Solution, Sui Wang, Dingxin Liu, Zifeng Wang, Yifan Liu, Qiaosong Li, Xiaohua Wang, Michael G. Kong, Mingzhe Rong

Bioelectrics Publications

The plasma-liquid interaction holds great importance for a number of emerging applications such as plasma biomedicine, yet a main fundamental question remains about the nature of the physiochemical processes occurring at the plasma-liquid interface. In this paper, the interfacial current distribution between helium plasma jet and water solution was measured for the first time by means of the splitting electrode method, which was borrowed from the field of arc plasma. For a plasma plume in continuous mode, it was found that the mean absolute current distribution at the plasma-liquid interface typically had an annular shape. This shape could be affected …


Recent Developments In The Pyscf Program Package, Qiming Sun, Xing Zhang, Samragni Banerjee, Peng Bao, Marc Barbry, Nick S. Blunt, Nikolay A. Bogdanov, George H. Booth, Jia Chen, Zhi-Hao Cui, Janus J. Eriksen, Yang Gao, Sheng Gun, Jan Hermann, Matthew R. Hermes, Kevin Koh, Peter Koval, Susi Lehtola, Zhendong Li, Junzi Liu, Narbe Mardirossian, James D. Mcclain, Mario Motta, Bastien Mussard, Hung Q. Pham, Artem Pulkin, Wirawan Purwanto, Paul J. Robinson, Enrico Ronca, Elvira R. Sayfutyarova, Maximillian Scheurer, Henry F. Schurkus, James E.T. Smith, Chong Sun, Shi-Ning Sun, Shiv Upadhyay, Lucas K. Wagner, Xiao Wang, Alec White, James Daniel Whitfield, Mark J. Williamson, Sebastian Wouters, Jun Yang, Jason M. Yu, Tianyu Zhu, Timothy C. Berkelbach, Sandeep Sharma, Alexander Yu Sokolov, Garnet Kin-Lic Chan Jan 2020

Recent Developments In The Pyscf Program Package, Qiming Sun, Xing Zhang, Samragni Banerjee, Peng Bao, Marc Barbry, Nick S. Blunt, Nikolay A. Bogdanov, George H. Booth, Jia Chen, Zhi-Hao Cui, Janus J. Eriksen, Yang Gao, Sheng Gun, Jan Hermann, Matthew R. Hermes, Kevin Koh, Peter Koval, Susi Lehtola, Zhendong Li, Junzi Liu, Narbe Mardirossian, James D. Mcclain, Mario Motta, Bastien Mussard, Hung Q. Pham, Artem Pulkin, Wirawan Purwanto, Paul J. Robinson, Enrico Ronca, Elvira R. Sayfutyarova, Maximillian Scheurer, Henry F. Schurkus, James E.T. Smith, Chong Sun, Shi-Ning Sun, Shiv Upadhyay, Lucas K. Wagner, Xiao Wang, Alec White, James Daniel Whitfield, Mark J. Williamson, Sebastian Wouters, Jun Yang, Jason M. Yu, Tianyu Zhu, Timothy C. Berkelbach, Sandeep Sharma, Alexander Yu Sokolov, Garnet Kin-Lic Chan

University Administration Publications

PySCF is a Python-based general-purpose electronic structure platform that supports first-principles simulations of molecules and solids as well as accelerates the development of new methodology and complex computational workflows. This paper explains the design and philosophy behind PySCF that enables it to meet these twin objectives. With several case studies, we show how users can easily implement their own methods using PySCF as a development environment. We then summarize the capabilities of PySCF for molecular and solid-state simulations. Finally, we describe the growing ecosystem of projects that use PySCF across the domains of quantum chemistry, materials science, machine learning, and …


Tunable-Focus Liquid Lens Through Charge Injection, Shizhi Qian, Wenxiang Shi, Huai Zheng, Zhaohui Liu Jan 2020

Tunable-Focus Liquid Lens Through Charge Injection, Shizhi Qian, Wenxiang Shi, Huai Zheng, Zhaohui Liu

Mechanical & Aerospace Engineering Faculty Publications

Liquid lenses are the simplest and cheapest optical lenses, and various studies have been conducted to develop tunable-focus liquid lenses. In this study, a simple and easily implemented method for achieving tunable-focus liquid lenses was proposed and experimentally validated. In this method, charges induced by a corona discharge in the air were injected into dielectric liquid, resulting in “electropressure” at the interface between the air and the liquid. Through a 3D-printed U-tube structure, a tunable-focus liquid lens was fabricated and tested. Depending on the voltage, the focus of the liquid lens can be adjusted in large ranges (−∞ to −9 …


Flux Expulsion In Niobium Superconducting Radio-Frequency Cavities Of Different Purity And Essential Contributions To The Flux Sensitivity, P. Dhakal, Gianluigi Ciovati, Alex Gurevich Jan 2020

Flux Expulsion In Niobium Superconducting Radio-Frequency Cavities Of Different Purity And Essential Contributions To The Flux Sensitivity, P. Dhakal, Gianluigi Ciovati, Alex Gurevich

Physics Faculty Publications

Magnetic flux trapped during the cooldown of superconducting radio-frequency cavities through the transition temperature due to incomplete Meissner state is known to be a significant source of radio-frequency losses. The sensitivity of flux trapping depends on the distribution and the type of defects and impurities which pin vortices, as well as the cooldown dynamics when the cavity transitions from a normal to superconducting state. Here we present the results of measurements of the flux trapping sensitivity on 1.3 GHz elliptical cavities made from large-grain niobium with different purity for different cooldown dynamics and surface treatments. The results show that lower …


Electron Tunneling And X-Ray Photoelectron Spectoscopy Studies Of The Superconductiong Properties Of Nitrogen-Doped Niobium Resonator Cavities, Eric M. Lechner, Basu Dev Oli, Junki Makita, Gianluigi Ciovati, Alex Gurevich, Maria Iavarone Jan 2020

Electron Tunneling And X-Ray Photoelectron Spectoscopy Studies Of The Superconductiong Properties Of Nitrogen-Doped Niobium Resonator Cavities, Eric M. Lechner, Basu Dev Oli, Junki Makita, Gianluigi Ciovati, Alex Gurevich, Maria Iavarone

Physics Faculty Publications

We use scanning tunneling microscopy (STM) and spectroscopy (STS), and x-ray photoelectron spectroscopy (XPS) to investigate the effect of nitrogen doping on the surface electronic and chemical structures of cutouts from superconducting Nb radio-frequency cavities. The goal of this work is to get insights into the fundamental physics and materials mechanisms behind the striking decrease of the surface resistance with the radio-frequency magnetic field, which has been observed on N-doped Nb cavities. Our XPS measurements reveal significantly more oxidized Nb 3d states and a thinner metallic suboxide layer on the N-doped Nb surfaces, which is also confirmed by tunneling spectroscopy …


Superconductivity In La₂Ni₂In, Jannis Maiwald, Igor I. Mazin, Alex Gurevich, Meigan Aronson Jan 2020

Superconductivity In La₂Ni₂In, Jannis Maiwald, Igor I. Mazin, Alex Gurevich, Meigan Aronson

Physics Faculty Publications

We report here the properties of single crystals of La2Ni2In. Electrical resistivity and specific heat measurements concur with the results of density functional theory calculations, finding that La2Ni2In is a weakly correlated metal, where the Ni magnetism is almost completely quenched, leaving only a weak Stoner enhancement of the density of states. Superconductivity is observed at temperatures below 0.9 K. A detailed analysis of the field and temperature dependencies of the resistivity, magnetic susceptibility, and specific heat at the lowest temperatures reveals that La2Ni2In is a dirty type-II …


Attainment Of Rigorous Thermodynamic Consistency And Surface Tension In Single-Component Pseudopotential Lattice Boltzmann Models Via A Customized Equation Of State, Cheng Peng, Luis F. Ayala, Zhicheng Wang, Orlando M. Ayala Jan 2020

Attainment Of Rigorous Thermodynamic Consistency And Surface Tension In Single-Component Pseudopotential Lattice Boltzmann Models Via A Customized Equation Of State, Cheng Peng, Luis F. Ayala, Zhicheng Wang, Orlando M. Ayala

Engineering Technology Faculty Publications

The lack of thermodynamic consistency is a well-recognized problem in the single-component pseudopotential lattice Boltzmann models which prevents them from replicating accurate liquid and vapor phase densities; i.e., current models remain unable to exactly match coexisting density values predicted by the associated thermodynamic model. Most of the previous efforts had attempted to solve this problem by introducing tuning parameters, whose determination required empirical trial and error until acceptable thermodynamic consistency was achieved. In this study, we show that the problem can be alternatively solved by properly designing customized equations of state (EOSs) that replace any cubic EOS of choice during …


Special Section Guest Editorial: Machine Learning In Optics, Jonathan Howe, Travis Axtell, Khan Iftekharuddin Jan 2020

Special Section Guest Editorial: Machine Learning In Optics, Jonathan Howe, Travis Axtell, Khan Iftekharuddin

Electrical & Computer Engineering Faculty Publications

This guest editorial summarizes the Special Section on Machine Learning in Optics.


Gold/Qds-Embedded-Ceria Nanoparticles: Optical Fluorescence Enhancement As A Quenching Sensor, Nader Shehata, Effat Samir, Ishac Kandas Jan 2020

Gold/Qds-Embedded-Ceria Nanoparticles: Optical Fluorescence Enhancement As A Quenching Sensor, Nader Shehata, Effat Samir, Ishac Kandas

Electrical & Computer Engineering Faculty Publications

This work focuses on improving the fluorescence intensity of cerium oxide (ceria) nanoparticles (NPs) through added plasmonic nanostructures. Ceria nanoparticles are fluorescent nanostructures which can emit visible fluorescence emissions under violet excitation. Here, we investigated different added plasmonic nanostructures, such as gold nanoparticles (Au NPs) and Cadmium sulfide/selenide quantum dots (CdS/CdSe QDs), to check the enhancement of fluorescence intensity emissions caused by ceria NPs. Different plasmonic resonances of both aforementioned nanostructures have been selected to develop optical coupling with both fluorescence excitation and emission wavelengths of ceria. In addition, different additions whether in-situ or post-synthesis have been investigated. We found …


Thermoelectric Porous Mof Based Hybrid Materials, Engelbert Redel, Helmut Baumgart Jan 2020

Thermoelectric Porous Mof Based Hybrid Materials, Engelbert Redel, Helmut Baumgart

Electrical & Computer Engineering Faculty Publications

Porous hybrid materials and MOF (Metal-Organic-Framework) films represent modern designer materials that exhibit many requirements of a near ideal and tunable future thermoelectric (TE) material. In contrast to traditional semiconducting bulk TE materials, porous hybrid MOF templates can be used to overcome some of the constraints of physics in bulk TE materials. These porous hybrid systems are amenable for simulation and modeling to design novel optimized electron-crystal phonon-glass materials with potentially very high ZT (figure of merit) numbers. Porous MOF and hybrid materials possess an ultra-low thermal conductivity, which can be further modulated by phonon engineering within their complex porous …


Superconducting Radio-Frequency Cavity Fault Classification Using Machine Learning At Jefferson Laboratory, Chris Tennant, Adam Carpenter, Tom Powers, Anna Shabalina Solopova, Lasitha Vidyaratne, Khan Iftekharuddin Jan 2020

Superconducting Radio-Frequency Cavity Fault Classification Using Machine Learning At Jefferson Laboratory, Chris Tennant, Adam Carpenter, Tom Powers, Anna Shabalina Solopova, Lasitha Vidyaratne, Khan Iftekharuddin

Electrical & Computer Engineering Faculty Publications

We report on the development of machine learning models for classifying C100 superconducting radio-frequency (SRF) cavity faults in the Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Lab. CEBAF is a continuous-wave recirculating linac utilizing 418 SRF cavities to accelerate electrons up to 12 GeV through five passes. Of these, 96 cavities (12 cryomodules) are designed with a digital low-level rf system configured such that a cavity fault triggers waveform recordings of 17 rf signals for each of the eight cavities in the cryomodule. Subject matter experts are able to analyze the collected time-series data and identify which of the …