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Full-Text Articles in Engineering

Signatures Of Vibrational And Electronic Quantum Beats In Femtosecond Coherence Spectra, Paul C. Arpin, Daniel B. Turner Apr 2021

Signatures Of Vibrational And Electronic Quantum Beats In Femtosecond Coherence Spectra, Paul C. Arpin, Daniel B. Turner

Materials Science and Engineering Faculty Publications and Presentations

Femtosecond laser pulses can produce oscillatory signals in transient-absorption spectroscopy measurements. The quantum beats are often studied using femtosecond coherence spectra (FCS), the Fourier domain amplitude, and phase profiles at individual oscillation frequencies. In principle, one can identify the mechanism that gives rise to each quantum-beat signal by comparing its measured FCS to those arising from microscopic models. To date, however, most measured FCS deviate from the ubiquitous harmonic oscillator model. Here, we expand the inventory of models to which the measured spectra can be compared. We develop quantum-mechanical models of the fundamental, overtone, and combination-band FCS arising from harmonic …


Improving The Intellectual And Social Development Of Children With Autism: Design Of A Training Center For Autism, Hasti Jalalian Apr 2021

Improving The Intellectual And Social Development Of Children With Autism: Design Of A Training Center For Autism, Hasti Jalalian

Makara Journal of Technology

Research on the relationship between the role of architecture and the psychology of children with autism, which indicates that appropriate environments for these children can have a significant effect on their healthcare process, has been recently conducted. However, statistics show that autism spectrum disorders are pervasive, and its extent in Iran has been increasing. Moreover, centers that are specifically designed for children with autism are limited, and paradigms are made without considering the mood of these children. Given the role of architecture in designing a suitable space for these children, an investigation that can identify the specific requirements of these …


Numerical Study Of A Buckling Restrained Brace (Brb) In Steel Structures And Comparison With A Convergent Ordinary Brace (Ocb) Under Static And Dynamic Loading, Fatemeh Habibpour Apr 2021

Numerical Study Of A Buckling Restrained Brace (Brb) In Steel Structures And Comparison With A Convergent Ordinary Brace (Ocb) Under Static And Dynamic Loading, Fatemeh Habibpour

Makara Journal of Technology

Bulk metallic glass (BMG) has good mechanical strength, high hardness, wear resistance, and corrosion resistance with promising application in various industries. However, for the industrial production of BMG, the main issue is how to overcome limitations of joining with other materials. The present study focuses on solder processing at low operating temperature to avoid exceeding the recrystallization temperature. A feasible joining process for BMG was developed using lead-free solders. The BMG surface is pre-plated with copper, nickel, or titanium as a wetting layer. The reaction temperature is set between the glass transition temperature of BMG and the melting point of …


Analysis Of The Interfacial Reaction Between Bulk Metallic Glass Coated Copper, Nickel, And Titanium With Lead-Free Solders, Andromeda Dwi Laksono, Yee-Wen Yen, Rifqi Aulia Tanjung, Teodoro A. Amatosa, Ruki Harwahyu Apr 2021

Analysis Of The Interfacial Reaction Between Bulk Metallic Glass Coated Copper, Nickel, And Titanium With Lead-Free Solders, Andromeda Dwi Laksono, Yee-Wen Yen, Rifqi Aulia Tanjung, Teodoro A. Amatosa, Ruki Harwahyu

Makara Journal of Technology

Bulk metallic glass (BMG) has good mechanical strength, high hardness, wear resistance, and corrosion resistance with promising application in various industries. However, for the industrial production of BMG, the main issue is how to overcome limitations of joining with other materials. The present study focuses on solder processing at low operating temperature to avoid exceeding the recrystallization temperature. A feasible joining process for BMG was developed using lead-free solders. The BMG surface is pre-plated with copper, nickel, or titanium as a wetting layer. The reaction temperature is set between the glass transition temperature of BMG and the melting point of …


Design Of Ac Microgrid Topology With Photovoltaic Uncertainties In A Rural Village, Vannak Vai Apr 2021

Design Of Ac Microgrid Topology With Photovoltaic Uncertainties In A Rural Village, Vannak Vai

Makara Journal of Technology

Energy needs are increasing day by day, especially for developing countries, due to population growth and changing lifestyles. A suitable microgrid topology with renewable energy integration is considered to fulfill the people and society’s needs. This paper focuses on the design of AC microgrid topology for a nonelectrified village with the integration of PV uncertainties in both sitting and sizing. The development of an optimal algorithm based on the conductor use minimization and unbalanced load improvement is proposed. The shortest path is proposed to search for the minimum conductor use. Then, the algorithm for improving the unbalanced load with two …


Mean-Shift Object Tracking Algorithm With Systematic Sampling Technique, Yoanes Bandung, Aris Ardiansyah Apr 2021

Mean-Shift Object Tracking Algorithm With Systematic Sampling Technique, Yoanes Bandung, Aris Ardiansyah

Makara Journal of Technology

Mean shift is a fast object tracking algorithm that only considers pixels in an object area, hence its relatively small computational load. This algorithm is suitable for use in real-time conditions in terms of execution time. The use of histograms causes this algorithm to be relatively resistant to rotation and changes in object size. However, its resistance to lighting changes is not optimal. This study aims to improve the performance of the algorithm under lighting changes and reduce its processing time. The proposed technique involves the use of sampling techniques to reduce the number of iterations, optimization of candidate search …


Analysis Of Correlation And Mapping Of Chlorophyll-A Concentrations And Sea Surface Temperatures In Coastal Areas Based On Terra Modis Satellite Image Data, Hendrata Wibisana, Bangun Muljo Sukotjo, Umboro Lasminto Apr 2021

Analysis Of Correlation And Mapping Of Chlorophyll-A Concentrations And Sea Surface Temperatures In Coastal Areas Based On Terra Modis Satellite Image Data, Hendrata Wibisana, Bangun Muljo Sukotjo, Umboro Lasminto

Makara Journal of Technology

Ecosystems in aquatic environments are distinct from ecosystems on land. Changes that occur in ecosystems in aquatic environments affect the lives of biota in these waters, including the fish used as a food source in fishing communities in coastal areas. This study aims to determine the role of remote sensing in mapping and analyzing the relationship between the parameters of sea surface temperature and chlorophyll-a concentrations on the coast. The correlation of sea surface temperature with chlorophyll-a concentrations is modeled via linear regression. An analysis of variance test is performed to establish the suitability of the temperature data for the …


In-Service Performance Evaluation And Installation Recommendations For Cable Median Barriers On Non-Continuously Shielded, Divided-Median Kansas Freeways, Nathan Dowler Apr 2021

In-Service Performance Evaluation And Installation Recommendations For Cable Median Barriers On Non-Continuously Shielded, Divided-Median Kansas Freeways, Nathan Dowler

Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research

The Kansas Department of Transportation (KDOT) installed 7.95 miles of cable median barrier (CMB) along K-10, K-96, and US-75 freeways in 2011 and 2012. In January 2020, KDOT funded a study to determine the in-service performance of its CMBs. In addition, KDOT sought to determine if it was cost-effective to modify guidelines for installing median barriers, which were based on annual daily traffic and median width.

Researchers reviewed every crash within approximately ¼ mile of a CMB installation and extracted crashes which involved a CMB impact. Researchers analyzed the critical details of each CMB crash, with particular emphasis on penetrations, …


An Injectable Thermosensitive Hydrogel Potentially Used For Wound Dressing With Self-Adhesive Properties, Yunxiu Qiu Apr 2021

An Injectable Thermosensitive Hydrogel Potentially Used For Wound Dressing With Self-Adhesive Properties, Yunxiu Qiu

McKelvey School of Engineering Graduate Student Theses & Dissertations

Wound healing is a complex process, and different kinds of materials are tried to achieve rapid healing. Among them, hydrogel is one of the best candidates for would dressing due to its distinctive properties, such as high biocompatibility, flexibility, and sensitivity to physiological environments. Injectable hydrogels can be facilely delivered in vivo without massive impairment to the body, as no surgical incision is needed for hydrogel embedment. This is highly consistent with the need of minimal invasion on human body. Multiple stimuli could be applied to achieve its injectability, including pH, temperature, light, ions in body fluids. Thermosensitive hydrogel is …


Authors From All Over The World Share Their Tech In Hardwarex To Battle Covid-19, Joshua M. Pearce Apr 2021

Authors From All Over The World Share Their Tech In Hardwarex To Battle Covid-19, Joshua M. Pearce

Michigan Tech Publications, Part 1

No abstract provided.


The Role Of Rejuvenators In Embedded Damage Healing For Asphalt Pavement, Shi Xu, Xueyan Liu, Amir Tabakovic, P Lin, Y Zhang, S Nahar, B J. Lommerts, Erik Schlangen Apr 2021

The Role Of Rejuvenators In Embedded Damage Healing For Asphalt Pavement, Shi Xu, Xueyan Liu, Amir Tabakovic, P Lin, Y Zhang, S Nahar, B J. Lommerts, Erik Schlangen

Articles

Rejuvenator encapsulation technique showed great potential for extrinsic asphalt pavement damage healing. Once the capsules are embedded within asphalt pavement, the healing is activated on-demand via progressing microcrack. When the microcrack encounters the capsule, the fracture energy at the tip opens the capsule and releases the rejuvenator. Then the released rejuvenator wets the crack surfaces, diffuses into and softens the aged bitumen, allowing two broken edges to come in the contact, preventing further asphalt pavement deterioration. The quality and speed of the damage repair process strongly depend on the quality of rejuvenator, thus it is important to choose a proper …


Origin Of Magnetism In Γ-Fesi 2 /Si(111) Nanostructures, Liwei D. Geng, Sahil Dhoka, Ilan Goldfarb, Ranjit Pati, Yongmei M. Jin Mar 2021

Origin Of Magnetism In Γ-Fesi 2 /Si(111) Nanostructures, Liwei D. Geng, Sahil Dhoka, Ilan Goldfarb, Ranjit Pati, Yongmei M. Jin

Michigan Tech Publications, Part 1

Magnetism has recently been observed in nominally nonmagnetic iron disilicide in the form of epitaxial γ-FeSi2 nanostructures on Si(111) substrate. To explore the origin of the magnetism in γ-FeSi2/Si(111) nanostructures, we performed a systematic first-principles study based on density functional theory. Several possible factors, such as epitaxial strain, free surface, interface, and edge, were examined. The calculations show that among these factors, only the edge can lead to the magnetism in γ-FeSi2/Si(111) nanostructures. It is shown that magnetism exhibits a strong dependency on the local atomic structure of the edge. Furthermore, magnetism can be enhanced by creating multiple-step edges. In …


Influence Of Parameters Of Non-Standard Modes Of Heat Treatment On Increasing The Wear Resistance Of Steel Products, Dorob Murotovich Berdiyev Dsn, Abdulaziz Abdullajanovich Yusupov Head Teacher, Ravshan Kobilovich Tashmatov Doctoral Student, Tuychi Nemat Ogli Ibodullayev Assistant, Kabira Erkinovna Qurbonova Head Teacher Mar 2021

Influence Of Parameters Of Non-Standard Modes Of Heat Treatment On Increasing The Wear Resistance Of Steel Products, Dorob Murotovich Berdiyev Dsn, Abdulaziz Abdullajanovich Yusupov Head Teacher, Ravshan Kobilovich Tashmatov Doctoral Student, Tuychi Nemat Ogli Ibodullayev Assistant, Kabira Erkinovna Qurbonova Head Teacher

Scientific-technical journal

The use of non-standard modes of heat treatment increases the density of dislocations in the crystal structure of the α-phase and increases the wear resistance of carbon, low-alloy steels under various friction conditions, which is comparable to the results when heated to a standard temperature (Ac3+30÷50 °C). The preliminary extreme heating temperature is determined. After re-quenching at standard temperature and low tempering, the wear resistance of steels under various types of friction increases by up to 40 % compared to standard quenching.


Influence Of Parameters Of Non-Standard Modes Of Heat Treatment On Increasing The Wear Resistance Of Steel Products, Dorob Murotovich Berdiyev Dsn, Abdulaziz Abdullajanovich Yusupov Head Teacher, Ravshan Kobilovich Tashmatov Doctoral Student, Tuychi Nemat Ogli Ibodullayev Assistant, Kabira Erkinovna Qurbonova Head Teacher Mar 2021

Influence Of Parameters Of Non-Standard Modes Of Heat Treatment On Increasing The Wear Resistance Of Steel Products, Dorob Murotovich Berdiyev Dsn, Abdulaziz Abdullajanovich Yusupov Head Teacher, Ravshan Kobilovich Tashmatov Doctoral Student, Tuychi Nemat Ogli Ibodullayev Assistant, Kabira Erkinovna Qurbonova Head Teacher

Scientific-technical journal

The use of non-standard modes of heat treatment increases the density of dislocations in the crystal structure of the α-phase and increases the wear resistance of carbon, low-alloy steels under various friction conditions, which is comparable to the results when heated to a standard temperature (Ac3+30÷50 °C). The preliminary extreme heating temperature is determined. After re-quenching at standard temperature and low tempering, the wear resistance of steels under various types of friction increases by up to 40 % compared to standard quenching.


Solid State Synthesis And Characterization Of Apatite Based Ceramic Waste Form For The Immobilization Of Radioactive Iodine, Md Imdadul Islam Mar 2021

Solid State Synthesis And Characterization Of Apatite Based Ceramic Waste Form For The Immobilization Of Radioactive Iodine, Md Imdadul Islam

LSU Doctoral Dissertations

The growing demand for nuclear power in the United States and worldwide is accountable for addressing the major concern of radioactive waste, involving the technical challenges of maintaining the nuclear fuel cycle and immobilizing high-level wastes for safe disposal in geological storage. The appropriate selection of waste forms for spent nuclear fuel such as fission products and radionuclides can be effective means for a feasible and sustainable nuclear fuel cycle. But highly volatile radionuclides such as iodine (129) are of specific concern due to its extraordinary long half-life (15.7 million years). Due to its poor solubility and high volatility at …


Fabrication And Characterization Of Electrospun Poly(Acrylonitrile-Co-Methyl Acrylate)/Lignin Nanofibers: Effects Of Lignin Type And Total Polymer Concentration, Suchitha Devadas, Saja M. Nabat Al-Ajrash, Donald A. Klosterman, Kenya A. Crosson, Garry S. Crosson, Erick S. Vasquez Mar 2021

Fabrication And Characterization Of Electrospun Poly(Acrylonitrile-Co-Methyl Acrylate)/Lignin Nanofibers: Effects Of Lignin Type And Total Polymer Concentration, Suchitha Devadas, Saja M. Nabat Al-Ajrash, Donald A. Klosterman, Kenya A. Crosson, Garry S. Crosson, Erick S. Vasquez

Chemical and Materials Engineering Faculty Publications

Lignin macromolecules are potential precursor materials for producing electrospun nanofibers for composite applications. However, little is known about the effect of lignin type and blend ratios with synthetic polymers. This study analyzed blends of poly(acrylonitrile-co-methyl acrylate) (PAN-MA) with two types of commercially available lignin, low sulfonate (LSL) and alkali, kraft lignin (AL), in DMF solvent. The electrospinning and polymer blend solution conditions were optimized to produce thermally stable, smooth lignin-based nanofibers with total polymer content of up to 20 wt % in solution and a 50/50 blend weight ratio. Microscopy studies revealed that AL blends possess good solubility, miscibility, and …


Magnetically Induced Demulsification Of Water And Castor Oil Dispersions Stabilized By Fe3o4-Coated Cellulose Nanocrystals, Mohammad J. Hasan, Frankie A. Petrie, Ashley E. Johnson, Joshua Peltan, Meredith Gannon, Robert T. Busch, Serhiy O. Leontsev, Erick S. Vasquez, Esteban E. Ureña-Benavides Mar 2021

Magnetically Induced Demulsification Of Water And Castor Oil Dispersions Stabilized By Fe3o4-Coated Cellulose Nanocrystals, Mohammad J. Hasan, Frankie A. Petrie, Ashley E. Johnson, Joshua Peltan, Meredith Gannon, Robert T. Busch, Serhiy O. Leontsev, Erick S. Vasquez, Esteban E. Ureña-Benavides

Chemical and Materials Engineering Faculty Publications

Superparamagnetic iron oxide (Fe3O4) nanoparticle (NP) coated cellulose nanocrystals (CNCs) were synthesized and used to prepare emulsions with magnetically controlled stability. Magnetite NPs were deposited onto the surface of wood pulp CNCs (WCNCs) and bacterial CNCs (BCNCs) by a one-step coprecipitation method. The effect of the CNC to Fe3O4 mass ratio (1:1, 1:2, and 1:4) was varied to optimize the colloidal, magnetic and emulsifying properties of the hybrid NPs. TEM images showed that the 1:4 ratios lead to greater coverage of Fe3O4 than lower Fe3O4 loadings (1:1, and 1:2). The CNCs and Fe3O4 appeared to interact via hydrogen bonding between …


Highly Efficient Visible-Light Photocatalytic Ethane Oxidation Into Ethyl Hydroperoxide As A Radical Reservoir, Yao Zhu, Siyuan Fang, Shaoqin Chen, Youjie Tong, Chunling Wang, Yun Hang Hu Mar 2021

Highly Efficient Visible-Light Photocatalytic Ethane Oxidation Into Ethyl Hydroperoxide As A Radical Reservoir, Yao Zhu, Siyuan Fang, Shaoqin Chen, Youjie Tong, Chunling Wang, Yun Hang Hu

Michigan Tech Publications, Part 1

Photocatalytic ethane conversion into value-added chemicals is a great challenge especially under visible light irradiation. The production of ethyl hydroperoxide (CH CH OOH), which is a promising radical reservoir for regulating the oxidative stress in cells, is even more challenging due to its facile decomposition. Here, we demonstrated a design of a highly efficient visible-light-responsive photocatalyst, Au/WO , for ethane oxidation into CH CH OOH, achieving an impressive yield of 1887 μmol g in two hours under visible light irradiation at room temperature for the first time. Furthermore, thermal energy was introduced into the photocatalytic system to increase the driving …


Fabrication And Characterization Methods Of Self-Cleaning Coatings For Solar Panels Application, Mohammed Khaleel M Alhussain Mar 2021

Fabrication And Characterization Methods Of Self-Cleaning Coatings For Solar Panels Application, Mohammed Khaleel M Alhussain

USF Tampa Graduate Theses and Dissertations

Transparent self-cleaning coatings with superhydrophobic and superhydrophilic behavior are of great interest in a wide range of industrial applications such as automotive, solar panels, windows, and optical devices. Each has its uses, properties, and characteristics. For the use of these coatings on solar panels, certain features are important in maintaining the efficiency of the panels in different weather conditions and reducing the operation and maintenance cost, such as self-cleaning, high transparency, antifouling, anti-fogging, and anti-icing. Herein, we have investigated the fabrication of self-cleaning coatings using two simple methods and ways to improve their characteristics. In the first method, a hydrophobic …


Nanocellulose Sheets From Oil Palm Empty Fruit Bunches Treated With Naoh Solution, Farah Fahma, Faiza Ayu Lestari, Ika Amalia Kartika, Nurmalisa Lisdayana, Evi Savitri Iriani Mar 2021

Nanocellulose Sheets From Oil Palm Empty Fruit Bunches Treated With Naoh Solution, Farah Fahma, Faiza Ayu Lestari, Ika Amalia Kartika, Nurmalisa Lisdayana, Evi Savitri Iriani

Karbala International Journal of Modern Science

The objective of this study is to produce nanocellulose sheets from oil palm empty fruit bunches (OPEFBs). Nanocellulose sheets from OPEFBs were prepared through the dewatering process using vacuum filtration. Subsequently, the produced sheets were treated with NaOH solution to improve the mechanical stability of their structure, causing them to be firm in water. The water absorption of nanocellulose sheet increased with increasing NaOH concentrations up to 20 wt%, increasing tensile strength, and Young’s modulus, but decreased when they were treated with 30 wt%. The diameter shrinkage of nanocellulose sheets was directly proportional to the NaOH concentration and soaking time. …


Progress In Proton-Conducting Oxides As Electrolytes For Low-Temperature Solid Oxide Fuel Cells: From Materials To Devices, Wei Zhang, Yun Hang Hu Mar 2021

Progress In Proton-Conducting Oxides As Electrolytes For Low-Temperature Solid Oxide Fuel Cells: From Materials To Devices, Wei Zhang, Yun Hang Hu

Michigan Tech Publications, Part 1

Among various types of alternative energy devices, solid oxide fuel cells (SOFCs) operating at low temperatures (300-600°C) show the advantages for both stationary and mobile electricity production. Proton-conducting oxides as electrolyte materials play a critical role in the low-temperature SOFCs (LT-SOFCs). This review summarizes progress in proton-conducting solid oxide electrolytes for LT-SOFCs from materials to devices, with emphases on (1) strategies that have been proposed to tune the structures and properties of proton-conducting oxides and ceramics, (2) techniques that have been employed for improving the performance of the protonic ceramic-based SOFCs (known as PCFCs), and (3) challenges and opportunities in …


Universal Image Segmentation For Optical Identification Of 2d Materials, Joshua Island, Randy M. Sterbentz, Kristine L. Haley Mar 2021

Universal Image Segmentation For Optical Identification Of 2d Materials, Joshua Island, Randy M. Sterbentz, Kristine L. Haley

Physics & Astronomy Faculty Research

Machine learning methods are changing the way data is analyzed. One of the most powerful and widespread applications of these techniques is in image segmentation wherein disparate objects of a digital image are partitioned and classified. Here we present an image segmentation program incorporating a series of unsupervised clustering algorithms for the automatic thickness identification of two-dimensional materials from digital optical microscopy images. The program identifies mono- and few-layer flakes of a variety of materials on both opaque and transparent substrates with a pixel accuracy of roughly 95%. Contrasting with previous attempts, application generality is achieved through preservation and analysis …


The Effect Of Cement And Blast Furnace Slag Characteristics On Expansion Of Heat-Cured Mortar Specimens, Jair G. Burgos Mar 2021

The Effect Of Cement And Blast Furnace Slag Characteristics On Expansion Of Heat-Cured Mortar Specimens, Jair G. Burgos

USF Tampa Graduate Theses and Dissertations

Delayed ettringite formation (DEF) is a durability issue that typically occurs in concrete exposed to high temperatures at an early age such as precast elements and massive concrete structural elements. There are many advantages to precast concrete such as its quality control, better safety control, and reusable forms, which make them cheaper than casting on site [1]. Heat curing of precast concrete is conducted to obtain high early-strength. However, in doing so, durability issues can arise in the form of internal sulfate attack also known as DEF, if the internal temperature of concrete exceeds 70°C. Past this threshold, ettringite decomposes …


Temperature-Immune Self-Referencing Fabry–Pérot Cavity Sensors, Hengky Chandrahalim, Jonathan W. Smith Mar 2021

Temperature-Immune Self-Referencing Fabry–Pérot Cavity Sensors, Hengky Chandrahalim, Jonathan W. Smith

AFIT Patents

A passive microscopic Fabry-Pérot Interferometer (FPI) sensor an optical fiber a three-dimensional microscopic optical structure formed on a cleaved tip of an optical fighter that reflects a light signal back through the optical fiber. The reflected light is altered by refractive index changes in the three-dimensional structure that is subject to at least one of: (i) thermal radiation; and (ii) volatile organic compounds.


Study Of Laser Based Additive Manufacturing For Titanium And Copper Alloys, Congyuan Zeng Mar 2021

Study Of Laser Based Additive Manufacturing For Titanium And Copper Alloys, Congyuan Zeng

LSU Doctoral Dissertations

Material processing by laser is increasingly applied in industrial applications for its outstanding characteristics, such as localized heating, high efficiency, and high manufacturing precision. In this study, two kinds of laser material processing strategies were investigated, namely laser surface engineering and laser-powder-bed fusion additive manufacturing, with pure titanium and copper alloys as target materials, respectively.

For laser surface engineering related studies, the work includes the investigation of the dynamic interactions between titanium and pure nitrogen or ambient air under transient laser processing conditions. Thanks to the in-situ synchrotron X-ray diffraction tests, the high-temperature reaction steps between titanium and pure nitrogen/ambient …


A Macro-Scale Ruck And Tuck Mechanism For Deformation In Ion-Irradiated Polycrystalline Graphite, Steve Johns, Karthik Chinnathambi Mar 2021

A Macro-Scale Ruck And Tuck Mechanism For Deformation In Ion-Irradiated Polycrystalline Graphite, Steve Johns, Karthik Chinnathambi

Materials Science and Engineering Faculty Publications and Presentations

A vein structure, which becomes more pronounced with increasing ion dose, was found on the surface of polycrystalline HOPG (highly oriented pyrolytic graphite) implanted by ex situ C+ (up to 1.8x1017 ions/cm2), and in situ Ar+ in a transmission electron microscope (TEM). These veins are found to be independent of the crystallographic orientations and are associated with the formation of pores. Underneath the veins, a triangular-shaped core was formed with the graphite platelet inside the core displaced up towards the surface. A macro-scale ‘ruck&tuck’ geometry was thus generated at these triangle structure boundaries. Progressive movement …


Open-Source Molecular Modeling Software In Chemical Engineering Focusing On The Molecular Simulation Design Framework, Eric Jankowski Mar 2021

Open-Source Molecular Modeling Software In Chemical Engineering Focusing On The Molecular Simulation Design Framework, Eric Jankowski

Materials Science and Engineering Faculty Publications and Presentations

Molecular simulation has emerged as an important sub-field of chemical engineering, due in no small part to the leadership of Keith Gubbins. A characteristic of the chemical engineering molecular simulation community is the commitment to freely share simulation codes and other key software components required to perform a molecular simulation under open-source licenses and distribution on public repositories such as GitHub. Here we provide an overview of opensource molecular modeling software in Chemical Engineering, with focus on the Molecular Simulation Design Framework (MoSDeF). MoSDeF is an open-source Python software stack that enables facile use of multiple open-source molecular simulation engines, …


Blood Driven Biopower Cells: Acquiring Energy From Reverse Electrodialysis Using Sodium Concentrations From The Flow Of Human Blood, Efecan Pakkaner, Chase Smith, Christina Trexler, Jamie Hestekin, Christa Hestekin Mar 2021

Blood Driven Biopower Cells: Acquiring Energy From Reverse Electrodialysis Using Sodium Concentrations From The Flow Of Human Blood, Efecan Pakkaner, Chase Smith, Christina Trexler, Jamie Hestekin, Christa Hestekin

Chemical Engineering Faculty Publications and Presentations

With the growth of the healthcare industry, small scale power sources are needed to support advancements in medical implants, artificial organs, and sensors throughout the body. However, it remains a challenge to find safe, reliable, and stable power sources for these devices. In this study, a miniaturized reverse electrodialysis (RED) biopower cell design using physiological salinity concentration differences between renal bloodstreams is explored for its potential to be used as a power supply for implantable medical devices. Two small scale RED devices produced consistent power for up to three to ten days, depending on the device design. A two-fold decrease …


First-Principles Studies Of Mof Absorption On Hydroxylated And Non-Hydroxylated Metal Oxide Surfaces And Implications For Atomic Layer Deposition Of Mos2, Matthew Lawson, Elton Graugnard, Lan Li Mar 2021

First-Principles Studies Of Mof Absorption On Hydroxylated And Non-Hydroxylated Metal Oxide Surfaces And Implications For Atomic Layer Deposition Of Mos2, Matthew Lawson, Elton Graugnard, Lan Li

Materials Science and Engineering Faculty Publications and Presentations

Significant interest in two-dimensional transition metal dichalcogenides has led to numerous experimental studies of their synthesis using scalable vapor phase methods, such as chemical vapor deposition (CVD) and atomic layer deposition (ALD). ALD typically allows lower deposition temperatures, and nucleation of chemical precursors requires reactions with surface functional groups. A common first-principles method used to study ALD modeling is the calculation of activation energy for a proposed reaction pathway. In this work we calculated the partial charge densities, local density of states (LDoS), Bader charge analysis, adsorption energies, and charge density difference using density functional theory (DFT) to investigate the …


Interface Structure And Luminescence Properties Of Epitaxial Pbse Films On Inas(111)A, Kevin D. Vallejo, Paul J. Simmonds Mar 2021

Interface Structure And Luminescence Properties Of Epitaxial Pbse Films On Inas(111)A, Kevin D. Vallejo, Paul J. Simmonds

Materials Science and Engineering Faculty Publications and Presentations

Epitaxial heterostructures of narrow-gap IV-VI and III-V semiconductors offer a platform for new electronics and mid-infrared photonics. Stark dissimilarities in the bonding and the crystal structure between the rocksalt IV–VIs and the zincblende III–Vs, however, mandate the development of nucleation and growth protocols to reliably prepare high-quality heterostructures. In this work, we demonstrate a route to single crystal (111)-oriented PbSe epitaxial films on nearly lattice-matched InAs (111)A templates. Without this technique, the high-energy heterovalent interface readily produces two populations of PbSe grains that are rotated 180° in-plane with respect to each other, separated by rotational twin boundaries. We find that …