Application Of Multi-Scale Computational Techniques To Complex Materials Systems,
2023
University of Kentucky
Application Of Multi-Scale Computational Techniques To Complex Materials Systems, Mujan N. Seif
Theses and Dissertations--Chemical and Materials Engineering
The applications of computational materials science are ever-increasing, connecting fields far beyond traditional subfields in materials science. This dissertation demonstrates the broad scope of multi-scale computational techniques by investigating multiple unrelated complex material systems, namely scandate thermionic cathodes and the metallic foam component of micrometeoroid and orbital debris (MMOD) shielding. Sc-containing "scandate" cathodes have been widely reported to exhibit superior properties compared to previous thermionic cathodes; however, knowledge of their precise operating mechanism remains elusive. Here, quantum mechanical calculations were utilized to map the phase space of stable, highly-faceted and chemically-complex W nanoparticles, accounting for both finite temperature and chemical …
Thermal And Electrical Properties Of Spark Plasma Sintered (Ti,Cr)B2 Ceramics,
2023
Missouri University of Science and Technology
Thermal And Electrical Properties Of Spark Plasma Sintered (Ti,Cr)B2 Ceramics, Steven M. Smith, Lun Feng, William Fahrenholtz, Gregory E. Hilmas, Laura Silvestroni
Materials Science and Engineering Faculty Research & Creative Works
Thermal and electrical properties were measured for TiB2 ceramics containing varying CrB2 contents up to 33 mol%. The room-temperature thermal diffusivity decreased with increasing Cr content from 0.330 ± 0.003 cm2/s for pure TiB2 to 0.060 ± 0.003 cm2/s for (Ti0.66Cr0.33)B2. The amount of anisotropy in the coefficients of thermal expansion increased with increasing Cr content and the c-axis had the greatest dependence on Cr addition, with an increase of more than 25% in the thermal expansion for 33 mol% CrB2 compared to TiB2, whereas the a-axis only increased by about 8%. The electrical conductivity was the lowest for (Ti0.66Cr0.33)B2 …
Characterization Of Virgin, Re-Used, And Oxygen-Reduced Copper Powders Processed By The Plasma Spheroidization Process,
2023
Missouri University of Science and Technology
Characterization Of Virgin, Re-Used, And Oxygen-Reduced Copper Powders Processed By The Plasma Spheroidization Process, M. Hossein Sehhat, David Perez-Palomino, Connor Wiedemeier, Tristan Cullom, Joseph William Newkirk
Materials Science and Engineering Faculty Research & Creative Works
Fabrication of parts with high mechanical properties heavily depend on the quality of powder deployed in the fabrication process. Copper powder in three different powder types were spheroidized using radio-frequency inductively coupled plasma (ICP) spheroidization process (TekSphero-15 system). The characterized powders include virgin powder as purchased from the powder manufacturer, powder used in electron beam powder bed fusion (EB-PBF) process, and reconditioned powder, which was used powder that underwent an oxygen-reduction treatment. The goal of spheroidizing these powder types was to evaluate the change in powder morphology, the possibility of enhancing the powder properties back to their as-received conditions, and …
Characterization Of Virgin, Re-Used, And Oxygen-Reduced Copper Powders Processed By The Plasma Spheroidization Process,
2023
Missouri University of Science and Technology
Characterization Of Virgin, Re-Used, And Oxygen-Reduced Copper Powders Processed By The Plasma Spheroidization Process, M. Hossein Sehhat, David Perez-Palomino, Connor Wiedemeier, Tristan Cullom, Joseph William Newkirk
Materials Science and Engineering Faculty Research & Creative Works
Fabrication of parts with high mechanical properties heavily depend on the quality of powder deployed in the fabrication process. Copper powder in three different powder types were spheroidized using radio-frequency inductively coupled plasma (ICP) spheroidization process (TekSphero-15 system). The characterized powders include virgin powder as purchased from the powder manufacturer, powder used in electron beam powder bed fusion (EB-PBF) process, and reconditioned powder, which was used powder that underwent an oxygen-reduction treatment. The goal of spheroidizing these powder types was to evaluate the change in powder morphology, the possibility of enhancing the powder properties back to their as-received conditions, and …
Thermal And Electrical Properties Of Spark Plasma Sintered (Ti,Cr)B2 Ceramics,
2023
Missouri University of Science and Technology
Thermal And Electrical Properties Of Spark Plasma Sintered (Ti,Cr)B2 Ceramics, Steven M. Smith, Lun Feng, William Fahrenholtz, Gregory E. Hilmas, Laura Silvestroni
Materials Science and Engineering Faculty Research & Creative Works
Thermal and electrical properties were measured for TiB2 ceramics containing varying CrB2 contents up to 33 mol%. The room-temperature thermal diffusivity decreased with increasing Cr content from 0.330 ± 0.003 cm2/s for pure TiB2 to 0.060 ± 0.003 cm2/s for (Ti0.66Cr0.33)B2. The amount of anisotropy in the coefficients of thermal expansion increased with increasing Cr content and the c-axis had the greatest dependence on Cr addition, with an increase of more than 25% in the thermal expansion for 33 mol% CrB2 compared to TiB2, whereas the …
Boro/Carbothermal Reduction Co-Synthesis Of Dual-Phase High-Entropy Boride-Carbide Ceramics,
2023
Missouri University of Science and Technology
Boro/Carbothermal Reduction Co-Synthesis Of Dual-Phase High-Entropy Boride-Carbide Ceramics, Lun Feng, William Fahrenholtz, Gregory E. Hilmas, Stefano Curtarolo
Materials Science and Engineering Faculty Research & Creative Works
Dense, dual-phase (Cr,Hf,Nb,Ta,Ti,Zr)B2-(Cr,Hf,Nb,Ta,Ti,Zr)C ceramics were synthesized by boro/carbothermal reduction of oxides and densified by spark plasma sintering. The high-entropy carbide content was about 14.5 wt%. Grain growth was suppressed by the pinning effect of the two-phase ceramic, which resulted in average grain sizes of 2.7 ± 1.3 µm for the high-entropy boride phase and 1.6 ± 0.7 µm for the high-entropy carbide phase. Vickers hardness values increased from 25.2 ± 1.1 GPa for an indentation load of 9.81 N to 38.9 ± 2.5 GPa for an indentation load of 0.49 N due to the indentation size effect. Boro/carbothermal …
In Situ High-Temperature Raman Spectroscopy Via A Remote Fiber-Optic Raman Probe,
2023
Missouri University of Science and Technology
In Situ High-Temperature Raman Spectroscopy Via A Remote Fiber-Optic Raman Probe, Bohong Zhang, Hanok Tekle, Ronald J. O'Malley, Jeffrey D. Smith, Rex E. Gerald, Jie Huang
Materials Science and Engineering Faculty Research & Creative Works
This Study Demonstrated for the First Time an in Situ High-Temperature Fiber-Optic Raman Probe to Study the Structure of Glass and Slag Samples at Temperatures Up to 1400 °C. a Customized External Telescope Was Integrated into a Portable Fiber-Optic Raman Probe to Extend the Optical Working Distance to Allow the Probe to Work in a High-Temperature Environment. Three Samples Were Evaluated to Demonstrate the Functionality of the High-Temperature Fiber-Optic Raman Probe. Room Temperature and High-Temperature Raman Spectra Were Successfully Collected and Analyzed. in Addition, a Deconvolution Algorithm Was Used to Identify Peaks in the Spectrum that Could Then Be Related …
Carrier Transport Engineering In Wide Bandgap Semiconductors For Photonic And Memory Device Applications,
2022
New Jersey Institute of Technology
Carrier Transport Engineering In Wide Bandgap Semiconductors For Photonic And Memory Device Applications, Ravi Teja Velpula
Dissertations
Wide bandgap (WBG) semiconductors play a crucial role in the current solid-state lighting technology. The AlGaN compound semiconductor is widely used for ultraviolet (UV) light-emitting diodes (LEDs), however, the efficiency of these LEDs is largely in a single-digit percentage range due to several factors. Until recently, AlInN alloy has been relatively unexplored, though it holds potential for light-emitters operating in the visible and UV regions. In this dissertation, the first axial AlInN core-shell nanowire UV LEDs operating in the UV-A and UV-B regions with an internal quantum efficiency (IQE) of 52% are demonstrated. Moreover, the light extraction efficiency of this …
Damage Stability Study Of A 500 Dw Ro-Ro Ferry Vessel,
2022
Departement of Industrial Technology, Vocational School, Universitas Diponegoro, Semarang 50275, Indonesia
Damage Stability Study Of A 500 Dw Ro-Ro Ferry Vessel, Zulfaidah Ariany, Budhi Santoso, Sarwoko Sarwoko, Nauval Abdurrahman Prasetyo
Makara Journal of Technology
The development of the crossing transportation industry is currently increasing in the island areas. The use of Ro-Ro type ferry boats is extremely efficient in moving people, goods, and vehicles. The current research focuses on the damage stability of the 500 DWT Ro-Ro ferry, which aims to meet the needs of the Ro-Ro ferry in the archipelago area. The previously existing initial design of a barge hull with a main size Lpp = 40.15 m, B = 12 m, H = 3.2 m, and T = 2.15 m was used to analyze the damage stability condition further. First, the drawings …
Elucidating The Synergic Effect In Nanoscale Mos2/Tio2 Heterointerface For Na-Ion Storage,
2022
Qingdao University
Elucidating The Synergic Effect In Nanoscale Mos2/Tio2 Heterointerface For Na-Ion Storage, Chunrong Ma, Dewen Hou, Jiali Jiang, Yanchen Fan, Xiang Li, Tianyi Li, Zifeng Ma, Haoxi Ben, Hui Xiong
Materials Science and Engineering Faculty Publications and Presentations
Interface engineering in electrode materials is an attractive strategy for enhancing charge storage, enabling fast kinetics, and improving cycling stability for energy storage systems. Nevertheless, the performance improvement is usually ambiguously ascribed to the “synergetic effect”, the fundamental understanding toward the effect of the interface at molecular level in composite materials remains elusive. In this work, a well-defined nanoscale MoS2/TiO2 interface is rationally designed by immobilizing TiO2 nanocrystals on MoS2 nanosheets. The role of heterostructure interface between TiO2 and MoS2 by operando synchrotron X-ray diffraction (sXRD), solid-state nuclear magnetic resonance, and density functional …
Reduction Of Embodied Carbon In Buildings Through Use Of Low Carbon Strategies And Standardization And Enforcement Of Life Cycle Assessment,
2022
University of San Francisco
Reduction Of Embodied Carbon In Buildings Through Use Of Low Carbon Strategies And Standardization And Enforcement Of Life Cycle Assessment, Bhargavi Sai Sudhakar
Master's Projects and Capstones
The building and construction industry is energy intensive and as of 2021, this industry is responsible for 37% of the total global greenhouse gas emissions. In previous studies of conventional buildings, the operational energy of a building contributed to 80% and the embodied energy contributed to 20% of the total life cycle energy. With increase in policies and standards that focus on reducing the operational energy, low energy and certified green buildings have emerged where the operational energy has considerably reduced. The relative and absolute share of embodied energy in these energy efficient buildings have increased due to excessive use …
Advances On Composite Cathodes For Lithium-Sulfur Batteries,
2022
1. Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology, Department of Chemical Engineering, Tsinghua University, Beijing 100084, China
Advances On Composite Cathodes For Lithium-Sulfur Batteries, Xi-Yao Li, Chang-Xin Zhao, Bo-Quan Li, Jia-Qi Huang, Qiang Zhang
Journal of Electrochemistry
Lithium-sulfur (Li-S) batteries are deemed as high-promising next-generation energy storage technique due to their ultrahigh theoretical energy density, where the sulfur cathodes with high specific capacity guarantee the energy density advantage and directly determine the battery performances. After decades of exploration, the most promising sulfur cathodes are sulfur/carbon composite (S/C) cathodes and sulfurized polyacrylonitrile (SPAN) cathodes. In this manuscript, recent advances on S/C and SPAN cathodes in Li-S batteries are comprehensively reviewed. The electrochemical reaction circumstances on S/C and SPAN cathodes are firstly introduced and compared to reveal the working mechanisms of the two types of Li-S batteries. The S/C …
Enhanced Performance Of 3d Electroactive Polymer Transducers Via Hierarchical Structures,
2022
The University of Western Ontario
Enhanced Performance Of 3d Electroactive Polymer Transducers Via Hierarchical Structures, Frederick B. Holness
Electronic Thesis and Dissertation Repository
Conjugated polymers (CPs) are a class of polymers that exhibit a change in size or shape in response to electrical stimuli. The unique combination of electrical and mechanical properties facilitates the fabrication of novel devices in a broad range of applications including: sensors, actuators, and lab-on-a-chip systems. The alternating single and double bonds along the polymer chain of CPs enables their electroactive properties but is also responsible for processability associated with CPs that has limited fabrication methods. Recently a photosensitive CP composite enabling additive manufacturing (AM) of 3D CP structures was developed. However, the introduction of a copolymer for mechanical …
Investigation Of The Effect Of Corundum Layer On The Heat Transfer Of Sic Slab,
2022
University of Indonesia
Investigation Of The Effect Of Corundum Layer On The Heat Transfer Of Sic Slab, Sri Elsa Fatmi, Donanta Dhaneswara, Muhammad Anis, Ahmad Ashari
Journal of Materials Exploration and Findings (JMEF)
Aluminum is the most widely used metal in industry. Aluminum smelting is one of the important steps that needs to be carried out to produce products made of aluminum metal with good quality. In the process of smelting aluminum there are several problems that occur, one of which is the growth of corundum in Si C refractories which affects the quality of aluminum melt and the durability of Si C refractories. This research was conducted to see the heat transfer in Si C and the effect of the presence of Corundum on heat transfer. This research was carried out by …
Dynamic Rbi With Central Difference Method Approach In Calculation Of Uniform Corrosion Rate: A Casestudy On Gas Pipelines,
2022
Departemen Metalurgi dan Material, Fakultas Teknik, Universitas Indonesia, Depok 16424, Indonesia
Dynamic Rbi With Central Difference Method Approach In Calculation Of Uniform Corrosion Rate: A Casestudy On Gas Pipelines, M.Riefqi Dwi Alviansyah, Fernanda Hartoyo, Zahra Nadia Nurullia, Ari Kurniawan
Journal of Materials Exploration and Findings (JMEF)
The oil and gas industry generally uses a piping system to drain fluids. Even though the pipes used have been well designed, the use of pipes as a means of fluid transportation still provides the possibility of failure that can occur at any time, one of which is due to uniform corrosion. The use of standard Risk Based Inspection (RBI) according to the API RBI 581 document has been widely used to anticipate potential failures to pipe components. The use of standard RBI can reduce the risk of failure significantly. Because the standard RBI considers the component risk value to …
The Comparison Of Pipe Thickness Selection Method Using Full Flange Rating And Non-Full Flange Rating Of Cryogenic Services In An Lng Plant Construction,
2022
Atma Jaya Catholic University
The Comparison Of Pipe Thickness Selection Method Using Full Flange Rating And Non-Full Flange Rating Of Cryogenic Services In An Lng Plant Construction, Ari Agustar, Isdaryanto Iskandar, Wahyuaji Narottama Putra
Journal of Materials Exploration and Findings (JMEF)
Significant growth of gas demand as a source of power generation for domestic use and industries, mainly in the developed countries, has forced the effort to secure the gas supplies located thousands of miles away across the sea as an economical way of gas transportation instead of transporting by pipeline. LNG technology was created as the solution. Natural gas is refrigerated below its boiling point (-160oC to -162oC), known as cryogenic temperature or cryogenic service. Material of Construction (MOC) selection report showed that 304/304L and 316/316L Stainless Steel pipe could withstand and be suitable for this …
Structural Risk-Based Underwater Inspection (Rbui) As A Cost Reduction Of Field’S End Of Production Life,
2022
University of Indonesia
Structural Risk-Based Underwater Inspection (Rbui) As A Cost Reduction Of Field’S End Of Production Life, Ivan Fitrian Putra, Johny Wahyuadi Soedarsono, Mirza Mahendra, Yuki Haidir, Faisal Dwiyana Purnawarman, Iwan Sukirna, Widi Hernowo
Journal of Materials Exploration and Findings (JMEF)
Mubadala Petroleum operates offshore platforms in a southern Makassar Straits that needs to be periodically inspected. The cost for the inspection is massive due to the high cost of mobilization and demobilization of vessels including crew and equipment. In response of a new approach to reduce cost, a Risk-Based Underwater Inspection (RBUI) methodology is developed. This RBUI purpose is to reduce the inspection interval of the offshore platform, from every 2 years to a longer period[1]. There are existing RBUI methodologies, which are already developed and implemented in other companies[5]. Purpose of this paper is to …
Platinum-Iridium Alloys In Jewelry,
2022
Nathen Cade Christa
Platinum-Iridium Alloys In Jewelry, Nathen C. Christa, Seth Walker, Dylan Hallman
ME 4133/6133 Mechanical Metallurgy
One of the most widely used metals on the periodic table is Platinum (Pt). The name is derived from the Spanish Platina, meaning “silver.” This malleable, ductile material is widely used in applications due to its unique chemical properties. A couple of these unique properties include a high melting point and good resistance to corrosion or chemical attack. Platinum materials have alloys that are indispensable in the chemical laboratory for electrodes. This allows for material applications in crucibles and dishes to withstand elevated temperatures. Platinum is used primarily in catalytic converters in vehicles converting emissions from the vehicle’s engine into …
High-Carbon Steel In Additive Manufacturing,
2022
Mississippi State University
High-Carbon Steel In Additive Manufacturing, Chidi N. Agusiegbe, Devin Morton, Emmanuel Moore
ME 4133/6133 Mechanical Metallurgy
High-carbon steel can be processed through numerous methods. The method that will be focused on primarily is processing high-carbon steel through means of additive manufacturing. Additive manufacturing is the industrial production name for 3D printing, a computer-controlled process that creates three-dimensional objects by depositing materials, usually in layers. AM methods like wire laser additive manufacturing (WLAM) and electron beam melting (EBM) are all common methods for fabricating high carbon steel. The perks associated with these methods are that they improve some drawbacks of the natural properties of high-carbon steel. This paper discusses the uses of these additive manufacturing methods along …
Carbon-Al Interface Effect On The Performance Of Ionic Liquid-Based Supercapacitor At 3 V And 65 OC,
2022
1. Department of Chemical Engineering, Tsinghua University, Beijing, 100084, China
Carbon-Al Interface Effect On The Performance Of Ionic Liquid-Based Supercapacitor At 3 V And 65 OC, Zhen-Zhen Ye, Shu-Ting Zhang, Xin-Qi Chen, Jin Wang, Ying Jin, Chao-Jie Cui, Lei Zhang, Lu-Ming Qian, Gang Zhang, Wei-Zhong Qian
Journal of Electrochemistry
Ionic liquid (IL) electrolyte-based supercapacitors (SCs) have advantages of high operating voltage window, high energy density and nonflammability, as compared to conventional acetonitrile-based organic electrolyte SCs, and are typically suitable for the large-scale energy storage in the era of carbon neutrality full of renewable, but unstable electricity. However, current efforts were concentrated on the study with coin-cell type of IL-SCs, and less has been reported on the pouch type of IL-SCs for a long cycling time yet. To fabricate a reliable SC for the life time test or for the accelerated aging test under high temperature, one should concern the …
