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Articles 45391 - 45420 of 196657
Full-Text Articles in Engineering
An Automated Method To Enrich Consumer Health Vocabularies Using Glove Word Embeddings And An Auxiliary Lexical Resource, Mohammed Ibrahim, Susan Gauch, Omar Salman, Mohammed Alqahtani
An Automated Method To Enrich Consumer Health Vocabularies Using Glove Word Embeddings And An Auxiliary Lexical Resource, Mohammed Ibrahim, Susan Gauch, Omar Salman, Mohammed Alqahtani
Computer Science and Computer Engineering Faculty Publications and Presentations
Background
Clear language makes communication easier between any two parties. A layman may have difficulty communicating with a professional due to not understanding the specialized terms common to the domain. In healthcare, it is rare to find a layman knowledgeable in medical terminology which can lead to poor understanding of their condition and/or treatment. To bridge this gap, several professional vocabularies and ontologies have been created to map laymen medical terms to professional medical terms and vice versa.
Objective
Many of the presented vocabularies are built manually or semi-automatically requiring large investments of time and human effort and consequently the …
Structural Characteristics And Thermophysical Properties Of Molten Salts From Ab Initio Molecular Dynamics Simulations, Austin David Clark
Structural Characteristics And Thermophysical Properties Of Molten Salts From Ab Initio Molecular Dynamics Simulations, Austin David Clark
Theses and Dissertations
This work 1) draws insights on molten salt structure and properties directly from ab initio molecular dynamics (AIMD) simulations, 2) demonstrates the advantageous symbiosis of computational and experimental collaborations on molten salt research, and 3) simultaneously generates ab initio data sets for fitting an interatomic potential model for classical molecular dynamics (MD) simulations. This work discusses the motivations for AIMD simulations of molten salts, thermophysical properties and structural characteristics of interest, advanced methodologies for AIMD simulations, and several completed AIMD studies on molten salts. Of import are the methodological contributions of this work to AIMD simulations, primarily the radical increase …
Approaches For Sustainable Aviation, Muhammad Muneeb Safdar
Approaches For Sustainable Aviation, Muhammad Muneeb Safdar
International Programs
The ecological condition is worsening worldwide. The harmful emissions produced by aircraft are significant pollutants. Millions of gallons of fuel are burnt everyday during combustion in aircraft engines thus contributing to noxious emissions. These emissions are not only toxic and a respiratory health hazards but are increasing. It is a grave concern for which remedial measures need to be taken by all the stakeholders before the problem become intractable. So, what needs to be done to make aviation environmentally stable. A balanced and integrated policy encompassing the operational improvements, improvements in aircraft and engine technology, and use of sustainable aviation …
Geoindicators For Assessing Illegal Gold Mining Environmental Impacts In Choco, Colombia, Jennifer Angel-Amaya
Geoindicators For Assessing Illegal Gold Mining Environmental Impacts In Choco, Colombia, Jennifer Angel-Amaya
International Programs
In Choco artisanal gold mining has been made for centuries. However, since 2009, with the rise in gold prices, alluvial mining has been mechanized causing social and environmental devastation.
Colombia´s T-622 (2016) ruling calls for the restoration of affected areas. Geoindicators could be used to assess the environmental impacts prior restoration.
Quantum Grover's Oracles With Symmetry Boolean Functions, Peng Gao
Quantum Grover's Oracles With Symmetry Boolean Functions, Peng Gao
Dissertations and Theses
Quantum computing has become an important research field of computer science and engineering. Among many quantum algorithms, Grover's algorithm is one of the most famous ones. Designing an effective quantum oracle poses a challenging conundrum in circuit and system-level design for practical application realization of Grover's algorithm.
In this dissertation, we present a new method to build quantum oracles for Grover's algorithm to solve graph theory problems. We explore generalized Boolean symmetric functions with lattice diagrams to develop a low quantum cost and area efficient quantum oracle. We study two graph theory problems: cycle detection of undirected graphs and generalized …
Lightning Arc Channel Effects On Surface Damage Development On A Prseus Composite Panel: An Experimental Study, Dounia Boushab, Pedram Gharghabi, Juhyeong Lee, Thomas E. Lacy Jr., Charles U. Pittman Jr., Michael S. Mazzola, Alexander Velicki
Lightning Arc Channel Effects On Surface Damage Development On A Prseus Composite Panel: An Experimental Study, Dounia Boushab, Pedram Gharghabi, Juhyeong Lee, Thomas E. Lacy Jr., Charles U. Pittman Jr., Michael S. Mazzola, Alexander Velicki
Mechanical and Aerospace Engineering Faculty Publications
Composite aircraft structures are vulnerable to lightning strike damage due to their relatively low electrical and thermal conductivities. A preceding work has investigated the lightning damage resistance of a carbon-epoxy Pultruded Rod Stitched Efficient Unitized Structure (PRSEUS) panel. The damage includes intense local damage (i.e., matrix decomposition/sublimation, fiber rupture, delamination) accompanied by widespread surface damage (i.e., distributed fiber rupture and tow splitting) further from the lightning attachment point. This study focuses on investigating the cause of the widespread surface damage. Two possible driving mechanisms are explored: i) magnetically-induced currents and ii) lightning arc-root/channel expansion. …
The Abacus: A New Approach To Authorization, Jacob Aaron Jess Siebach
The Abacus: A New Approach To Authorization, Jacob Aaron Jess Siebach
Theses and Dissertations
The purpose of this thesis is to investigate the implementation of digital authorization for computer systems, specifically how to implement an efficient and secure authorization engine that uses policies and attributes to calculate authorization. The architecture for the authorization engine is discussed, the efficiency of the engine is characterized by various tests, and the security model is reviewed against other presently existing models. The resulting efforts showed an increase in efficiency of almost two orders of magnitude, along with a reduction in the amount of processing power required to run the engine. The main focus of the work is how …
Influence Of The Cleaning Operation On The Quality Of The Yarn., Rizk El-Bealy, Mahmoud Talat
Influence Of The Cleaning Operation On The Quality Of The Yarn., Rizk El-Bealy, Mahmoud Talat
Mansoura Engineering Journal
The object of the present work is to study the influence of the progress of cleaning operation on cleaning action, neps per gram and yarn characteristics. The results of industrial evaluations, using three varieties of Egyptian cotton fibers, To produce ring-spun yarns ranged from carded to combed qualities, are presented. For all cotton fibers, comparison of the processing performance of a three cleaning units with Masterclean concept are favourable to the new cleaning unit (MAC). The modern set alone provides up to 64% cleaning efficiency and lower lint loss at 460 kg/hr production. Also, the results emphasize the high trash …
Case Study Of An Automated Mower To Support Airport Sustainability, Sarah Hubbard, Adam Baxmeyer, Bryan Hubbard
Case Study Of An Automated Mower To Support Airport Sustainability, Sarah Hubbard, Adam Baxmeyer, Bryan Hubbard
Aviation Technology Faculty and Staff Publications
This paper documents a case study of an automated mower to support sustainability at an airport. Mowing is an essential component of an airport’s Wildlife Hazard Management Plan (WHMP), which reduces the risk of birds and other wildlife to aircraft operations. Many airports have large areas of land (hundreds or even thousands of acres), which requires significant resources to manage and mow; experience at the Purdue Airport (KLAF) suggests that automated mowing may support economic and environmental aspects of sustainability. Automated mowing supports economic efficiency by reducing personnel requirements, although personnel are still needed for inspections, maintenance, and “mower rescue” …
Evaluasi Tiga Sistem Budidaya Di Lahan Sempit Pada Budidaya Dua Kultivar Bayam Di Kota Bekasi, Syariful Mubarok, Salsabila Dwi Ananda, Farida, Ainun Fadilah, Rija Sudirja
Evaluasi Tiga Sistem Budidaya Di Lahan Sempit Pada Budidaya Dua Kultivar Bayam Di Kota Bekasi, Syariful Mubarok, Salsabila Dwi Ananda, Farida, Ainun Fadilah, Rija Sudirja
Jurnal Kultivasi
Budidaya sayuran pada lahan sempit di daerah perkotaan merupakan salah satu upaya pemerintah dalam mewujudkan ketahanan pangan. Tujuan dari penelitian ini adalah untuk mengetahui sistem budidaya tanaman bayam yang paling baik untuk diterapkan pada lahan sempit pekarangan di Kota Bekasi. Percobaan ini telah dilaksanakan pada bulan Agustus hingga September 2020 di areal pemukiman yang berlokasi di Jalan Caringin Raya, Kota Bekasi. Percobaan menggunakan metode Rancangan Acak Kelompok (RAK). Dua kultivar bayam, ‘Maestro’ dan ‘Mira’, dibudidayakan pada tiga sistem budidaya berbeda, yaitu konvensional, vertikultur, dan hidroponik rakit apung yang diulang sebanyak empat ulangan. Hasil penelitian menunjukkan bahwa penanaman bayam pada sistem …
Development Of A Microfluidic Viscoelastic Hemostatic Assay For Real-Timeviscosity Measurements Of Blood, Shay Kent
Electronic Theses and Dissertations
Blood coagulation disorders are malfunctions in the body’s ability to control blood clotting. It can result in either insufficient clotting causing an increased risk of bleeding or excessive clotting obstructing blood flow. The rapid and accurate diagnosis of coagulopathies is an important, unmet need in the clinical setting. Rapidly identifying the source of bleeding, either acquired or inherited, is critical to reduce the risk of major blood loss and deliver personalized hemostatic therapies. Viscoelastic hemostatic assays, or VHAs, deliver an effective solution to the diagnosis of coagulopathies by evaluating global hemostatic function using whole blood rather than plasma. VHAs are …
Tracking The Amide I And Αcoo− Terminal Ν(C=O) Raman Bands In A Family Of L-Glutamic Acid-Containing Peptide Fragments: A Raman And Dft Study, Ashley E. Williams, Nathan I. Hammer, Ryan C. Fortenberry, Dana N. Reinemann
Tracking The Amide I And Αcoo− Terminal Ν(C=O) Raman Bands In A Family Of L-Glutamic Acid-Containing Peptide Fragments: A Raman And Dft Study, Ashley E. Williams, Nathan I. Hammer, Ryan C. Fortenberry, Dana N. Reinemann
Faculty and Student Publications
The E-hook of β-tubulin plays instrumental roles in cytoskeletal regulation and function. The last six C-terminal residues of the βII isotype, a peptide of amino acid sequence EGEDEA, extend from the microtubule surface and have eluded characterization with classic X-ray crystallographic techniques. The band position of the characteristic amide I vibration of small peptide fragments is heavily dependent on the length of the peptide chain, the extent of intramolecular hydrogen bonding, and the overall polarity of the fragment. The dependence of the E residue’s amide I ν(C=O) and the αCOO− terminal ν(C=O) bands on the neighboring side chain, the length …
Enhanced Flexible Pavement Performance Using Treated Compared To Untreated Aggregate Bases: A Comparative Case Study In The Southern United States, Mena L. Souliman, Hemant Gc, Zabi Mohammed
Enhanced Flexible Pavement Performance Using Treated Compared To Untreated Aggregate Bases: A Comparative Case Study In The Southern United States, Mena L. Souliman, Hemant Gc, Zabi Mohammed
Civil Engineering Faculty Publications and Presentations
One of the important aspects of highway design is aggregates. Aggregates strength and consistency has an effect on pavement structure's overall performance. The consistency of the base material near the site of the construction doesn't always match the requirements of pavement construction and carrying quality aggregate raises the cost of construction. Stabilizing agents such as asphalt cement, lime, fly ash were used to improve the strength of these materials in order to make greater use of locally available materials. Layer materials present in the pavements and the structure of them influence pavement performance. The compressive strain and the tensile strain …
Martensitic And Inter-Martensitic Transformations In Magnetocaloric Ni2.15mn0.85ga Heusler Alloy, A. Madiligama, P. Ari-Gur, Y, Ren, V, Shavrov, Y. Ge, J. George, I. Musabirov, V. Koledov
Martensitic And Inter-Martensitic Transformations In Magnetocaloric Ni2.15mn0.85ga Heusler Alloy, A. Madiligama, P. Ari-Gur, Y, Ren, V, Shavrov, Y. Ge, J. George, I. Musabirov, V. Koledov
Mechanical and Aerospace Engineering Faculty Publications
The entropy changes of successive martensitic phase transformations in Ni-Mn-Ga Heusler alloys can be utilized to realize enhanced magnetocaloric properties. A detailed study of phase transformations of one such alloy, Ni2.15Mn0.85Ga, (ΔQ = 4900 J/kg at 343 K, under 140 kOe), is reported here. Upon cooling, the paramagnetic cubic (L21) austenitic phase transforms into a ferromagnetic 7M modulated monoclinic martensitic phase. This phase is stable in a narrow temperature range, and upon further cooling, transforms into a non-modulated ferromagnetic tetragonal (L10) phase. The separation between the equilibrium temperatures of the austenitic and tetragonal martensitic phases is only ~50 K. The …
Robust Data Submission Pipeline For Agmip Global Economics Modelers, Raziq Ramli
Robust Data Submission Pipeline For Agmip Global Economics Modelers, Raziq Ramli
Discovery Undergraduate Interdisciplinary Research Internship
Agricultural Model Intercomparison and Improvement Project (AgMIP) is an international effort to improve agricultural models and scientific and technological capabilities for assessing the impacts of climate variability and other driving factors on agriculture, food security, and poverty. The Global Economics (GlobalEcon) team in AgMIP conducts extensive model intercomparison to assess the agricultural effects of climate change, bioenergy policies, and socioeconomic factors. Currently, the preparation and sharing of GlobalEcon model data are done manually, which is time-consuming and error-prone. This project aims to address this problem by designing a robust data submission pipeline capable of harmonizing data from diverse modeling groups …
Active Thermography For Additive Manufacturing Processes, Nicholas Jay Wallace
Active Thermography For Additive Manufacturing Processes, Nicholas Jay Wallace
Theses and Dissertations
The goal of the research conducted for this master's thesis is to understand if active thermography is a suitable technique to detect (identify) and measure (approximate depth and or size) defects in additive manufacturing (AM) processes. Although other non-destructive measurement techniques exist, active thermography is an attractive option for AM applications because of the short measurement times that could be implemented between each layer of a print, and because of the relatively inexpensive equipment required. However, pulse thermography is typically applied to detect larger defects (>1 mm) in materials with high thermal conductivity. It was uncertain if active thermography …
Designing Cell-Free Protein Synthesis Systems For Improved Biocatalysis And On-Demand, Cost-Effective Biosensors, Mehran Soltani Najafabadi
Designing Cell-Free Protein Synthesis Systems For Improved Biocatalysis And On-Demand, Cost-Effective Biosensors, Mehran Soltani Najafabadi
Theses and Dissertations
The open nature of Cell-Free Protein Synthesis (CFPS) systems has enabled flexible design, easy manipulation, and novel applications of protein engineering in therapeutic production, biocatalysis, and biosensors. This dissertation reports on three advances in the application of CFPS systems for 1) improving biocatalysis performance in industrial applications by site-specific covalent enzyme immobilization, 2) expressing and optimizing a difficult to express a mammalian protein in bacterial-based CFPS systems and its application for cost-effective, on-demand biosensors compatible with human body fluids, and 3) streamlining the procedure of an E. coli extract with built-in compatibility with human body fluid biosensors. Site-specific covalent immobilization …
Analysis Of Liquefied Natural Gas (Lng) Systems With Innovative Waste Heat Recovery, Shisir Acharya
Analysis Of Liquefied Natural Gas (Lng) Systems With Innovative Waste Heat Recovery, Shisir Acharya
LSU New Orleans Theses and Dissertations
Due to the increase in energy needs all over the world, many nations do not have sufficient indigenous energy resources and have turned towards importing Liquefied Natural Gas (LNG). LNG production is an energy intensive process that produces a lot of wasted heat. The objective of this study is to review the current LNG processes and identify areas of improvement. To begin with, this study analyzes wasted energy recovery methods currently used in various power plants, followed by validation of the capability of the software, Thermoflex, against the published performance data of various power plants and corresponding gas cleanup processes. …
Final 2021 Residential Metals Abatement Program (Rmap) School Soil Sampling Field Sampling Plan (Fsp) Submittal #7 [Covering Former Hawthorne School And Aware Early Headstart], Pioneer Technical Services, Inc.
Final 2021 Residential Metals Abatement Program (Rmap) School Soil Sampling Field Sampling Plan (Fsp) Submittal #7 [Covering Former Hawthorne School And Aware Early Headstart], Pioneer Technical Services, Inc.
Silver Bow Creek/Butte Area Superfund Site
No abstract provided.
Finding Bert’S Idiomatic Key, Vasudevan Nedumpozhimana, John Kelleher
Finding Bert’S Idiomatic Key, Vasudevan Nedumpozhimana, John Kelleher
Conference papers
Sentence embeddings encode information relating to the usage of idioms in a sentence. This paper reports a set of experiments that combine a probing methodology with input masking to analyse where in a sentence this idiomatic information is taken from, and what form it takes. Our results indicate that BERT’s idiomatic key is primarily found within an idiomatic expression, but also draws on information from the surrounding context. Also, BERT can distinguish between the disruption in a sentence caused by words missing and the incongruity caused by idiomatic usage.
Rapid Computation Of Effective Conductivity Of 2d Composites By Equivalent Circuit And Spectral Methods., Ben J. Ransom, Dean R. Wheeler
Rapid Computation Of Effective Conductivity Of 2d Composites By Equivalent Circuit And Spectral Methods., Ben J. Ransom, Dean R. Wheeler
Faculty Publications
This work presents models for homogenizing or finding the effective transport or mechanical properties of microscale composites formed from highly contrasting phases described on a grid. The methods developed here are intended for engineering applications where speed and geometrical flexibility are a premium. A canonical case that is mathematically challenging and yet can be applied to many realistic materials is a 4-phase 2-dimensional periodic checkerboard or tiling. While analytic solutions for calculating effective properties exist for some cases, versatile methods are needed to handle anisotropic and non-square grids. A reinterpretation and extension of an existing analytic solution that utilizes equivalent …
An Investigation Of The Impact Gender-Specific Course Grouping Has On Female Middle-School Students' Concept Of And Interests Toward Technology And Engineering, Thomas Broderick Walsh
An Investigation Of The Impact Gender-Specific Course Grouping Has On Female Middle-School Students' Concept Of And Interests Toward Technology And Engineering, Thomas Broderick Walsh
Theses and Dissertations
Attempts to improve retention, interest, and enrollment of females in Technology & Engineering Education courses have included a variety of approaches including female-only classes. However, the implications of such courses have not been thoroughly investigated. Therefore, an investigation of female-only classes was undertaken; the findings revealed that the overall enrollment of females went up in the course and in subsequent classes, these students maintained their interests and attitudes towards Technology and Engineering, their perceptions of an engineer's gender changed from that of mostly male to mostly female, and their concepts of what an engineer does changed from mostly building or …
Analysis Of Closed-Loop Digital Twin, Andrew Stuart Eyring
Analysis Of Closed-Loop Digital Twin, Andrew Stuart Eyring
Theses and Dissertations
Given recent advancements in technology and recognizing the evolution of smart manufacturing, the implementation of digital twins for factories and processes is becoming more common and more useful. Additionally, expansion in connectivity, growth in data storage, and the implementation of the Industrial Internet of Things (IIoT) allow for greater opportunities not only with digital twins but closed loop analytics. Discrete Event Simulation (DES) has been used to create digital twins and in some instances fitted with live connections to closely monitor factory operations. However, the benefits of a connected digital twin are not easily quantified. Therefore, a test bed demonstration …
Cable Manipulation With A Tactile-Reactive Gripper, Yu She, Shaoxiong Wang, Siyuan Dong, Neha Sunil, Alberto Rodriguez, Edward Adelson
Cable Manipulation With A Tactile-Reactive Gripper, Yu She, Shaoxiong Wang, Siyuan Dong, Neha Sunil, Alberto Rodriguez, Edward Adelson
School of Industrial Engineering Faculty Publications
Cables are complex, high-dimensional, and dynamic objects. Standard approaches to manipulate them often rely on conservative strategies that involve long series of very slow and incremental deformations, or various mechanical fixtures such as clamps, pins, or rings. We are interested in manipulating freely moving cables, in real time, with a pair of robotic grippers, and with no added mechanical constraints. The main contribution of this paper is a perception and control framework that moves in that direction, and uses real-time tactile feedback to accomplish the task of following a dangling cable. The approach relies on a vision-based tactile sensor, GelSight, …
Robust Nonlinear Tracking Control For Unmanned Aircraft In The Presence Of Wake Vortex, Petr Kazarin, Vladimir Golubev, William Mackunis, Claudia Moreno
Robust Nonlinear Tracking Control For Unmanned Aircraft In The Presence Of Wake Vortex, Petr Kazarin, Vladimir Golubev, William Mackunis, Claudia Moreno
Publications
The flight trajectory of unmanned aerial vehicles (UAVs) can be significantly affected by external disturbances such as turbulence, upstream wake vortices, or wind gusts. These effects present challenges for UAV flight safety. Hence, addressing these challenges is of critical importance for the integration of unmanned aerial systems (UAS) into the National Airspace System (NAS), especially in terminal zones. This work presents a robust nonlinear control method that has been designed to achieve roll/yaw regulation in the presence of unmodeled external disturbances and system nonlinearities. The data from NASA-conducted airport experimental measurements as well as high-fidelity Large Eddy Simulations of the …
Residential Water Meters As Edge Computing Nodes: Disaggregating End Uses And Creating Actionable Information At The Edge, Nour A. Attallah, Jeffery S. Horsburgh, Arle S. Beckwith Jr., Robb J. Tracey
Residential Water Meters As Edge Computing Nodes: Disaggregating End Uses And Creating Actionable Information At The Edge, Nour A. Attallah, Jeffery S. Horsburgh, Arle S. Beckwith Jr., Robb J. Tracey
Publications
We present a new, open source, computationally capable datalogger for collecting and analyzing high temporal resolution residential water use data. Using this device, execution of water end use disaggregation algorithms or other data analytics can be performed directly on existing, analog residential water meters without disrupting their operation, effectively transforming existing water meters into smart, edge computing devices. Computation of water use summaries and classified water end use events directly on the meter minimizes data transmission requirements, reduces requirements for centralized data storage and processing, and reduces latency between data collection and generation of decision-relevant information. The datalogger couples an …
Transparent Capacitive And Piezoelectric Micromachined Ultrasonic Transducers For Tactile Feedback With 3d Displays, Emily Anne Laughlin
Transparent Capacitive And Piezoelectric Micromachined Ultrasonic Transducers For Tactile Feedback With 3d Displays, Emily Anne Laughlin
Theses and Dissertations
3D display technology is limited by the user's ability to interact with displays without being connected to external equipment. In order to feel tactile feedback in conjunction with displays, ultrasonic sound pressure fields have been created; however, ceramic transducers interfere with the user's immersive experience. We have created transparent ultrasonic transducers using capacitive micromachined ultrasonic transducer (CMUT) and piezoelectric micromachined ultrasonic transducer (PMUT) technology that allow the user to remain immersed in the experience while interacting with the display. Individual transparent piezoelectric transducers made with indium tin oxide (ITO) and polyvinylidene fluoride (PVDF) generate 66.9dB with 91.6% transparency. Samples were …
Final 2021 Residential Metals Abatement Program (Rmap) School Soil Sampling Field Sampling Plan (Fsp) Submittal #6 [Covering Small World Daycare], Pioneer Technical Services, Inc.
Final 2021 Residential Metals Abatement Program (Rmap) School Soil Sampling Field Sampling Plan (Fsp) Submittal #6 [Covering Small World Daycare], Pioneer Technical Services, Inc.
Silver Bow Creek/Butte Area Superfund Site
No abstract provided.
Radiation Effects On Space Solar Cells At Various Earth And Jupiter Orbital Altitudes, Naazneen Rana
Radiation Effects On Space Solar Cells At Various Earth And Jupiter Orbital Altitudes, Naazneen Rana
Discovery Undergraduate Interdisciplinary Research Internship
Solar cells are used as the primary power source for earth-orbiting satellites and as a primary/secondary power source for various missions within the solar system. However, high energy particles from the sun, planetary magnetospheres, and the galaxy can affect the performance and life expectancy of the space solar cell and associated power systems. As the interests for interplanetary travel and the exploration of planets within our solar system increase, the need to understand a device’s performance within a particular planet’s environment is necessary. Therefore, this study will analyze the performance of space solar cells, particularly the SolAero IMM-α, at various …
High-Throughput Discovery Of Novel Cubic Crystal Materials Using Deep Generative Neural Networks, Yong Zhao, Mohammed Al-Fahdi, Ming Hu, Edirisuriya M.D. Siriwardane, Yuqi Song, Alireza Nasiri, Jianjun Hu
High-Throughput Discovery Of Novel Cubic Crystal Materials Using Deep Generative Neural Networks, Yong Zhao, Mohammed Al-Fahdi, Ming Hu, Edirisuriya M.D. Siriwardane, Yuqi Song, Alireza Nasiri, Jianjun Hu
Faculty Publications
High-throughput screening has become one of the major strategies for the discovery of novel functional materials. However, its effectiveness is severely limited by the lack of sufficient and diverse materials in current materials repositories such as the open quantum materials database (OQMD). Recent progress in deep learning have enabled generative strategies that learn implicit chemical rules for creating hypothetical materials with new compositions and structures. However, current materials generative models have difficulty in generating structurally diverse, chemically valid, and stable materials. Here we propose CubicGAN, a generative adversarial network (GAN) based deep neural network model for large scale generative design …