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AFM And EBSD Cross-Comparison Analysis Tool
14 Aug 2018 | | Contributor(s):: Andrew Martin Krawec, John Blendell, Matthew John Michie
Ceramic and semiconductor research is limited in its ability to create holistic representations of data in concise, easily-accessible file formats or visual data representations. These materials are used in everyday electronics, and optimizing their electrical and physical properties is...
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Analytical Solution of Microbes Interacting with Surfaces
14 Aug 2017 | | Contributor(s):: Junyuan Li, Vaseem Shaik, Arezoo Ardekani
The biological or medical related problems are among the most heated topics in scientific field. There is a rising interest in studying the behavior of microbes and their interactions with flow. In order to explore the velocity fields, pressures and forces around the microbes, the solution of...
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Applying Machine Learning to Computational Chemistry: Can We Predict Molecular Properties Faster without Compromising Accuracy?
14 Aug 2017 | | Contributor(s):: Hanjing Xu, Pradeep Kumar Gurunathan
Non-covalent interactions are crucial in analyzing protein folding and structure, function of DNA and RNA, structures of molecular crystals and aggregates, and many other processes in the fields of biology and chemistry. However, it is time and resource consuming to calculate such interactions...
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Computational Catalysis with Density Functional Theory
08 Aug 2018 | | Contributor(s):: Kevin Greenman, Peilin Liao
Heterogeneous catalysis is used in a significant portion of production processes in the industrialized world, which makes maximizing the efficiency of catalysts a high priority. However, the immense number of candidates for new catalysts precludes the possibility of testing all of them by...
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Deep Machine Learning for Machine Performance and Damage Prediction
08 Aug 2018 | | Contributor(s):: Elijah Reber, Nickolas D Winovich, Guang Lin
Deep learning has provided opportunities for advancement in many fields. One such opportunity is being able to accurately predict real world events. Ensuring proper motor function and being able to predict energy output is a valuable asset for owners of wind turbines. In this paper, we look at...
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Development of a NanoHUB Tool: Mechanical Features of Crystalline Nano Cellulose
07 Aug 2017 | | Contributor(s):: Joshua Leonardo, Mehdi Shishehbor, Pablo Daniel Zavattieri
In the past decade, many researchers have studied mechanical properties of polymer reinforced nanocomposites to understand and improve the performance of materials. In this research, we would develop a tool that would conduct a mechanical test on structures of a nanocomposite called Crystalline...
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Dynamic Failure of Polymer-Bonded Explosives under Periodic Excitation
07 Aug 2017 | | Contributor(s):: Rachel Katherine Kohler, Camilo Alberto Duarte, Marisol Koslowski
Accidental mishandling of explosive materials leads to thousands of injuries in the US every year. Understanding the mechanisms behind the detonation process is crucial to prevent such accidents. In polymer-bonded explosives (PBX), high-frequency mechanical excitation generates thermal energy and...
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Efficient Exploration of Quantified Uncertainty in Granular Crystals
16 Mar 2016 | | Contributor(s):: Juan Camilo Lopez
This work presents a way of quantifying uncertainty in granular crystals in a computationally efficient way. To accomplish this, a low dimensional response surface is approximated through the method of active subspaces. Within this framework, special structure within the inputs is exploited to...
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Electronic and Thermoelectric Characterization of Materials from Ab Initio Calculations
15 Aug 2017 | | Contributor(s):: Gustavo Javier, David M Guzman, Austin Jacob Zadoks, Alejandro Strachan
We present the Optimized Workflow for Electronic and Thermoelectric Properties (OWETP) python notebook, which uses Density Functional Theory (DFT) as implemented in the Quantum Espresso code for electronic properties of materials. The OWETP python notebook also enables connecting to the Materials...
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Grain Boundary Motion Analysis
08 Aug 2018 | | Contributor(s):: Jeremy Seiji Marquardt, Xiaorong Cai, Marisol Koslowski
Grain growth is a mechanism to relax residual stresses in thin films. These grains grow out of the thin film surface and are known as whiskers. These whiskers can cause short circuits, so developing scalable and cost effective solutions would increase the reliability and...
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Image Analysis of a Vesicle to Calculate the Bending Modulus
10 Oct 2019 | | Contributor(s):: Pheobe Jane Appel, Charlie Lin, Vivek Narsimhan
The cell membrane is an essential component of living cells; the dynamics of the membrane will provide insight into how a biological cell will react to mechanical strain. Membrane mechanics are important in a variety of cellular processes like secretion, trafficking, signaling, and storage....
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Modeling High-Efficiency Rear Junction Photovoltaic Devices
07 Aug 2017 | | Contributor(s):: Valerie C Vidal, Allison Perna, Peter Bermel
Solar cells are a renewable energy technology that has begun to supply energy in many regions of the world at a utility scale. Nonetheless, further improvements in solar technology are still needed to help reduce costs and increase adoption. Many researchers have been particularly interested in...
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Modelling of Phase Transforming Cellular Material (PXCM)
28 Aug 2017 | | Contributor(s):: Chidubem Nuela Enebechi, Yunlan Zhang, David Restrepo Arango, Pablo Daniel Zavattieri, Nilesh Mankame
Phase transforming cellular materials (PXCMs) are a new class of materials that can go through large deformation and return to their original configuration. Currently, there are reliable cellular materials that can resist large deformation, for example, honey comb; however, when these materials...
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Nanomechanics Simulation Tool: Dislocations Make or Break Materials
16 Mar 2016 | | Contributor(s):: Michael N Sakano
The goal of computational material science is to improve existing materials and design new ones through mathematical calculations. In particular, molecular dynamic simulations can allow for visualization of dislocations in a material, along with its resulting behavior when under stress. For...
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Parallel Computation using MEMS Oscillator-based Computing System
14 Aug 2017 | | Contributor(s):: Xinrui Wang
In recent years, parallel computing systems such as artificial neural networks (ANNs) have been of great interest. In these systems which emulate the behavior of human brains, the processing is carried out simultaneously. However, it is still a challenging engineering problem to design highly...
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Predicting and Optimizing Solar Cell Performance with Material/Surface Characteristics
08 Aug 2018 | | Contributor(s):: Yiheng Zhu, Allison Perna, Peter Bermel
Renewable energy sources have begun replacing fossil fuels at the utility scale. In particular, photovoltaics has grown rapidly in recent years. To further improve solar technology in terms of cost and efficiency and promote adoption, researchers often seek material and device level...
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Predicting Locations of Pollution Sources using Convolutional Neural Networks
07 Aug 2017 | | Contributor(s):: Yiheng Chi, Nickolas D Winovich, Guang Lin
Pollution is a severe problem today, and the main challenge in water pollution controls and eliminations is detecting and locating pollution sources. This research project aims to predict the locations of pollution sources given diffusion information of pollution in the form of array or...
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PUMP: A tool of global meteorological data for optimizing
07 Aug 2017 | | Contributor(s):: Binglin Zhao, Xingshu Sun, Muhammad A. Alam
We have build a PUMP can facilitate the development and optimization of solar farms globally by providing quick access to various meteorological database. Solar energy is one of the top runners among the renewable energy. The design and...
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RadCool: a Web-enabled Simulation Tool for Radiative Cooling
14 Aug 2017 | | Contributor(s):: Yu-wen (Wendy) Lin, Evan L Schlenker, Zhou Zhiguang, Peter Bermel
Thermophotovoltaic (TPV) systems can generate electricity from high-temperature heat sources via thermal radiation. However, the intense heating of a photovoltaic (PV) cell can greatly reduce the overall efficiency of the system. Therefore, it is critical to develop techniques to keep the PV...
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Spectral Phonon Relaxation Time Calculation Tool Based on Molecular Dynamics
07 Aug 2017 | | Contributor(s):: Divya Chalise, Tianli Feng, Xiulin Ruan
Thermal conductivity is an important material property which affects the performance of a wide range of devices from thermoelectrics to nanoelectronics. Information about phonon vibration modes and phonon relaxation time gives significant insight into understanding and engineering...