Search Results - "Ugwumadu, C."

Ab Initio Simulation of Amorphous Graphite by Thapa, R., Ugwumadu, C., Nepal, K., Trembly, J., Drabold, D. A.

“…An amorphous graphite material has been predicted from molecular dynamics simulation using ab initio methods. Carbon materials reveal a strong proclivity to…”
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Physical origin of enhanced electrical conduction in aluminum-graphene composites by Nepal, K., Ugwumadu, C., Subedi, K. N., Kappagantula, K., Drabold, D. A.

“…The electronic and transport properties of aluminum-graphene composite materials were investigated using the ab initio plane wave density functional theory…”
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Self-Assembly and the Properties of Micro-Mesoporous Carbon by Ugwumadu, C., Thapa, R., Nepal, K., Gautam, A., Al-Majali, Y., Trembly, J., Drabold, D. A.

“…This study introduces a new approach for constructing atomistic models of nanoporous carbon by randomly distributing carbon atoms and pore volumes in a…”
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Improved photocatalytic performance via air‐plasma modification of titanium dioxide: Insights from experiments and simulations by Ugwumadu, C., Ibukun, O., Jeong, H. K., Drabold, D. A.

“…Commercial titanium dioxide is successfully plasma‐treated under ambient conditions for different periods, leading to reduced crystallite size and the creation…”
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Electronic conductivity in metal-graphene composites: the role of disordered carbon structures, defects, and impurities by Nepal, K, Ugwumadu, C, Gautam, A, Kappagantula, Keerti, Drabold, D A

“…This paper explores the transport properties of aluminum-carbon composite material via ab initio methods. Interfacial and electronic dynamics of the…”
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Simulation of multi-shell fullerenes using Machine-Learning Gaussian Approximation Potential by Ugwumadu, C., Nepal, K., Thapa, R., Lee, Y.G., Al Majali, Y., Trembly, J., Drabold, D.A.

“…•Multi-shell fullerenes “buckyonions” were simulated using Machin-Learning Gaussian Approximation Potential.•The energies of the models were validated ex post…”
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Structure, vibrations and electronic transport in silicon suboxides: Application to physical unclonable functions by Ugwumadu, C., Subedi, K.N., Thapa, R., Apsangi, P., Swain, S., Kozicki, M.N., Drabold, D.A.

“…•Silicon Suboxides are viable candidates for Physical Unclonable Function device fabrication.•Space Projected Conductivity formalism was implemented to study…”
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Ab initio simulation of amorphous GeSe 3 and GeSe 4 by Thapa, R., Ugwumadu, C., Nepal, K., Drabold, D.A., Shatnawi, M.T.M.

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The effects of crystal orientation and common coal impurities on electronic conductivity in copper–carbon composites by Nepal, K., Ugwumadu, C., Kraft, F., Al-Majali, Y., Drabold, D.A.

“…The electronic conduction properties of copper–graphene composite materials including common coal impurities are studied. Exploring the transport properties…”
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Physical origin of enhanced electrical conduction in aluminum-graphene composites by Nepal, K., Ugwumadu, C., Subedi, K. N., Kappagantula, K., Drabold, D. A.

“…In this study, the electronic and transport properties of aluminum-graphene composite materials were investigated using the ab initio plane wave density…”
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Ab initio simulation of amorphous GeSe3 and GeSe4 by Thapa, R., Ugwumadu, C., Nepal, K., Drabold, D.A., Shatnawi, M.T.M.

“…The structural, vibrational, and electronic properties of glassy GeSe4 were studied, in conjunction with GeSe3, using an approach combining Reverse Monte Carlo…”
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Atomistic-to-continuum modeling of carbon foam: A new approach to finite element simulation by Ugwumadu, C., Downs, W., O’Brien, C., Thapa, R., Olson, R., Wisner, B., Ali, M., Trembly, J., Al-Majali, Y., Drabold, D.A.

“…Carbon foam materials exhibit useful characteristics for unique and diverse applications. However, accurately modeling three-dimensional carbon foam remains a…”
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Electronic conductivity in metal-graphene composites: the role of disordered carbon structures, defects, and impurities by Nepal, K., Ugwumadu, C., Gautam, A., Kappagantula, Keerti, Drabold, D. A.

“…Abstract This paper explores the transport properties of aluminum-carbon composite material via ab initio methods. Interfacial and electronic dynamics of the…”
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Simulation of multi-shell fullerenes using Machine-Learning Gaussian Approximation Potential by Ugwumadu, C., Nepal, K., Thapa, R., Lee, Y. G., Al Majali, Y., Trembly, J., Drabold, D. A.

“…Multi-shell fullerenes ”buckyonions ” were simulated, starting from initially random configurations, using a density-functional-theory (DFT)-trained…”
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Sensitivity Calibrations of K- and L-shell X-ray Lines for Elemental Analysis of Air Particulate Samples Using a Handheld XRF Spectrometer by Abiye, O. E., Ugwumadu, C. E., Kamara, A. J., Felizardo, J. P., Sannoh, A.

“…The portability, ease of use, relative lower cost of procurement and simple maintenance of a handheld X-ray fluorescence analyzer makes it a potential…”
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Site-projected Thermal Conductivity: Application to defects, interfaces, and homogeneously disordered materials by Gautam, A, Lee, Y. G, Ugwumadu, C, Nepal, K, Nakhmanson, S, Drabold, D. A

“…With the rapid advance of high-performance computing and electronic technologies, understanding thermal conductivity in materials has become increasingly…”
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Electronic Conductivity in Metal-Graphene Composites: The Role of Disordered Carbon Structures, Defects, and Impurities by Nepal, K, Ugwumadu, C, Gautam, A, Kappagantula, K, Drabold, D. A

“…This paper explores the transport properties of aluminum-carbon composite material via ab initio methods. Interfacial and electronic dynamics of the…”
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Improved Photocatalytic Performance via Air-Plasma Modification of Titanium Dioxide: Insights from Experimental and Simulation Investigation by Ugwumadu, C, Olaniyan, I, Jeong, H. K, Drabold, D. A

“…Commercial titanium dioxide is successfully plasma-treated under ambient conditions for different time periods, leading to reduced crystallite size and the…”
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Physical origin of enhanced electrical conduction in aluminum-graphene composites by Nepal, K, Ugwumadu, C, Subedi, K. N, Kappagantula, K, Drabold, D. A

“…The electronic and transport properties of aluminum-graphene composite materials were investigated using ab initio plane wave density functional theory. The…”
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Atomistic Nature of Amorphous Graphite by Ugwumadu, C, Nepal, K, Thapa, R, Drabold, D. A

“…This paper focuses on the structural, electronic, and vibrational features of amorphous graphite [R. Thapa $\textit{et. al.}$, Phys. Rev. Lett. 128, 236402…”
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