Zobrazeno 1 - 10
of 59
pro vyhledávání: '"Ugwumadu C"'
With the rapid advance of high-performance computing and electronic technologies, understanding thermal conductivity in materials has become increasingly important. This study presents a novel method: the Site-projected Thermal Conductivity (SPTC) th
Externí odkaz:
http://arxiv.org/abs/2410.03332
The electronic and transport properties of aluminum-graphene composite materials were investigated using ab initio plane wave density functional theory. The interfacial structure is reported for several configurations. In some cases, the face-centere
Externí odkaz:
http://arxiv.org/abs/2401.02348
This paper explores the transport properties of aluminum-carbon composite material via ab initio methods. Interfacial and electronic dynamics of the aluminum-graphene interface structure were investigated using models of amorphous graphene added to a
Externí odkaz:
http://arxiv.org/abs/2311.17649
Commercial titanium dioxide is successfully plasma-treated under ambient conditions for different time periods, leading to reduced crystallite size and the creation of oxygen vacancies. Density functional theory-based calculations reveal the emergenc
Externí odkaz:
http://arxiv.org/abs/2309.01326
Autor:
Ugwumadu, C., Olson III, R., Smith, N. L., Nepal, K., Al-Majali, Y., Trembly, J., Drabold, D. A.
This study describes computer simulations of carbonization and graphite formation, including the effects of hydrogen, nitrogen, oxygen, and sulfur. We introduce a novel technique to simulate carbonization, "Simulation of Thermal Emission of Atoms and
Externí odkaz:
http://arxiv.org/abs/2308.16091
We investigate the electronic transport properties of copper-graphene composites using a density-functional framework. Conduction in composites by varying the interface distance of a copper/graphene/copper (Cu/G/Cu) interface models was studied. The
Externí odkaz:
http://arxiv.org/abs/2211.16625
Amorphous carbon nanotubes (a-CNT) with up to four walls and sizes ranging from 200 to 3200 atoms have been simulated, starting from initial random configurations and using the Gaussian Approximation Potential [Phys. Rev. B 95, 094203 (2017)]. The im
Externí odkaz:
http://arxiv.org/abs/2210.05045
This paper focuses on the structural, electronic, and vibrational features of amorphous graphite [R. Thapa $\textit{et. al.}$, Phys. Rev. Lett. 128, 236402 (2022)]. The structure order in amorphous graphite is discussed and compared with graphite and
Externí odkaz:
http://arxiv.org/abs/2208.13892
Multi-shell fullerenes "buckyonions" were simulated, starting from initially random configurations, using a density-functional-theory (DFT)-trained machine-learning carbon potential within the Gaussian Approximation Potential (ML-GAP) Framework [Volk
Externí odkaz:
http://arxiv.org/abs/2208.06462
Autor:
Ugwumadu, C., Downs, W., O’Brien, C., Thapa, R., Olson, R., III, Wisner, B., Ali, M., Trembly, J., Al-Majali, Y., Drabold, D.A.
Publikováno v:
In Carbon October 2024 229
