Search Results - "GERMANN, Timothy C"

Rational Design of Highly Stable and Active MXene‐Based Bifunctional ORR/OER Double‐Atom Catalysts by Wei, Bo, Fu, Zhongheng, Legut, Dominik, Germann, Timothy C., Du, Shiyu, Zhang, Haijun, Francisco, Joseph S., Zhang, Ruifeng

“…Designing highly active and bifunctional oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) catalysts has attracted great interest toward…”
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Surface Electrochemical Stability and Strain‐Tunable Lithium Storage of Highly Flexible 2D Transition Metal Carbides by Chen, Shu, Fu, Zhongheng, Zhang, Hang, Legut, Dominik, Germann, Timothy C., Zhang, Qianfan, Du, Shiyu, Francisco, Joseph S., Zhang, Ruifeng

“…2D transition metal carbides and/or nitrides (MXenes) have attracted enormous attention because of their potential applications in energy storage, catalysis,…”
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Pore‐Scale Modeling of Carbon Dioxide and Hydrogen Transport During Geologic Gas Storage by Purswani, Prakash, Guiltinan, Eric J., Chen, Yu, Kang, Qinjun, Mehana, Mohamed Z., Neil, Chelsea W., Germann, Timothy C., Gross, Michael R.

“…Geologic storage of CO2 and H2 are climate‐positive techniques for meeting the energy transition. While similar formations could be considered for both gases,…”
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Mitigation Strategies for Pandemic Influenza in the United States by Germann, Timothy C., Kadau, Kai, Longini, Ira M., Macken, Catherine A.

“…Recent human deaths due to infection by highly pathogenic (H5N1) avian influenza A virus have raised the specter of a devastating pandemic like that of…”
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Symmetric tilt boundaries in body-centered cubic tantalum by Hahn, Eric N., Fensin, Saryu J., Germann, Timothy C., Meyers, Marc A.

“…Grain boundaries can play a significant role in the mechanical response of materials. Atomistic simulations are used to investigate 79 coincidence site lattice…”
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Modeling targeted layered containment of an influenza pandemic in the United States by Halloran, M. Elizabeth, Ferguson, Neil M, Eubank, Stephen, Longini, Ira M. Jr, Cummings, Derek A.T, Lewis, Bryan, Xu, Shufu, Fraser, Christophe, Vullikanti, Anil, Germann, Timothy C, Wagener, Diane, Beckman, Richard, Kadau, Kai, Barrett, Chris, Macken, Catherine A, Burke, Donald S, Cooley, Philip

“…Planning a response to an outbreak of a pandemic strain of influenza is a high public health priority. Three research groups using different individual-based,…”
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Cost effectiveness of preemptive school closures to mitigate pandemic influenza outbreaks of differing severity in the United States by Dauelsberg, Lori R, Maskery, Brian, Joo, Heesoo, Germann, Timothy C, Del Valle, Sara Y, Uzicanin, Amra

“…Nonpharmaceutical interventions (NPIs) may be considered as part of national pandemic preparedness as a first line defense against influenza pandemics…”
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High pressure suppression of plasticity due to an overabundance of shear embryo formation by Hamilton, Brenden W., Germann, Timothy C.

“…High pressure shear band formation is a critical phenomenon in energetic materials due to its influence on both mechanical strength and mechanochemical…”
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Encapsulation kinetics and dynamics of carbon monoxide in clathrate hydrate by Zhu, Jinlong, Du, Shiyu, Yu, Xiaohui, Zhang, Jianzhong, Xu, Hongwu, Vogel, Sven C., Germann, Timothy C., Francisco, Joseph S., Izumi, Fujio, Momma, Koichi, Kawamura, Yukihiko, Jin, Changqing, Zhao, Yusheng

“…Carbon monoxide clathrate hydrate is a potentially important constituent in the solar system. In contrast to the well-established relation between the size of…”
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School dismissal as a pandemic influenza response: When, where and for how long? by Germann, Timothy C., Gao, Hongjiang, Gambhir, Manoj, Plummer, Andrew, Biggerstaff, Matthew, Reed, Carrie, Uzicanin, Amra

“…•School dismissals are particularly effective in delaying the epidemic peak.•Dismissals at the city or county level yield the greatest reduction in disease…”
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Predictive scale-bridging simulations through active learning by Karra, Satish, Mehana, Mohamed, Lubbers, Nicholas, Chen, Yu, Diaw, Abdourahmane, Santos, Javier E., Pachalieva, Aleksandra, Pavel, Robert S., Haack, Jeffrey R., McKerns, Michael, Junghans, Christoph, Kang, Qinjun, Livescu, Daniel, Germann, Timothy C., Viswanathan, Hari S.

“…Throughout computational science, there is a growing need to utilize the continual improvements in raw computational horsepower to achieve greater physical…”
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EXTENDING THE TIME SCALE IN ATOMISTIC SIMULATION OF MATERIALS by Voter, Arthur F, Montalenti, Francesco, Germann, Timothy C

“…Obtaining a good atomistic description of diffusion dynamics in materials has been a daunting task owing to the time-scale limitations of the molecular…”
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Crystal structure and encapsulation dynamics of ice II-structured neon hydrate by Yu, Xiaohui, Zhu, Jinlong, Due, Shiyu, Xu, Hongwu, Voge, Sven C., Han, Jiantao, Germann, Timothy C., Zhang, Jianzhong, Jin, Changqing, Francisco, Joseph S., Zhao, Yusheng

“…Neon hydrate was synthesized and studied by in situ neutron diffraction at 480 MPa and temperatures ranging from 260 to 70 K. For the first time to our…”
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Microscopic View of Structural Phase Transitions Induced by Shock Waves by Kadau, Kai, Germann, Timothy C., Lomdahl, Peter S., Holian, Brad Lee

“…Multimillion-atom molecular-dynamics simulations are used to investigate the shock-induced phase transformation of solid iron. Above a critical shock strength,…”
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Atomistic methods in fluid simulation by Kadau, Kai, Barber, John L., Germann, Timothy C., Holian, Brad L., Alder, Berni J.

“…Atomistic methods, such as molecular dynamics and direct simulation Monte Carlo, constitute a powerful and growing set of techniques for fluid-dynamics…”
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Rational Design of Flexible Two-Dimensional MXenes with Multiple Functionalities by Fu, Zhongheng, Wang, Ning, Legut, Dominik, Si, Chen, Zhang, Qianfan, Du, Shiyu, Germann, Timothy C, Francisco, Joseph S, Zhang, Ruifeng

“…In the past decade, two-dimensional (2D) transition metal carbides, nitrides, and carbonitrides (MXenes) have attracted attention and interest from the…”
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Assessing K-12 school reopenings under different COVID-19 Spread scenarios – United States, school year 2020/21: A retrospective modeling study by Germann, Timothy C., Smith, Manhong Z., Dauelsberg, Lori R., Fairchild, Geoffrey, Turton, Terece L., Gorris, Morgan E., Ross, Chrysm Watson, Ahrens, James P., Hemphill, Daniel D., Manore, Carrie A., Del Valle, Sara Y.

“…School-age children play a key role in the spread of airborne viruses like influenza due to the prolonged and close contacts they have in school settings. As a…”
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importance of fluctuations in fluid mixing by Kadau, Kai, Rosenblatt, Charles, Barber, John L, Germann, Timothy C, Huang, Zhibin, Carlès, Pierre, Alder, Berni J

“…A ubiquitous example of fluid mixing is the Rayleigh-Taylor instability, in which a heavy fluid initially sits atop a light fluid in a gravitational field. The…”
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Co-design in the Exascale Computing Project by Germann, Timothy C

“…We provide an overview of the six co-design centers within the U.S. Department of Energy’s Exascale Computing Project, each of which is described in more…”
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On the ultimate tensile strength of tantalum by Hahn, Eric N., Germann, Timothy C., Ravelo, Ramon, Hammerberg, James E., Meyers, Marc A.

“…Strain rate, temperature, and microstructure play a significant role in the mechanical response of materials. Using non-equilibrium molecular dynamics…”
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