Particle-Based Simulations of Electrophoretic Deposition with Adaptive Physics Models

Authors: Karnes, John J., Pascall, Andrew J., Rehbock, Christoph, Ramesh, Vaijayanthi, Worsley, Marcus A., Barcikowski, Stephan, Lee, Elaine, Giera, Brian

Subject Terms: Condensed Matter - Mesoscale and Nanoscale Physics, Condensed Matter - Materials Science, Physics - Computational Physics

Access URL: http://arxiv.org/abs/2306.15009

Isolating Chemical Reaction Mechanism as a Variable with Reactive Coarse-Grained Molecular Dynamics: Step-Growth versus Chain-Growth Polymerization

Authors: Karnes, John J., Weisgraber, Todd H., Cook, Caitlyn C., Wang, Daniel N., Crowhurst, Jonathan C., Fox, Christina A., Harris, Bradley S., Oakdale, James S., Faller, Roland, Shusteff, Maxim

Subject Terms: Condensed Matter - Materials Science, Condensed Matter - Soft Condensed Matter, Physics - Chemical Physics

Access URL: http://arxiv.org/abs/2210.01758

Particle-based simulations of electrophoretic deposition with adaptive physics models

Authors: Karnes, John J., Pascall, Andrew J., Rehbock, Christoph, Ramesh, Vaijayanthi, Worsley, Marcus A., Barcikowski, Stephan, Lee, Elaine, Giera, Brian

Source: In Computer Physics Communications April 2024 297

Development of a Reactive Force Field for Simulating Photoinitiated Acrylate Polymerization

Authors: Huang, Yihan, Karnes, John J., Shusteff, Maxim, Faller, Roland

Source: Journal of physical chemistry.B. 127(22):5094-5101

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN632881689&indx=1&recIds=ETOCRN632881689

Post-Hydration Crosslinking of Ion Exchange Membranes to Control Water Content

Authors: Barnett, Adam, Karnes, John J., Clemens, Auston L., Oakdale, James S., Molinero, Valeria

Source: Journal of physical chemistry.C. 127(11):5613-5621

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN632134422&indx=1&recIds=ETOCRN632134422

Modeling meso- and microstructure in materials patterned with acoustic focusing

Authors: Melchert, Drew S., Johnson, Keith, Giera, Brian, Fong, Erika J., Shusteff, Maxim, Mancini, Julie, Karnes, John J., Cobb, Corie L., Spadaccini, Christopher, Gianola, Daniel S., Begley, Matthew R.

Source: In Materials & Design April 2021 202

Transfer of an erbium ion across the water/dodecane interface: Structure and thermodynamics via molecular dynamics simulations

Authors: Karnes, John J., Villavicencio, Nathan, Benjamin, Ilan

Source: In Chemical Physics Letters 16 December 2019 737

Degradation of Anion Exchange Membranes by Cation Elimination: Impact on Water Uptake, Nanostructure, and Ionic Mobility.

Authors: Erimban, Shakkira, Bombau, Ignacio J., Karnes, John J., Molinero, Valeria

Source: Journal of Physical Chemistry C; 7/4/2024, Vol. 128 Issue 26, p11033-11045, 13p

On the local intermolecular ordering and dynamics of liquid chloroform

Authors: Karnes, John J., Benjamin, Ilan

Source: In Journal of Molecular Liquids December 2017 248:121-126

Ultraviolet-Activated Solid-State Nitrene Cross-Linking: A Scalable Pathway to Prolonged Lifespan in Anion Exchange Membranes.

Authors: Clemens, Auston L., Cerón, Maira R., Ferron, Thomas J., Mettry-Yassa, Magi, Hammons, Joshua A., Jayathilake, Buddhinie, Molinero, Valeria, Karnes, John J., Oakdale, James S.

Source: ACS Applied Polymer Materials; 4/26/2024, Vol. 6 Issue 8, p4419-4430, 12p

Virtual Volumetric Additive Manufacturing (VirtualVAM).

Authors: Weisgraber, Todd H.¹, weisgraber2@llnl.gov, de Beer, Martin P.¹, Huang, Sijia¹, Karnes, John J.¹, Cook, Caitlyn C.¹, Shusteff, Maxim¹

Source: Advanced Materials Technologies; 12/13/2023, Vol. 8 Issue 23, p1-11, 11p

Isolating Chemical Reaction Mechanism as a Variable with Reactive Coarse-Grained Molecular Dynamics: Step-Growth versus Chain-Growth Polymerization.

Authors: Karnes, John J., Weisgraber, Todd H., Cook, Caitlyn C., Wang, Daniel N., Crowhurst, Jonathan C., Fox, Christina A., Harris, Bradley S., Oakdale, James S., Faller, Roland, Shusteff, Maxim

Source: Macromolecules; 3/28/2023, Vol. 56 Issue 6, p2225-2233, 9p

Tuning Alkaline Anion Exchange Membranes through Crosslinking: A Review of Synthetic Strategies and Property Relationships.

Authors: Clemens, Auston L., Jayathilake, Buddhinie S., Karnes, John J., Schwartz, Johanna J., Baker, Sarah E., Duoss, Eric B., Oakdale, James S.

Source: Polymers (20734360); Mar2023, Vol. 15 Issue 6, p1534, 33p

Subject Terms: ION-permeable membranes, ALKALINE fuel cells, PROTON exchange membrane fuel cells, FLOW batteries, FUEL cells, ELECTROLYTIC cells, WATER management, ALKALINE batteries

Miscibility at the immiscible liquid/liquid interface: A molecular dynamics study of thermodynamics and mechanism

Authors: Karnes, John J., Benjamin, Ilan

Source: Journal of chemical physics. 148(3)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100090373399.0x000001&indx=1&recIds=ETOCvdc_100090373399.0x000001

Exponential Water Uptake in Ionomer Membranes Results from Polymer Plasticization.

Authors: Barnett, Adam, Karnes, John J., Lu, Jibao, Major Jr., Dale R., Oakdale, James S., Grew, Kyle N., McClure, Joshua P., Molinero, Valeria

Source: Macromolecules; 8/9/2022, Vol. 55 Issue 15, p6762-6774, 13p

A Hybrid Quantum–Classical Study of Ion Adsorption at the Copper Electrode.

Authors: Karnes, John J., Weitzner, Stephen E., Akhade, Sneha A., Baker, Sarah E., Duoss, Eric B., Varley, Joel B.

Source: Journal of Physical Chemistry C; 8/4/2022, Vol. 126 Issue 30, p12413-12423, 11p

Fuzzy Rule-Building Expert System Classification of Fuel Using Solid-Phase Microextraction Two-Way Gas Chromatography Differential Mobility Spectrometric Data.

Authors: Rearden, Preshious, Harrington, Peter B., Karnes, John J.

Source: Analytical Chemistry; February 15 2007, Vol. 79 Issue 4, p1485-1491, 7p

Geometric and energetic considerations of surface fluctuations during ion transfer across the water-immiscible organic liquid interface.

Authors: Karnes, John J.¹, Benjamin, Ilan¹ benjamin@chemistry.ucsc.edu

Source: Journal of Chemical Physics. 2016, Vol. 145 Issue 1, p014701-1-14701-11. 11p. 1 Color Photograph, 8 Graphs.

Subject Terms: *MOLECULAR dynamics, *HYDROPHILIC interactions, *NITROBENZENE, *THERMODYNAMICS, *FREE energy (Thermodynamics)

Comparing Direct and Pulsed-Direct Current Electrophoretic Deposition on Neural Electrodes: Deposition Mechanism and Functional Influence

Authors: Ramesh, Vaijayanthi, Rehbock, Christoph, Giera, Brian, Karnes, John J., Forien, Jean-Baptiste, Angelov, Svilen D., Schwabe, Kerstin, Krauss, Joachim K., Barcikowski, Stephan

Source: Langmuir; August 2021, Vol. 37 Issue: 32 p9724-9734, 11p

Deconstructing the Local Intermolecular Ordering and Dynamics of Liquid Chloroform and Bromoform

Authors: Karnes, John. J, Benjamin, Ilan

Source: The Journal of Physical Chemistry - Part B; April 2021, Vol. 125 Issue: 14 p3629-3637, 9p