Overfitting by design: neural network density functionals for water

npj Computational Materials

Authors:

Sam Vinko, Karim Alaa El-Din, Antonius von Strachwitz, Ana Coutinho Dutra

Preparations for a European R&D Roadmap for an Inertial Fusion Demo Reactor

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences Royal Society, The

Authors:

Peter Norreys, Luke Ceurvorst, James Sadler, Bt Spiers, Ramy Aboushelbaya, Marko Mayr, Robert Paddock, Alex Savin, Rhw Wang, K Glize, R Trines, R Bingham, Mp Hill, N Sircombe, M Ramsay, P Allan, L Hobbs, S James, J Skidmore, J Fyrth, J Luis, E Floyd, C Brown, Bm Haines, A Zlystra, Re Olson, Sa Yi, K Flippo, Pa Bradley, Rr Peterson, Jl Kline, Rj Leeper

Quantum Sensors for the Hidden Sector (QSHS) - A Summary of Our First Year!

Authors:

Ian Bailey, Bhaswati Chakraborty, Gemma Chapman, Ed Daw, Ling Hao, Edward Hardy, Edward Laird, Peter Leek, John Gallop, Gianluca Gregori, John March-Russell, Phil Meeson, Clem Mostyn, Yuri Pashkin, Searbhan O Peatain, Mitch Perry, Michele Piscitelli, Edward Romans, Subir Sarkar, Ningqiang Song, Mahesh Soni, Paul Smith, Boon-Kok Tan, Stephen West, Stafford Withington

Relativistic harmonics in the efficiency limit

Authors:

Robin Timmis, Colm Fitzpatrick, Jonathan Kennedy, Holly Huddleston, Elliott Denis, Abigail James, Chris Baird, Dan Symes, David McGonegle, Eduard Atonga, Heath Martin, Jeremy Rebenstock, John Neely, Jordan Lee, Nicolas Bourgeois, Oliver Finlay, Rusko Ruskov, Sam Astbury, Steve Hawkes, Matt Zepf, Karl Krushelnick, Edward Gumbrell, Paramel Pattathil Rajeev, Mark Yeung, Brendan Dromey, Peter Norreys

Shock and release of tantalum studied via molecular dynamics and femtosecond x-ray diffraction

Abstract:

The response of solid matter to shock compression is complexified considerably by its strength, or its ability to withstand shear stress. Strength is challenging to measure experimentally under shock conditions and even harder to model, due to its being an extremely complicated function of the loading conditions. Our understanding of material strength and the way it manifests under dynamic loading thus remains, to a great extent, incomplete. This work presents studies of two phenomena arising from strength under the conditions of shock compression and release by means of multimillion-atom molecular dynamics simulations and femtosecond x-ray diffraction. The role of shock-induced grain interactions is first explored via simulations of elementary polycrystals. Such interactions are found to control the plasticity mechanisms activated under shock compression and the limiting shear stress state to which the polycrystal settles in the wake of the shock. A combined experimental-computational study of plastic-work heating under the conditions of shock release is then presented. An algorithm for extracting the temperature of released samples from their diffraction image is derived and verified on synthetic data. When applied to experimental data, the algorithm shows that the temperatures of shock-released tantalum foils vastly exceed those expected from a conventional isentropic release. The underlying microphysical processes responsible for the heating are then interrogated via large-scale simulations of crystals under shock and release. A heat equation is used to identify plastic-work heating owed to the sample鈥檚 exceptional strength during its rapid release as the culprit, thus challenging the conventional assumption that shock release is a universally isentropic process.