Daniel R. Mason Duc Nguyen-Manh Victor W. Lindblad Fredric G. Granberg Mikhail Yu. Lavrentiev
We describe the parameterization of a tungsten-hydrogen empirical potential designed for use with large-scale molecular dynamics simulations of highly irradiated tungsten containing hydrogen isotope atoms, and report test results. Particular attention has been paid to getting good elastic properties, including the relaxation volumes of small def…
PublishedPui-Wai Ma Daniel R. Mason Steven Van Boxel Sergei L. Dudarev
We simulate effects of irradiation on nanocrystalline tungsten in the athermal high dose limit using the creation-relaxation algorithm, where microstructural evolution is driven not by thermally activated diffusion, but by fluctuating stresses resulting from the production and relaxation of defects. Over the entire interval of radiation exposure sp…
Preprint PublishedDaniel Padrão David Hancock James Paterson Frank Schoofs Christopher Tuck Ian Maskery
Heat sinks have manifold applications, from micro-electronics to nuclear fusion reactors. Their performance expectations will continue to increase in line with the power consumption and miniaturisation of technology. Additive manufacturing enables the creation of novel, compact heat sinks with greater surface-to-volume ratios and geometrical comple…
Preprint PublishedAlexey Mishchenko Daniel Kennedy Per Helander Axel Konies Gabriel Plunk Pavlos Xanthopoulos Alessandro Zocco
In this paper, we summarize our recent work on gyrokinetic applications in electron- positron and non-neutral plasma. The electrostatic stability of electron-positron plasmas was investigated in dipole and slab geometry, with and without ion admixture. The gyrokinetic dispersion relation was derived and, for the slab case, extended to non-neutra…
PreprintPaul Wrigley Paul Wood Sam O'Neill Daniel Robertson Richard Hall Jason Joannou
New Technologies such as High Temperature Superconducting magnets and advanced computing in Fusion Reactors, Advanced Generation IV Reactor Technologies or Off-Site Modular Construction are exciting developments in low carbon energy. Modular Reactors enable “factory shop build and transport to site” according to the International Atomic Ener…
Preprint PurchaseWei Wang Daniel S Balint Amir A Shirzadi Yaping Wang Junyi Lee Lee Aucott Jun Jiang
Understanding the effects of interfacial micro-structures/-defects such as voids, grain boundaries (GB) and partial recrystallization (Rx) is critical to achieving superior mechanical properties for safety-critical parts. These features may appear during advanced manufacturing processes such as sintering, additive manufacturing (AM), and diffusi…
Preprint PublishedDaniel Kennedy Bhavin S Patel Colin M Roach
Microinstabilities often result in turbulence that influences energy confinement in tokamak discharges. One such microinstability, of particular importance to the design of next-generation spherical tokamaks (STs) such as STEP [1], is the microtearing mode (MTM), a tearing-parity mode centred on high-order rational surfaces. MTMs are short-wavel…
PreprintDaniel R. Mason Abdallah Reza Fredric Granberg Felix Hofmann
The changing thermal conductivity of an irradiated material is among the principal design considerations for any nuclear reactor, but at present few models are capable of predicting these changes starting from an arbitrary atomistic model. Here we present a simple model for computing the thermal diffusivity of tungsten, based on the conductivity…
Preprint PurchaseDaniel R. Mason Fredric Granberg Max Boleininger Thomas Schwarz-Selinger Kai Nordlund Sergei L. Dudarev
Hydrogen isotopes are retained in materials for fusion power applications, changing both hydrogen embrittlement and tritium inventory as the microstructure undergoes irradiation damage. But modelling of the highly damaged regime – over 0.1 displacements per atom (dpa) – where asymptotic saturation is observed, is difficult because a highly dama…
Preprint PurchaseMarkus Kuhbach Andrew J. London Jing Wang Daniel K. Schreiber FranciscaMendez-Martin Iman Ghamarian Huma Bilal Anna Ceguerra
Atom probe tomography and related methods probe the 3D architecture of a material. Which software tools microscopists use and how these tools are connected into work flows makes a substantial contribution to the accuracy and precision of a materials characterization experiment. Typically, the tools of a specific community adapt results and methods …
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