A5046621126- Fusion materials and technologies
- Nuclear Materials and Properties
- Magnetic confinement fusion research
- Advanced Chemical Physics Studies
- Nuclear Physics and Applications
- Molecular Junctions and Nanostructures
- Metal and Thin Film Mechanics
- Laser-induced spectroscopy and plasma
- Atomic and Molecular Physics
- Fullerene Chemistry and Applications
- Machine Learning in Materials Science
- Mass Spectrometry Techniques and Applications
- Superconducting Materials and Applications
- Nuclear reactor physics and engineering
- Muon and positron interactions and applications
- Earthquake Detection and Analysis
- Molecular Sensors and Ion Detection
- Crystallography and molecular interactions
- Diamond and Carbon-based Materials Research
- Power Transformer Diagnostics and Insulation
- Ion-surface interactions and analysis
Universität Innsbruck
2018-2023
Southwestern Institute of Physics
2017-2020
Data-driven science and technology offer transformative tools methods to science. This review article highlights the latest development progress in interdisciplinary field of data-driven plasma (DDPS), i.e., whose is driven strongly by data analyses. Plasma considered be most ubiquitous form observable matter universe. Data associated with plasmas can, therefore, cover extremely large spatial temporal scales, often provide essential information for other scientific disciplines. Thanks...
Abstract The Joint European Torus (JET) fusion reactor was upgraded to the metallic wall configuration in 2011 which consisted of bulk beryllium (Be) tiles main chamber and tungsten (W) W-coated CFC divertor (Matthews G.F. et al Phys. Scr. T148 014001). During each campaign, a series damages were observed; on upper dump plates (UDP) positioned top part vessel walls inner wall—mainly affecting guard limiters (IWGL). In both cases, it concluded that causes these unmitigated plasma disruptions....
Fine-grain tungsten alloys could be one of the solutions for plasma facing materials future DEMO reactors. In order to evaluate service performances newly developed W under edge irradiation and synergetic effect fusion together with high heat flux, both low energy He ions H, H/He mixed neutral beam on W-ZrC, W-K, W-Y2O3, W-La2O3 CVD-W coating were performed respectively at a liner facility (Dalian Nationality University, China) GLADIS (IPP, Germany). Surface damages characterized, crack...
A comparative study of bond lengths, atomization energies and vibrational frequencies for a set neutral molecules Ben, BenHm, Wn, WnBem, WnHm with m + n ≤ 4 in their ground state is presented. We compare 16 density functionals chosen from rungs 1 to Jacob's ladder Hartree–Fock results Coupled Cluster calculations. For energies, ωB97XD, closely followed by B97D, M06, B3LYP M11, shows the best performance while ωB97XD HSEH1PBE are most faithful reproducing lengths. The ranking sequence...
Machine learning approaches have been successfully employed in many fields of computational chemistry and physics. However, atomistic simulations driven by machine-learned forces are still very challenging. Here we show that reactive self-sputtering from a beryllium surface can be simulated using neural network trained with an accuracy rivals or exceeds other approaches. The key machine density functional theory calculations is well-balanced complete training set energies forces. We...
Abstract Material erosion and fuel retention will limit the life performance of thermonuclear fusion reactors. In this work, sputtering, reflection processes are atomistically modeled by simulating non-cumulative sputtering deuterium projectiles on a beryllium–tungsten alloy surface. The forces for molecular dynamics trajectories were machine learned from density functional theory with neural network architecture. Our data confirms supplements previous results simulated rates. scenario we...
The thermal performance of the divertor Langmuir probe conceptual design developed for ITER divertor, which consists a shielded bolted to copper heat sink, has been predicted by finite element analysis package ANSYS have high risk damage due poor transfer ability. In order mitigate this risk, three alternative designs focusing on improving conduction proposed, and power-handling abilities, interface challenges compared. First simulation results indicate that involving casting tungsten sensor...
Ionic complexes between gold and C60 have been observed for the first time. Cations anions of type [Au(C60)2]+/– are shown to particular stability. Calculations suggest that these ions adopt a C60–Au–C60 sandwich-like (dumbbell) structure, which is reminiscent [XAuX]+/– previously much smaller ligands. The can be regarded as Au(I) complexes, regardless whether net charge positive or negative, but in both cases, transfer Au incomplete, most likely because covalent contribution Au–C60 binding....
Abstract Sputtering from plasma-facing surfaces upon particle impact can limit the lifetime of components in fusion devices, especially diverter region. Atomistic simulations processes associated with plasma–wall interactions allow for a detailed analysis sputtering, reflection and adsorption. Most former works beryllium sputtering by hydrogen isotopes were aimed mostly on yield. We investigate influence energy angle analyze these quantities also outgoing particle. model non-cumulative...
Abstract Atomistic simulations with machine-learned potential energy functions are employed for understanding the mechanisms driving sputtering of beryllium by low-energy deuterium and tritium atoms details their retention on pristine surfaces. The interaction between hydrogen/deuterium/tritium surfaces regarding erosion yields is investigated molecular dynamics simulations. both hydrogen isotopes similar same kinetic energies. Concentrating deuterium, its impact specific surface sites...
The binding, adsorption and removal energies of atoms on the surfaces Be with major orientations (112¯0) (112¯1), W Be/W alloys (110) (111) have been obtained from density functional theory calculations. An analysis adatom formation viable step processes is provided as well. Possible surface changes at conditions occurring during plasma-wall interactions are discussed. large differences energetic parameters for various terminations mean that atomistic modeling indeed essential understanding...
Betaine (Bet) is a pure zwitterion with an extraordinarily large dipole moment, which allows it to form stable clusters in the gas phase of X±BetN, where X± positive or negative ion. We show here that such have prominent magic number at N = 4 for all ions used this work. Nevertheless, we observe marked difference fragmentation pattern anionic and cationic clusters: while fragment by evaporating one betaine monomer time, through fission resulting emission several molecules. Theoretical...
Data science and technology offer transformative tools methods to science. This review article highlights latest development progress in the interdisciplinary field of data-driven plasma (DDPS). A large amount data machine learning algorithms go hand hand. Most data, whether experimental, observational or computational, are generated collected by machines today. It is now becoming impractical for humans analyze all manually. Therefore, it imperative train interpret (eventually) such as...
Beryllium and tungsten species can form by plasma-induced erosion of the walls a fusion reactor. Accurate fast evaluation energies geometries Be/W/H compounds is needed for direct molecular dynamics plasma-wall interface or generating training data potential energy surfaces. Density functional calculations serve this purpose but within magnitude suggested functionals no single one obvious choice. We investigate performance compact linear combinations density on some statistical machine...