RT dataset T1 Atomistic modeling of high energy irradiation in semiconductors A1 López Martín, Pedro A1 Pelaz Montes, María Lourdes A1 Marqués Cuesta, Luis Alberto A1 Aboy Cebrián, María A1 Santos Tejido, Iván A1 Martín Encinar, Luis A2 Universidad de Valladolid. Escuela Técnica Superior de Ingenieros de Telecomunicación K1 high energy irradiation K1 atomistic simulation K1 modeling K1 defects K1 semiconductor K1 acceptor removal K1 dopants K1 2211.25 Semiconductores K1 3307.91 Microelectrónica. Tecnología del Silicio AB This project aims to develop atomistic models based on physical mechanisms that are predictive and computationally efficient for simulating high-energy irradiation processes in semiconductors. In particular, irradiation with very high-energy neutrons and protons (MeV-GeV) is an inevitable process in devices operating in highly radioactive environments (radiation sensors, nuclear facilities, medical radiological equipment, etc.), causing a loss of performance and a reduction in their lifespan. We have established a multi-scale atomistic simulation methodology combining the Geant4 – BCA – kMC techniques, which allows us to obtain the spectrum of recoils produced by a given irradiation (particle type and energy), simulate their interaction with the semiconductor, and their effect on the activation of dopants. This Dataset includes the spectrum of PKAs resulting from neutron and proton irradiation in Si obtained with Geant4, the analysis of defects produced by low energy Si recoils as simulated by MD and BCA techniques, and the simulation with the kMC code DADOS of dopant deactivation (acceptor removal process) in p-type Si sensors induced by neutron an proton irradiation. YR 2026 FD 2026 LK https://uvadoc.uva.es/handle/10324/81351 UL https://uvadoc.uva.es/handle/10324/81351 LA eng NO Multiscale Materials Modeling Group NO INDEX1. GENERAL INFORMATION1.1 Title of Dataset1.2 Authorship1.2.1 IPs1.2.2 Researchers1.3 Research group1.4 Institution2. DESCRIPTION2.1 Dataset language2.2 Abstract2.3 Keywords2.4 Date of data collection2.5 Date of dataset publication2.6 Funding2.7 Geographic location/s of data collection3. ACCESS INFORMATION3.1 Dataset Creative Commons License3.2 Dataset DOI3.3 Related publication4. METHODOLOGICAL INFORMATION4.1 Description of methods used for collection-generation of data5. DATA5.1 File List5.2 Last update DS UVaDOC RD 06-feb-2026