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Register a new userRecent Developments on PIXE Simulation with Geant4
التطورات الأخيرة في تحليل بيكس باستخدام جيانت4
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تأثير الذرات المسبب لانبعاث الأشعة السينية (PIXE) هو تأثير فيزيائي هام لم يتم تصميمه بعد بشكل كاف في Geant4. يوفر هذا البحث تحليلا حاسما لمجال المشكلة المرتبطة بمحاكاة PIXE ويصف مجموعة من التطويرات البرمجية لتحسين محاكاة PIXE مع Geant4. تتم توضيح القدرات التي تم تطويرها للبرنامج النموذجي وتطبيقها على دراسة الحماية السلبية لمستشعرات الأشعة السينية لمجهر eROSITA الألماني في المسيرة الفضائية القادمة Spectrum-X-Gamma.
Particle induced X-ray emission (PIXE) is an important physical effect that is not yet adequately modelled in Geant4. This paper provides a critical analysis of the problem domain associated with PIXE simulation and describes a set of software developments to improve PIXE simulation with Geant4. The capabilities of the developed software prototype are illustrated and applied to a study of the passive shielding of the X-ray detectors of the German eROSITA telescope on the upcoming Russian Spectrum-X-Gamma space mission.
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Particle induced X-ray emission (PIXE) is a physical effect that is not yet adequately modelled in Geant4. The current status as in Geant4 9.2 release is reviewed and new developments are described. The capabilities of the software prototype are illustrated in application to the shielding of the X-ray detectors of the eROSITA telescope on the upcoming Spectrum-X-Gamma space mission.
We present {gamma} spectroscopy validation measurements for the Geant4 radioactive decay simulation for a selected range of isotopes using a simple experimental setup. Using these results we point out problems in the decay simulation and where they may originate from.
A review of the present status, recent enhancements, and applicability of the SIESTA program is presented. Since its debut in the mid-nineties, SIESTAs flexibility, efficiency and free distribution has given advanced materials simulation capabilities to many groups worldwide. The core methodological scheme of SIESTA combines finite-support pseudo-atomic orbitals as basis sets, norm-conserving pseudopotentials, and a real-space grid for the representation of charge density and potentials and the computation of their associated matrix elements. Here we describe the more recent implementations on top of that core scheme, which include: full spin-orbit interaction, non-repeated and multiple-contact ballistic electron transport, DFT+U and hybrid functionals, time-dependent DFT, novel reduced-scaling solvers, density-functional perturbation theory, efficient Van der Waals non-local density functionals, and enhanced molecular-dynamics options. In addition, a substantial effort has been made in enhancing interoperability and interfacing with other codes and utilities, such as Wannier90 and the second-principles modelling it can be used for, an AiiDA plugin for workflow automatization, interface to Lua for steering SIESTA runs, and various postprocessing utilities. SIESTA has also been engaged in the Electronic Structure Library effort from its inception, which has allowed the sharing of various low level libraries, as well as data standards and support for them, in particular the PSML definition and library for transferable pseudopotentials, and the interface to the ELSI library of solvers. Code sharing is made easier by the new open-source licensing model of the program. This review also presents examples of application of the capabilities of the code, as well as a view of on-going and future developments.
Radioactive decays are of concern in a wide variety of applications using Monte-Carlo simulations. In order to properly estimate the quality of such simulations, knowledge of the accuracy of the decay simulation is required. We present a validation of the original Geant4 Radioactive Decay Module, which uses a per-decay sampling approach, and of an extended package for Geant4-based simulation of radioactive decays, which, in addition to being able to use a refactored per-decay sampling, is capable of using a statistical sampling approach. The validation is based on measurements of calibration isotope sources using a high purity Germanium (HPGe) detector; no calibration of the simulation is performed. For the considered validation experiment equivalent simulation accuracy can be achieved with per-decay and statistical sampling.
A test of Geant4 simulation of electron backscattering recently published in this journal prompted further investigation into the causes of the observed behaviour. An interplay between features of geometry and physics algorithms implemented in Geant4 is found to significantly affect the accuracy of backscattering simulation in some physics configurations.
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