Monte Carlo simulation and unfolding of an extended Bonner sphere system for secondary neutron spectrometry in proton therapy facilities using conventional BSS experimental data [PDF]
Frontiers in OncologyThe extended-range Bonner Sphere Spectrometer (BSS) is a valuable tool for characterizing neutron fields in radiotherapy, including proton therapy facilities, where secondary neutrons contribute to the incidental dose received by the patient and staff ...
Adrián Díaz-Comeche +12 more
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NEXAFS Spectra Simulations of Nitrogen-Bearing Heterocycles [PDF]
ACS OmegaRicardo R. Oliveira +2 more
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Measurement of leakage neutron spectra with D-T neutrons and evaluated nuclear data [PDF]
EPJ Web of Conferences, 2020 Benchmarking of evaluated neutron nuclear data libraries was performed for ∼14.8 MeV neutrons on the several targets, such as gallium, graphite, silicon carbide, uranium and tungsten samples.
Han Rui +8 more
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Theoretical investigation of geometric configurations and vibrational spectra in citric acid complexes [PDF]
Materials Research, 2014 The performance of advanced electronic ceramics is directly related to the synthesis route employed. Sol-gel methods are widely used for this purpose. However, the physicochemical intermediate steps are still not well understood. Better understanding and
Rodrigo Marques Ferreira +5 more
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Structural Dynamics, 2021 Here we report the vibrational spectra of deprotonated serine calculated from the classical molecular dynamics (MD) simulations and thermostated ring-polymer molecular dynamics (TRPMD) simulation with third-order density-functional tight-binding.
V. S. Sandeep Inakollu, Haibo Yu
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Simulation of Fast-Reactor Spectra [PDF]
Journal of Nuclear Science and Technology, 1973 To simulate fast-reactor spectra, a simple shape function f(u; u/sub m/ ,B) with spectral parameters u/sub m/ and B has been derived by expanding the gross shape of the spectrnm into a series of Hermite functions. The parameters are determined by the moment method.
NISHIHARA, Hiroshi, OHTA, Masao
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Simulations and spectra of water in CO matrices [PDF]
Physical Chemistry Chemical Physics, 2017 Models to simulate water molecules embedded in CO matrices allow unbound water monomers to be identified from the observed infrared spectra.
Escribano, Rafael +6 more
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Evaluating Snow Microwave Radiative Transfer (SMRT) model emissivities with 89 to 243 GHz observations of Arctic tundra snow [PDF]
The Cryosphere, 2023 Improved modelling of snow emissivity is needed to improve the assimilation of surface-sensitive atmospheric sounding observations from satellites in polar regions for numerical weather prediction (NWP). This paper evaluates emissivity simulated with the
K. Wivell +5 more
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HSQC Spectra Simulation and Matching for Molecular Identification
Journal of Chemical Information and Modeling, 2023 In the pursuit of improved compound identification and database search tasks, this study explores Heteronuclear Single Quantum Coherence (HSQC) spectra simulation and matching methodologies. HSQC spectra serve as unique molecular fingerprints, enabling a valuable balance of data collection time and information richness.
Martin Priessner +5 more
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Self-consistent 3D Radiative Transfer for Kilonovae: Directional Spectra from Merger Simulations
The Astrophysical Journal Letters, 2023 We present 3D radiative transfer calculations for the ejecta from a neutron star merger that include line-by-line opacities for tens of millions of bound–bound transitions, composition from an r -process nuclear network, and time-dependent thermalization
Luke J. Shingles +9 more
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