Search results for " SIMULATIONS"
showing 10 items of 243 documents
Understanding and Controlling Food Protein Structure and Function in Foods: Perspectives from Experiments and Computer Simulations
2020
The structure and interactions of proteins play a critical role in determining the quality attributes of many foods, beverages, and pharmaceutical products. Incorporating a multiscale understanding of the structure–function relationships of proteins can provide greater insight into, and control of, the relevant processes at play. Combining data from experimental measurements, human sensory panels, and computer simulations through machine learning allows the construction of statistical models relating nanoscale properties of proteins to the physicochemical properties, physiological outcomes, and tastes of foods. This review highlights several examples of advanced computer simulations at mol…
Systematic uncertainties from halo asphericity in dark matter searches
2015
Although commonly assumed to be spherical, dark matter halos are predicted to be non-spherical by N-body simulations and their asphericity has a potential impact on the systematic uncertainties in dark matter searches. The evaluation of these uncertainties is the main aim of this work, where we study the impact of aspherical dark matter density distributions in Milky-Way-like halos on direct and indirect searches. Using data from the large N-body cosmological simulation Bolshoi, we perform a statistical analysis and quantify the systematic uncertainties on the determination of local dark matter density and the so-called $J$ factors for dark matter annihilations and decays from the galactic …
GEANT4 simulation of the neutron background of the C6D6 set-up for capture studies at n_TOF
2014
The neutron sensitivity of the C6D6 detector setup used at n_TOF facility for capture measurements has been studied by means of detailed GEANT4 simulations. A realistic software replica of the entire n_TOF experimental hall, including the neutron beam line, sample, detector supports and the walls of the experimental area has beeni mplemented in the simulations. The simulations have been analyzed in the same manner as experimental data, in particular by applying the Pulse Height Weighting Technique. The simulations have been validated against a measurement of the neutron background performed with anatC sample, showing an excellent agreement above 1 keV. At lower energies, an additional compo…
Conformational changes in acetylcholine binding protein investigated by temperature accelerated molecular dynamics.
2014
Despite the large number of studies available on nicotinic acetylcholine receptors, a complete account of the mechanistic aspects of their gating transition in response to ligand binding still remains elusive. As a first step toward dissecting the transition mechanism by accelerated sampling techniques, we study the ligand-induced conformational changes of the acetylcholine binding protein (AChBP), a widely accepted model for the full receptor extracellular domain. Using unbiased Molecular Dynamics (MD) and Temperature Accelerated Molecular Dynamics (TAMD) simulations we investigate the AChBP transition between the apo and the agonist-bound state. In long standard MD simulations, both confo…
Time evolution of linearized gauge field fluctuations on a real-time lattice
2016
Classical real-time lattice simulations play an important role in understanding non-equilibrium phenomena in gauge theories and are used in particular to model the prethermal evolution of heavy-ion collisions. Due to instabilities, small quantum fluctuations on top of the classical background may significantly affect the dynamics of the system. In this paper we argue for the need for a numerical calculation of a system of classical gauge fields and small linearized fluctuations in a way that keeps the separation between the two manifest. We derive and test an explicit algorithm to solve these equations on the lattice, maintaining gauge invariance and Gauss's law.
Dosimetry for electron Intra-Operative RadioTherapy: Comparison of output factors obtained through alanine/EPR pellets, ionization chamber and Monte …
2015
Abstract In this work a comparison between the response of alanine and Markus ionization chamber was carried out for measurements of the output factors (OF) of electron beams produced by a linear accelerator used for Intra-Operative Radiation Therapy (IORT). Output factors (OF) for conventional high-energy electron beams are normally measured using ionization chamber according to international dosimetry protocols. However, the electron beams used in IORT have characteristics of dose per pulse, energy spectrum and angular distribution quite different from beams usually used in external radiotherapy, so the direct application of international dosimetry protocols may introduce additional uncer…
A pulsed high-voltage decelerator system to deliver low-energy antiprotons
2021
International audience; The GBAR (Gravitational Behavior of Antihydrogen at Rest) experiment at CERN requires efficient deceleration of 100 keV antiprotons provided by the new ELENA synchrotron ring to synthesize antihydrogen. This is accomplished using electrostatic deceleration optics and a drift tube that is designed to switch from -99 kV to ground when the antiproton bunch is inside – essentially a charged particle “elevator” – producing a 1 keV pulse. We describe the simulation, design, construction and successful testing of the decelerator device at -92 kV on-line with antiprotons from ELENA.
Interaction position resolution simulations and in-beam measurements of the AGATA HPGe detectors
2011
WOS: 000290082600015
Single-Event Burnout Mechanisms in SiC Power MOSFETs
2018
Heavy ion-induced single-event burnout (SEB) is investigated in high-voltage silicon carbide power MOSFETs. Experimental data for 1200-V SiC power MOSFETs show a significant decrease in SEB onset voltage for particle linear energy transfers greater than 10 MeV/cm 2 /mg, above which the SEB threshold voltage is nearly constant at half of the rated maximum operating voltage for these devices. TCAD simulations show a parasitic bipolar junction transistor turn-on mechanism, which drives the avalanching of carriers and leads to runaway drain current, resulting in SEB. peerReviewed
Characterization of a neutron-beta counting system with beta-delayed neutron emitters
2016
Abstract A new detection system for the measurement of beta-delayed neutron emission probabilities has been characterized using fission products with well known β-delayed neutron emission properties. The setup consists of BELEN-20, a 4π neutron counter with twenty 3He proportional tubes arranged inside a large polyethylene neutron moderator, a thin Si detector for β counting and a self-triggering digital data acquisition system. The use of delayed-neutron precursors with different neutron emission windows allowed the study of the effect of energy dependency on neutron, β and β–neutron rates. The observed effect is well reproduced by Monte Carlo simulations. The impact of this dependency on …