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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

The FLUKA code: Overview and new developments

The FLUKA Monte Carlo Radiation Transport and Interaction code package is widely used to simulate the interaction of particles with matter in a variety of fields, including high energy physics, space radiation, medical applications, radiation protection and shielding assessments, accelerator studies, astrophysical studies and well logging. This paper gives a brief overview of the FLUKA program and describes recent developments, in particular, improvements in the modelling of particle interactions and transport are described in detail. In addition, an overview of selected applications is given.

Ballarini, Francesca↗
DOE OSTI2017

Reaction rates for reaction-diffusion kinetics on unstructured meshes

The reaction-diffusion master equation is a stochastic model often utilized in the study of biochemical reaction networks in living cells. It is applied when the spatial distribution of molecules is important to the dynamics of the system. A viable approach to resolve the complex geometry of cells accurately is to discretize space with an unstructured mesh. Diffusion is modeled as discrete jumps between nodes on the mesh, and the diffusion jump rates can be obtained through a discretization of the diffusion equation on the mesh. Reactions can occur when molecules occupy the same voxel. Here in this paper, we develop a method for computing accurate reaction rates between molecules occupying the same voxel in an unstructured mesh. For large voxels, these rates are known to be well approximated by the reaction rates derived by Collins and Kimball, but as the mesh is refined, no analytical expression for the rates exists. We reduce the problem of computing accurate reaction rates to a pure preprocessing step, depending only on the mesh and not on the model parameters, and we devise an efficient numerical scheme to estimate them to high accuracy. We show in several numerical examples that as we refine the mesh, the results obtained with the reaction-diffusion master equation approach those of a more fine-grained Smoluchowski particle-tracking model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Three-dimensional patchy lattice model: Ring formation and phase separation

We investigate the structural and thermodynamic properties of a model of particles with 2 patches of type A and 10 patches of type B. Particles are placed on the sites of a face centered cubic lattice with the patches oriented along the nearest neighbor directions. The competition between the self-assembly of chains, rings, and networks on the phase diagram is investigated by carrying out a systematic investigation of this class of models, using an extension of Wertheim's theory for associating fluids and Monte Carlo numerical simulations. We varied the ratio r ≡ ε{sub AB}/ε{sub AA} of the interaction between patches A and B, ε{sub AB}, and between A patches, ε{sub AA} (ε{sub BB} is set to 0) as well as the relative position of the A patches, i.e., the angle θ between the (lattice) directions of the A patches. We found that both r and θ (60°, 90°, or 120°) have a profound effect on the phase diagram. In the empty fluid regime (r < 1/2) the phase diagram is reentrant with a closed miscibility loop. The region around the lower critical point exhibits unusual structural and thermodynamic behavior determined by the presence of relatively short rings. The agreement between the results of theory and simulation is excellent for θ = 120° but deteriorates as θ decreases, revealing the need for new theoretical approaches to describe the structure and thermodynamics of systems dominated by small rings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

The mechanical response of micron-sized molecular crystals

Abstract Microstructures and corresponding properties of compacted powders ultimately depend on the mechanical response of individual particles. In principle, computational simulations can predict the results of powder compaction processes, but the selection of appropriate models for both particle–particle interactions and particle deformations across all relevant length scales remain nontrivial tasks, especially in material systems lacking detailed mechanical property information. The work presented here addresses these issues by conducting uniaxial compressions in situ inside of a scanning electron microscope to characterize the mechanical response of individual micron-sized particles of a molecular crystal, hexanitrohexaazaisowurtzitane (CL-20). This experimental approach enabled the collection of quantitative force and displacement data alongside simultaneous imaging to capture morphology changes. The results reveal information about elastic deformation, yield, plastic deformation, creep, and fracture phenomena. Accordingly, this work demonstrates a generalizable approach for assessing the mechanical response of individual micron-sized molecular crystal particles and utilizing those responses in particle-level models. Graphic abstract

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Comparison of the NAIRAS Trajectory Dose Model With ISS Measurements: Effects of Trapped Particles and Solar Energetic Particle Events.

The NAIRAS(Nowcast of Aerospace Ionizing RAdiation system) model was initially developed for fast computation of GCR and SEP events in the Earth's atmosphere. It was recently improved for computing the effects of trapped particles and its domain of validity was extended to the near space environments, which notably includes the international space station (ISS). To validate the new capabilities of the model, we compared its outputs with some measurements made in the ISS. Historical data contained several SEP events while newer measurements made with the ARMAS instrument flying in the experience bay of KIBO show the influence of trapped particles and GCR over the total dose received.

Guillaume Gronoff↗
DOE OSTI2012

Asymmetric Dark Matter and Dark Radiation

Asymmetric Dark Matter (ADM) models invoke a particle-antiparticle asymmetry, similar to the one observed in the Baryon sector, to account for the Dark Matter (DM) abundance. Both asymmetries are usually generated by the same mechanism and generally related, thus predicting DM masses around 5 GeV in order to obtain the correct density. The main challenge for successful models is to ensure efficient annihilation of the thermally produced symmetric component of such a light DM candidate without violating constraints from collider or direct searches. A common way to overcome this involves a light mediator, into which DM can efficiently annihilate and which subsequently decays into Standard Model particles. Here we explore the scenario where the light mediator decays instead into lighter degrees of freedom in the dark sector that act as radiation in the early Universe. While this assumption makes indirect DM searches challenging, it leads to signals of extra radiation at BBN and CMB. Under certain conditions, precise measurements of the number of relativistic species, such as those expected from the Planck satellite, can provide information on the structure of the dark sector. We also discuss the constraints of the interactions between DM and Dark Radiation from their imprint in the matter power spectrum.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

A Monte Carlo Approach to Approximating the Effects of Pore Geometry on the Phase Behavior of Soil Freezing

Abstract Freezing in porous media is associated with a host of dynamic phenomena that stem from the presence and mobility of premelted liquid at subzero temperatures. Accurate assessments of the progressive liquid‐ice phase transition is required for predictive models of frost damage, glacier‐till coupling, and many other cold regions processes, as well as for evaluating the capacity for water storage in near‐surface extraterrestrial environments. We use a Monte Carlo approach to sample the pore space in a synthetic 3D packing of poly‐dispersed spherical particles and evaluate local geometrical constraints that allow us to assess changes in the relative proportions of pore fluid and ice. By approximating the phase boundary geometry in fine‐grained pores while considering both the curvature of the liquid‐ice interface and wetting interactions with matrix particles, our model predicts changes in phase equilibrium in granular media over a broad temperature range, where present accounting for the colligative effects of chloride and perchlorate solutes. In addition to formulating the constitutive behavior needed to better understand properties and processes in frozen soils, our results also provide insight into other aspects of phase equilibria in porous media, including the formation of methane hydrates in permafrost and marine sediments, and the partitioning between liquid water and vapor in the vadose zone.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

A discrete element method-based approach to predict the breakage of coal

Pulverization is an essential pre-combustion technique employed for solid fuels, such as coal, to reduce particle sizes. Smaller particles ensure rapid and complete combustion, leading to low carbon emissions. Traditionally, the resulting particle size distributions from pulverizers have been informed by empirical or semi-empirical approaches that rely on extensive data gathered over several decades during operations or experiments. However, the predictive capabilities for new coals and processes are limited. This work presents a Discrete Element Method based computational framework to predict particle size distribution resulting from the breakage of coal particles characterized by the coal’s physical properties. The effect of certain operating parameters on the breakage behavior of coal particles also is examined.

Brazilian Test.↗
DOE OSTI2017

Dynamics of Nanoparticles in Entangled Polymer Solutions

The mean square displacement < r 2 > of nanoparticle probes dispersed in simple isotropic liquids and in polymer solutions is interrogated using fluorescence correlation spectroscopy and single-particle tracking (SPT) experiments. Probe dynamics in different regimes of particle diameter (d), relative to characteristic polymer length scales, including the correlation length (ξ), the entanglement mesh size (a), and the radius of gyration (R g ), are investigated. In simple fluids and for polymer solutions in which d >> R g , long-time particle dynamics obey random-walk statistics < r 2 >:t, with the bulk zero-shear viscosity of the polymer solution determining the frictional resistance to particle motion. In contrast, in polymer solutions with d < R g , polymer molecules in solution exert noncontinuum resistances to particle motion and nanoparticle probes appear to interact hydrodynamically only with a local fluid medium with effective drag comparable to that of a solution of polymer chain segments with sizes similar to those of the nanoparticle probes. Under these conditions, the nanoparticles exhibit orders of magnitude faster dynamics than those expected from continuum predictions based on the Stokes–Einstein relation. SPT measurements further show that when d > a, nanoparticle dynamics transition from diffusive to subdiffusive on long timescales, reminiscent of particle transport in a field with obstructions. This last finding is in stark contrast to the nanoparticle dynamics observed in entangled polymer melts, where X-ray photon correlation spectroscopy measurements reveal faster but hyperdiffusive dynamics. As a result, we analyze these results with the help of the hopping model for particle dynamics in polymers proposed by Cai et al. and, on that basis, discuss the physical origins of the local drag experienced by the nanoparticles in entangled polymer solutions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1986

Cometary atmospheres: Modeling the spatial distribution of observed neutral radicals

New data for the spatial distribution of cometary C2 are presented. A recompilation of the Haser scale lengths for C2 and CN resolves the previously held anomalous drop of the C2/CN ratio for heliocentric distances larger than 1 AU. Clues to the source of cometary C2 have been found through fitting the sunward-antisunward brightness profiles with the Monte Carlo particle-trajectory model. A source (parent) lifetime of 3.1 x 10,000 seconds is found, and an ejection speed for C2 radicals upon dissociation of the parent(s) of approx. 0.5 km 1/5 is calculated.

Combi, M. R.↗
DOE OSTI2026

Particle trajectory representation learning with masked point modeling

Liquid argon time projection chambers (LArTPCs) offer millimeter-scale 3D images of particle trajectories, enabling precision studies of neutrino oscillation, detection of supernova and solar neutrinos, searches for exotic dark matter, and proton decay. Current approaches utilize supervised machine learning models, requiring extensive simulations of particle physics and detector response that can introduce bias. Self-supervised learning (SSL), a machine learning approach that learns useful representations of unlabeled data from the data itself, has significantly advanced how large datasets are utilized for representation learning; however, its potential for applications to sensory data in high precision particle physics experiments remains largely unexplored. We introduce the Point-based liquid argon masked autoencoder (PoLAr-MAE), a self-supervised framework that learns physically meaningful representations directly from unlabeled LArTPC images. PoLAr-MAE achieves remarkable data efficiency for a point-level segmentation task, outperforming fully supervised methods in low data regimes. Linear classifiers on model outputs demonstrate robust performance across multiple downstream tasks. Our results position sensor-level SSL as a practical foundation model strategy for LArTPCs.

Young, Samuel [Stanford Univ., CA (United States)]↗
DOE OSTI2024

Self-potential tomography preconditioned by particle swarm optimization—Self-potential monitoring and streamflow data acquired March 26–September 14, 2023 at East Fork Poplar Creek near Oak Ridge Tennessee

This data release contains self-potential (SP) monitoring data measured on the flood plain of East Fork Poplar Creek (East Fork) in Oak Ridge, Tennessee and streamflow data measured at streamgage EFK5.4 about 310 meters upstream from the SP monitoring site. Additionally, forward and inverse numerical modeling scripts used to model the electrical-potential field on the East Fork flood plain are provided. SP monitoring data included in this data release were measured at 39 different data-collection points on the east flood plain; 30 points were spaced 3-m apart along an 87-m profile parallel to the edge of the streambank, and 9 points were spaced 5-m apart along a 40-m profile approximately perpendicular to the streambank. The two profiles of SP data-collection points intersected at the approximate midpoint of the profile parallel to the streambank. Transient voltages were measured at each data-collection point every 60 seconds between 16:13 Eastern Standard Time (EST) on March 26, 2023, and 11:41 EST on September 14, 2023. Streamflow data included in this data release overlap the time-period of self-potential monitoring and were measured every 900 seconds between 16:23 on March 26, 2023, and 23:53 on September 14, 2023.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Gravitational waves from global cosmic strings and cosmic archaeology

Global cosmic strings are predicted in many motivated extensions to the Standard Model of particle physics, with close connections to axion dark matter physics. Recent studies suggest that, although subdominant relative to Goldstone emission, gravitational wave (GW) signals from global strings can be detectable with current and planned GW detectors such as LIGO, LISA, DECIGO/BBO, ET/CE and AEDGE/AION, as well as pulsar timing arrays such as PPTA, NANOGrav and SKA. This work is an extensive, updated study on GWs from a global cosmic string network, taking into account of the most recent developments related to the subject. The main analysis is based on the analytical Velocity-dependent One-Scale (VOS) model calibrated with recent simulation results, which provides a generic protocol for such calculations with details given. We also demonstrate how the GW signal can be influenced with variations to the baseline model: this includes considering the uncertainties of model parameters and the potential deviation from the conventional VOS model prediction (i.e. the scaling behavior) as suggested by some of the recent simulation results. Furthermore, we investigated in detail the effect of a non-standard cosmology (e.g. early matter domination or kination) or new particle species on the GW signals from global strings. We demonstrate that the frequency spectrum of GW background from global cosmic strings can be used to probe the cosmic history prior to the Big Bang nucleosynthesis (BBN) (i.e. the primordial dark age) up to a temperature of T ~ 10 8 GeV.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

The Roles of Fluid Compression and Shear in Electron Energization during Magnetic Reconnection

Particle acceleration in space and astrophysical reconnection sites is an important unsolved problem in studies of magnetic reconnection. Earlier kinetic simulations have identified several acceleration mechanisms that are associated with particle drift motions. Here, we show that, for sufficiently large systems, the energization processes due to particle drift motions can be described as fluid compression and shear, and that the shear energization is proportional to the pressure anisotropy of energetic particles. By analyzing results from fully kinetic simulations, we show that the compression energization dominates the acceleration of high-energy particles in reconnection with a weak guide field, and the compression and shear effects are comparable when the guide field is 50% of the reconnecting component. Spatial distributions of those energization effects reveal that reconnection exhausts, contracting islands, and island-merging regions are the three most important regions for compression and shear acceleration. This study connects particle energization by particle guiding-center drift motions with that due to background fluid motions, as in the energetic particle transport theory. It provides foundations for building particle transport models for large-scale reconnection acceleration such as those in solar flares.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Electromagnetic design, engineering development and magnetic qualification of a horizontal layered scaled magnet for physics experiments

Neutrino detectors around the world have shown evidence that these weakly interacting, little-understood particles are not really mass less, as was thought so far. Not only do they have non-zero masses, different species (or flavors) of neutrinos seem to mix and oscillate into one another as they traverse through the cosmos. If this is true, this is not only one of the first pieces of evidence for physics beyond the so-called Standard Model of Particle Physics, but would also have great impact on diverse fields such as nuclear and particle physics, astrophysics and cosmology. It is thus imperative to study the details of the interactions of these particles. These will be detected by means of an iron calorimeter (ICAL), comprising detectors sandwiched in alternate layers of soft magnetic iron. The iron core is magnetized to allow bending of the charged particles. The direction and the energy of the original incoming neutrino, that caused the interaction, can then be accurately determined. Racetrack coils through slots cut in the iron core create a uniform magnetic field in the iron core. A highly uniform magnetic field in the soft iron core is required to accurately determine the mass and energy of incident particle. The charged particles bend in this magnetic field; oppositely charged particles bending in opposite directions. The charge, energy and momentum of the emitted particle is thus determined. An electromagnet was designed as a laboratory facility for conducting experimental studies in particle physics. This paper discusses the electromagnetic design, development, fabrication, magnetic qualification and magnetic measurement issues of an electromagnet developed for physics studies. (author)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1978

The Third General Scientific Assembly of the International Association of Geomagnetism and Aeronomy - Special sessions of auroral processes

Methods of timing magnetic substorms, the rapid fluctuations of aurorae, electromagnetic and electrostatic instabilities observed on the field lines of aurorae, the auroral microstructure, and the relationship of currents, electric field and particle precipitation to auroral form are discussed. Attention is given to such topics as D-perturbations as an indicator of substorm onset, the role of the magnetotail in substorms, spectral information derived from imaging data on aurorae, terrestrial kilometric radiation, and the importance of the mirror force in self-consistent models of particle fluxes, currents and potentials on auroral field lines.

Russell, C. T.↗
DOE OSTI2018

A per-cent-level determination of the nucleon axial coupling from quantum chromodynamics

The axial coupling of the nucleon, g A , is the strength of its coupling to the weak axial current of the standard model of particle physics, in much the same way as the electric charge is the strength of the coupling to the electromagnetic current. This axial coupling dictates the rate at which neutrons decay to protons, the strength of the attractive long-range force between nucleons and other features of nuclear physics. Precision tests of the standard model in nuclear environments require a quantitative understanding of nuclear physics that is rooted in quantum chromodynamics, a pillar of the standard model. The importance of g A makes it a benchmark quantity to determine theoretically—a difficult task because quantum chromodynamics is non-perturbative, precluding known analytical methods. Lattice quantum chromodynamics provides a rigorous, non-perturbative definition of quantum chromodynamics that can be implemented numerically. It has been estimated that a precision of two per cent would be possible by 2020 if two challenges are overcome: contamination of g A from excited states must be controlled in the calculations and statistical precision must be improved markedly. Here we use an unconventional method inspired by the Feynman–Hellmann theorem that overcomes these challenges. Furthermore, we calculate a g A value of 1.271 ± 0.013, which has a precision of about one per cent.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗