Experimental verification of gamma ray atmospheric density sensor mathematical model predictions
Experimental verification of mathematical model performance predictions for gamma ray atmospheric density sensors
ATMOSPHERIC DENSITY↗
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Results for “density model”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Multifidelity validation of digital surrogates using variable-density turbulent mixing models
In this study, ensembles of experimental data are presented and utilized to compare and validate two models used in the simulation of variable-density (Atwood = 0.22), compressible turbulent mixing. Though models of this kind (Reynolds averaged NavierStokes and large-eddy simulations) have been validated extensively with more canonical flows in previous studies, here the present approach offers novelty in the complexity of the geometry, the ensemble-based validation, and the uniformity of the computational framework on which the models are tested. Moreover, all experimental and computational tasks were completed by the authors which has led to a tightly coupled experimental configuration with its “digital twin.” The experimental divergent-shock-tube facility and its data acquisition methods are described and replicated in simulation space. A 2D Euler model which neglects the turbulent mixing at the interface is optimized to experimental data using a Gaussian process. This model then serves as the basis for both the 2D RANS and 3D LES studies that make comparisons to the mixing-layer data from the experiment. A relatively simple RANS model is shown to produce good agreement with experimental data only at late flow development times. The LES ensembles generally show good agreement with experimental data but display sensitivity to the characterization of initial conditions. Resolution-dependent behavior is also observed for certain higher-order statistics of interest. Overall, the LES model successfully captures the effects of divergent geometry, compressibility, and combined nonlinear instabilities inherent to the problem. The successful prediction of mixing width and its growth rate highlight the existence of three distinct regimes in the development of the instability, each with similarities to previously studied instabilities.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Triangular lattice quantum dimer model with variable dimer density
Abstract Quantum dimer models are known to host topological quantum spin liquid phases, and it has recently become possible to simulate such models with Rydberg atoms trapped in arrays of optical tweezers. Here, we present large-scale quantum Monte Carlo simulation results on an extension of the triangular lattice quantum dimer model with terms in the Hamiltonian annihilating and creating single dimers. We find distinct odd and even $${{\mathbb{Z}}}_{2}$$ Z 2 spin liquids, along with several phases with no topological order: a staggered crystal, a nematic phase, and a trivial symmetric phase with no obvious broken symmetry. We also present dynamic spectra of the phases, and note implications for experiments on Rydberg atoms.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Iterative Turbo Decoder Analysis Based on Gaussian Density Evolution
We model the density of extrinsic information in iterative turbo decoders by Gaussian density functions.
Turbo Decoder Analysis Gaussian Density Evolution↗
Analytical Modeling of Variable Density Multilayer Insulation for Cryogenic Storage
A unique foam/Multilayer Insulation (MLI) combination concept for orbital cryogenic storage was experimentally evaluated at NASA Marshall Space Flight Center (MSFC) using the Multipurpose Hydrogen Test Bed (MHTB). The MLI was designed for an on-orbit storage period of 45 days and included several unique features such as: a variable layer density and larger but fewer perforations for venting during ascent to orbit. Test results with liquid hydrogen indicated that the MLI weight or heat leak is reduced by about half in comparison with standard MLI. The focus of this paper is on analytical modeling of the Variable Density MLI (VD-MLI) on-orbit performance (i.e. vacuum/low pressure environment). The foam/VD-MLI combination model is considered to have five segments. The first segment represents the optional foam layer. The second, third, and fourth segments represent three MLI segments with different layer densities. The last segment is considered to be a shroud that surrounds the last MLI layer. Two approaches are considered. In the first approach, the variable density MLI is modeled layer by layer while in the second approach, a semi-empirical model is applied. Both models account for thermal radiation between shields, gas conduction, and solid conduction through the layer separator materials.
Hedayat, A.↗
Enhancing the accuracy of density functional tight binding models through ChIMES many-body interaction potentials
Semi-empirical quantum models such as Density Functional Tight Binding (DFTB) are attractive methods for obtaining quantum simulation data at longer time and length scales than possible with standard approaches. However, application of these models can require lengthy effort due to the lack of a systematic approach for their development. In this work, we discuss the use of the Chebyshev Interaction Model for Efficient Simulation (ChIMES) to create rapidly parameterized DFTB models, which exhibit strong transferability due to the inclusion of many-body interactions that might otherwise be inaccurate. We apply our modeling approach to silicon polymorphs and review previous work on titanium hydride. We also review the creation of a general purpose DFTB/ChIMES model for organic molecules and compounds that approaches hybrid functional and coupled cluster accuracy with two orders of magnitude fewer parameters than similar neural network approaches. In all cases, DFTB/ChIMES yields similar accuracy to the underlying quantum method with orders of magnitude improvement in computational cost. In conclusion, our developments provide a way to create computationally efficient and highly accurate simulations over varying extreme thermodynamic conditions, where physical and chemical properties can be difficult to interrogate directly, and there is historically a significant reliance on theoretical approaches for interpretation and validation of experimental results.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Verification of an energy-conserving semi-implicit electrostatic particle-in-cell scheme for modeling high-density plasma at scale
A verification study of a semi-implicit energy-conserving electrostatic particle-in-cell algorithm is presented. The algorithm relaxes the time-step and mesh-size constraints that require resolution of the plasma period and Debye length associated with traditional explicit momentum-conserving particle-in-cell algorithms. Physical implications and applicability of using the semi-implicit scheme for modeling high-density plasmas are discussed. Where possible, numerical results are compared against analytical solutions. The simulation results indicate that the algorithm is stable at time steps larger than twice the inverse plasma frequency and cell sizes larger than the Debye length. It is found that the algorithm gives adequate results, provided that the distribution function and the spatiotemporal scales dictating the physics of the problem are resolved. As such, the algorithm may provide a robust method for kinetic modeling of high-density plasmas at scale.
Cyclotron resonance↗
Analytic model of dislocation density evolution in fcc polycrystals accounting for dislocation generation, storage, and dynamic recovery mechanisms
Here, an analytic model of the evolution of dislocation density in fcc polycrystals is described. The evolution equations approximately account for most known dislocation storage, dynamic recovery, and dislocation generation mechanisms in fcc polycrystals. Specifically, the model incorporates network (forest) and grain boundary storage, mobile-network and mobile–mobile annihilation, screw–screw annihilation via athermal and thermal single cross-slip, generation by double cross-slip (Koehler mechanism, including dipole formation), Frank-Read sources, grain boundary nucleation, and mobile–immobile dislocation nucleation due to shock loading. Single cross-slip is assumed to proceed through the Friedel–Escaig (FE) mechanism; the corresponding activation energy is calculated using a modified FE model. The activation energy for double cross-slip is calculated for the first time by extending the FE model. The exact evolution equations are integro-differential equations, and as such are difficult to implement in a code; hence, the evolution equations are simplified by making several approximations. Preliminary results on copper are presented, including comparisons to experimental data.
36 MATERIALS SCIENCE↗
A multishock model for the density variance of anisotropic, highly magnetized, supersonic turbulence
ABSTRACT Shocks form the basis of our understanding for the density and velocity statistics of supersonic turbulent flows, such as those found in the cool interstellar medium (ISM). The variance of the density field, $\sigma ^2_{\rho /\rho _0}$, is of particular interest for molecular clouds (MCs), the birthplaces of stars in the Universe. The density variance may be used to infer underlying physical processes in an MC, and parametrizes the star formation (SF) rate of a cloud. However, models for $\sigma ^2_{\rho /\rho _0}$ all share a common feature – the variance is assumed to be isotropic. This assumption does not hold when a trans-/sub-Alfvénic mean magnetic field, ${B}_0$, is present in the cloud, which observations suggest is relevant for some MCs. We develop an anisotropic model for $\sigma _{\rho /\rho _0}^2$, using contributions from hydrodynamical and fast magnetosonic shocks that propagate orthogonal to each other. Our model predicts an upper bound for $\sigma _{\rho /\rho _0}^2$ in the high Mach number $(\mathcal {M})$ limit as small-scale density fluctuations become suppressed by the strong ${B}_0$. The model reduces to the isotropic $\sigma _{\rho /\rho _0}^2\!-\!\mathcal {M}$ relation in the hydrodynamical limit. To validate our model, we calculate $\sigma _{\rho /\rho _0}^2$ from 12 high-resolution, three-dimensional, supersonic, sub-Alfvénic magnetohydrodynamical (MHD) turbulence simulations and find good agreement with our theory. We discuss how the two MHD shocks may be the bimodally oriented overdensities observed in some MCs and the implications for SF theory in the presence of a sub-Alfvénic ${B}_0$. By creating an anisotropic, supersonic density fluctuation model, this study paves the way for SF theory in the highly anisotropic regime of interstellar turbulence.
Beattie, James R.↗
1-D models of induced density enhancements in hot-star winds
We present a 1-D dynamical model of large-scale flow structures induced in a hot-star wind by an initial density perturbation in the inner wind. The resulting wind response is very complex, but includes strong density enhancements that propagate slowly outward through the wind. These density structures exhibit a very slow outward acceleration reminiscent of the discrete absorption components frequently observed in unsaturated UV lines formed in hot-star winds.
Owocki, S. P.↗
Photoionization Models for High Density Gas
Relativistically broadened and redshifted 6.4 – 6.9 keV iron K lines are observed from many accretion powered objects, including X-ray binaries and active galactic nuclei(AGN). Existence of gas close to the central engine implies large radiation intensities and correspondingly large gas densities if the gas is to remain partially ionized. Simple estimates indicate that high gas densities are needed to allow survival of iron against ionization. These are high enough that rates for many atomic processes are affected by mechanisms related to interactions with nearby ions and electrons. Radiation intensities are high enough that stimulated processes can be important. Most models currently in use for interpreting relativistic lines use atomic rate coefficients designed for use at low densities and neglect stimulated processes. In our work so far we have presented atomic structure calculations with the goal of providing physically appropriate models at densities consistent with line-emitting gas near compact objects. In this paper we apply these rates to photoionization calculations, and produce ionization balance curves and X-ray emissivities and opacities which are appropriate for high densities and high radiation intensities. The final step in our program will be presented in a subsequent paper: Model atmosphere calculations which incorporate these rates into synthetic spectra.
T Kallman↗
A Novel Analytical Population Tumor Control Probability Model Includes Cell Density and Volume Variations: Application to Canine Brain Tumor
Tumor control probability (TCP) models based on Poisson statistics characterize the distribution of surviving clonogens. Thus enabling the calculation of TCP for individuals. To mathematically describe clinically observed survival data of patient cohorts it is necessary to extend the Poisson TCP model. This is typically done by either incorporating variations of model parameters or by using an empirical logistic model. The purpose of this work is the development of an analytical population TCP model by mechanistic extension of the Possion model.
62 RADIOLOGY AND NUCLEAR MEDICINE↗
Density-Functional-Theory Modeling of Cation Diffusion in Bulk La 1 - x Sr x MnO 3 ± δ ( x = 0.0 – 0.25 ) for Solid-Oxide Fuel-Cell Cathodes
In this work, the A - and B -site cation migration pathways involving defect complexes in bulk La 1-x Sr x MnO 3±δ (LSM) at x = 0.0-0.25 are investigated based on density-functional-theory modeling for solid-oxide fuel-cell (SOFC) cathode applications. We propose a dominant A -site cation migration mechanism which involves an A -site cation (e.g., La$x\atop{A}$) V A "' of a V A "' -V B "' cluster, where La$x\atop{A}$, V A "' and V B "' are La 3+ , A-site vacancy, and B-site vacancy in bulk LSM, respectively, and V A "' -V B "' is the first nearest-neighbor V A "' and V B "' pair. This hop exhibits an approximately 1.6-eV migration barrier as compared to approximately 2.9 eV of the La$x\atop{A}$ hop into a V A "'. This decrease in the cation migration barrier is attributed to the presence of the V B "' relieving the electrostatic repulsion and steric constraints to the migrating A-site cations in the transition-state image configurations.
03 NATURAL GAS↗
A Coupled Plasma-Sheath Model for High Density Sources
High density, low pressure plasmas are used for etching and deposition in microelectronics fabrication processes. The process characteristics are strongly determined by the ion energy distribution (IED) and the ion flux arriving at the substrate that are responsible for desorption of etch products and neutral dissociation at the surface. The ion flux and energy are determined by a self- consistent modeling of the bulk plasma, where the ions and the neutral radicals are produced, and the sheath, where the ions are accelerated. Due to their widely different time scales, it is a formidable task to self-consistently resolve non-collisional sheath in a high density bulk plasma model. In this work, we first describe a coupled plasma-sheath model that attempts to resolve the non-collisional sheath in a reactor scale model. Second, we propose a semianalytical radio frequency (RF) sheath model to improve ion dynamics.
Bose, Deepak↗
Eulerian finite element implementations of a dislocation density-based continuum model
In Eulerian finite element simulations, the mesh moves relative to the material. After every change of position between the mesh and the material, the state variables are interpolated to the new mesh position, which is referred to as advection. Large strain crystal plasticity models are based on the multiplicative decomposition of the total deformation gradient. Further, the stress is evaluated as a function of the thermoelastic strain, temperature, and other state variables. Advection of tensor quantities, such as the strain, is coupled with possibly significant advection errors. In an effort to reduce the advection errors, we develop two rate forms of an established dislocation density-based continuum model. To that end, we replace the multiplicative decomposition of the deformation gradient with the additive decomposition of the velocity gradient, and define the stress rate instead of the total stress. The Eulerian implementation is compared with Lagrangian calculations, and two numerical examples with severe deformation levels are presented.
36 MATERIALS SCIENCE↗
Eulerian finite element simulations of the drop weight impact test with a dislocation Density-based continuum model
During a drop weight impact test, the kinetic energy of the falling weight is transferred into the sample resting on the anvil. The plastic deformation in the sample is an important mechanism for the dissipation of the input kinetic energy. We use Eulerian finite element analysis to simulate the deformation and temperature evolution in a 1,3,5-trinitro-1,3,5-triazine (RDX) sample consisting of multiple crystals. In Eulerian finite element simulations, the mesh moves relative to the material. After every change of position between the mesh and the material, the state variables are interpolated to the new mesh position, i.e., advection. In an effort to reduce the advection errors, we use a rate form of a dislocation density-based continuum model by Luscher et al. Here, the simulations predict localization of plastic deformation, and plastic dissipation as a significant source of heat generation.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Extracting model-independent nuclear level densities away from stability
The nuclear level density (NLD) is a fundamental measure of the complex structure of atomic nuclei at relatively high energies. Here, in this study, we present the first model-independent measurement of the absolute partial NLD for a short-lived nucleus. For this purpose we adapt the recently introduced “shape method” for β-decay experiments, providing the shape of the γ-ray strength function for exotic nuclei. In this work, we show that combining the shape method with the β-Oslo technique allows for the extraction of the NLD of the populated states without the need for theoretical input. This development opens the way for the extraction of experimental NLDs far from stability with major implications in astrophysical and other applications. We benchmark our approach using data for the stable 76 Ge nucleus, finding excellent agreement with previous experimental results. In addition, we present new experimental data and determine the absolute partial level density for the short-lived 88 Kr nucleus. Our results suggest a fivefold increase in the NLD for the case of 88 Kr, compared to the recommended values from semimicroscopic Hartree-Fock Bogoliubov calculations recommended by the RIPL3 nuclear data library. However, our results are in good agreement with other semimicroscopic level density models. We demonstrate the impact of our method on the 87 Kr(n, γ) neutron capture rate and show that our experimental uncertainties for NLDs fulfill the requirements needed for astrophysical calculations predicting r-process abundances.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
De novo atomic protein structure modeling for cryoEM density maps using 3D transformer and HMM
Accurately building 3D atomic structures from cryo-EM density maps is a crucial step in cryo-EM-based protein structure determination. Converting density maps into 3D atomic structures for proteins lacking accurate homologous or predicted structures as templates remains a significant challenge. Here, we introduce Cryo2Struct, a fully automated de novo cryo-EM structure modeling method. Cryo2Struct utilizes a 3D transformer to identify atoms and amino acid types in cryo-EM density maps, followed by an innovative Hidden Markov Model (HMM) to connect predicted atoms and build protein backbone structures. Cryo2Struct produces substantially more accurate and complete protein structural models than the widely used ab initio method Phenix. Additionally, its performance in building atomic structural models is robust against changes in the resolution of density maps and the size of protein structures.
59 BASIC BIOLOGICAL SCIENCES↗