Using the Pagosa SURF Model to Simulate Fragment Impact on Energetic Materials for Safety Applications
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Ma, Xia↗
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Exploring the impact of ions on oxygen K-edge X-ray absorption spectroscopy in NaCl solution using the GW-Bethe-Salpeter-equation approach
X-ray absorption spectroscopy (XAS) is a powerful experimental tool to probe the local structure in materials with the core hole excitations. Here, the oxygen K-edge XAS spectra of the NaCl solution and pure water are computed by using a recently developed GW-Bethe-Salpeter equation approach, based on configurations modeled by path-integral molecular dynamics with the deep-learning technique. The neural network is trained on ab initio data obtained with strongly constrained and appropriately normed density functional theory. The observed changes in the XAS features of the NaCl solution, compared to those of pure water, are in good agreement between experimental and theoretical results. We provided detailed explanations for these spectral changes that occur when NaCl is solvated in pure water. Specifically, the presence of solvating ion pairs leads to localization of electron-hole excitons. As a result, our theoretical XAS results support the theory that the effects of the solvating ions on the H-bond network are mainly confined within the first hydration shell of ions, however beyond the shell the arrangement of water molecules remains to be comparable to that observed in pure water.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
THE IMPACT OF BARYON PHYSICS ON THE STRUCTURE OF HIGH-REDSHIFT GALAXIES
We study the detailed structure of galaxies at redshifts z {>=} 2 using cosmological simulations with improved modeling of the interstellar medium and star formation. The simulations follow the formation and dissociation of molecular hydrogen and include star formation only in cold molecular gas. The molecular gas is more concentrated toward the center of galaxies than the atomic gas, and as a consequence, the resulting stellar distribution is very compact. For halos with total mass above 10{sup 11} M{sub Sun }, the median half-mass radius of the stellar disks is 0.8 kpc at z Almost-Equal-To 3. The vertical structure of the molecular disk is much thinner than that of the atomic neutral gas. Relative to the non-radiative run, the inner regions of the dark matter halo change shape from prolate to mildly oblate and align with the stellar disk. However, we do not find evidence for a significant fast-rotating 'dark disk' of dark matter around the stellar disk. The outer halo regions retain the orientation acquired during accretion and mergers and are significantly misaligned with the inner regions. The radial profile of the dark matter halo contracts in response to baryon dissipation, establishing an approximately isothermal profile throughout most of the halo. This effect can be accurately described by a modified model of halo contraction. The angular momentum of a fixed amount of inner dark matter is approximately conserved over time, while in the dissipationless case most of it is transferred outward during mergers. The conservation of the dark matter angular momentum provides supporting evidence for the validity of the halo contraction model in a hierarchical galaxy formation process.
79 ASTRONOMY AND ASTROPHYSICS↗
TESTING MODELS OF INTRINSIC BRIGHTNESS VARIATIONS IN TYPE Ia SUPERNOVAE AND THEIR IMPACT ON MEASURING COSMOLOGICAL PARAMETERS
For spectroscopically confirmed Type Ia supernovae we evaluate models of intrinsic brightness variations with detailed data/Monte Carlo comparisons of the dispersion in the following quantities: Hubble-diagram scatter, color difference (B - V - c) between the true B - V color and the fitted color (c) from the SALT-II light curve model, and photometric redshift residual. The data sample includes 251 ugriz light curves from the three-season Sloan Digital Sky Survey-II and 191 griz light curves from the Supernova Legacy Survey 3 year data release. We find that the simplest model of a wavelength-independent (coherent) scatter is not adequate, and that to describe the data the intrinsic-scatter model must have wavelength-dependent variations resulting in a {approx}0.02 mag scatter in B - V - c. Relatively weak constraints are obtained on the nature of intrinsic scatter because a variety of different models can reasonably describe this photometric data sample. We use Monte Carlo simulations to examine the standard approach of adding a coherent-scatter term in quadrature to the distance-modulus uncertainty in order to bring the reduced {chi}{sup 2} to unity when fitting a Hubble diagram. If the light curve fits include model uncertainties with the correct wavelength dependence of the scatter, we find that this approach is valid and that the bias on the dark energy equation-of-state parameter w is much smaller ({approx}0.001) than current systematic uncertainties. However, incorrect model uncertainties can lead to a significant bias on the distance moduli, with up to {approx}0.05 mag redshift-dependent variation. This bias is roughly reduced in half after applying a Malmquist bias correction. For the recent SNLS3 cosmology results, we estimate that this effect introduces an additional systematic uncertainty on w of {approx}0.02, well below the total uncertainty. This uncertainty depends on the choice of viable scatter models and the choice of supernova (SN) samples, and thus this small w-uncertainty is not guaranteed in future cosmology results. For example, the w-uncertainty for SDSS+SNLS (dropping the nearby SNe) increases to {approx}0.04.
79 ASTRONOMY AND ASTROPHYSICS↗
THE IMPACT OF METALLICITY ON THE RATE OF TYPE Ia SUPERNOVAE
The metallicity of a star strongly affects both its evolution and the properties of the stellar remnant that results from its demise. It is generally accepted that stars with initial masses below {approx}8 M{sub Sun} leave behind white dwarfs and that some sub-population of these lead to Type Ia supernovae (SNe Ia). However, it is often tacitly assumed that metallicity has no effect on the rate of SNe Ia. We propose that a consequence of the effects of metallicity is to significantly increase the SN Ia rate in lower-metallicity galaxies, in contrast to previous expectations. This is because lower-metallicity stars leave behind higher-mass white dwarfs, which should be easier to bring to explosion. We first model SN Ia rates in relation to galaxy masses and ages alone, finding that the elevation in the rate of SNe Ia in lower-mass galaxies measured by Lick Observatory SN Search is readily explained. However, we then see that models incorporating this effect of metallicity agree just as well. Using the same parameters to estimate the cosmic SN Ia rate, we again find good agreement with data up to z Almost-Equal-To 2. We suggest that this degeneracy warrants more detailed examination of host galaxy metallicities. We discuss additional implications, including for hosts of high-z SNe Ia, the SN Ia delay time distribution, super-Chandrasekhar SNe, and cosmology.
79 ASTRONOMY AND ASTROPHYSICS↗
The impact of updated Zr neutron-capture cross sections and new asymptotic giant branch models on our understanding of the S process and the origin of stardust
We present model predictions for the Zr isotopic ratios produced by slow neutron captures in C-rich asymptotic giant branch (AGB) stars of masses 1.25-4 M {sub ☉} and metallicities Z = 0.01-0.03, and compare them to data from single meteoritic stardust silicon carbide (SiC) and high-density graphite grains that condensed in the outflows of these stars. We compare predictions produced using the Zr neutron-capture cross sections from Bao et al. and from n{sub T}OF experiments at CERN, and present a new evaluation for the neutron-capture cross section of the unstable isotope {sup 95}Zr, the branching point leading to the production of {sup 96}Zr. The new cross sections generally present an improved match with the observational data, except for the {sup 92}Zr/{sup 94}Zr ratios, which are on average still substantially higher than predicted. The {sup 96}Zr/{sup 94}Zr ratios can be explained using our range of initial stellar masses, with the most {sup 96}Zr-depleted grains originating from AGB stars of masses 1.8-3 M {sub ☉} and the others from either lower or higher masses. The {sup 90,} {sup 91}Zr/{sup 94}Zr variations measured in the grains are well reproduced by the range of stellar metallicities considered here, which is the same needed to cover the Si composition of the grains produced by the chemical evolution of the Galaxy. The {sup 92}Zr/{sup 94}Zr versus {sup 29}Si/{sup 28}Si positive correlation observed in the available data suggests that stellar metallicity rather than rotation plays the major role in covering the {sup 90,} {sup 91,} {sup 92}Zr/{sup 94}Zr spread.
79 ASTRONOMY AND ASTROPHYSICS↗
Impact of plasma response on plasma displacements in DIII-D during application of external 3D perturbations
The effects of applied non-axisymmetric resonant magnetic perturbations (RMPs) are predicted without and with self-consistent plasma response by modeling of the magnetic field structure and two-fluid MHD simulations, respectively. A synthetic diagnostic is used to simulate soft X-ray (SXR) emission within the steep gradient region of the pedestal, 0.98 > ψ > 0.94. The entire pedestal and edge region is characterized by large changes in plasma rotation and current density. Those parameters are expected to strongly affect the plasma response to RMPs. The M3D-C1 code takes into account this response self-consistently. The plasma response is investigated in detail and used in the forward modeling of the simulated local SXR emission, within the framework of the synthetic diagnostic. The resulting synthetic emission is compared to measured SXR data. The latter clearly shows helical m = 11 ± 1 displacements around the 11/3 rational surface of sizes up to 5 cm, which change with the poloidal angle. The synthetic emission with plasma response is used to explain the nature of the measured displacements. Different approaches are tested. One approach is based on the magnetic field structure to simulate local emission, which shows additional structures at the separatrix, that are caused by the lobes. Especially without plasma response, almost only separatrix structures are generated while no significant displacements are found further inside. Another approach to model local emission uses the fluid quantities electron density and temperature, as calculated by M3D-C1. Compared to the previous approach, based on the magnetic field structure, the emission simulated by the fluid approach with plasma response shows better agreement with the measured SXR data. To be specific, it has comparable displacements in the steep gradient region and no lobe structures at all. The helical displacements around the 11/3 surface are identified to be directly related to the kink response, caused by non-resonant amplification of various poloidal RMP modes due to plasma response. Regarding the latter, the role of different plasma parameters is investigated, but it appears that the electron rotation plays a key role in the formation of screening and resonant amplification, while the kinking appears to be sensitive to the edge current density. As a result, it is also hypothesised that the strength of the kink response is also correlated to edge-localized-mode (ELM) stability.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Impact of ideal MHD stability limits on high-beta hybrid operation
Here, the hybrid scenario is a candidate for stationary high-fusion gain tokamak operation in ITER and DEMO. To obtain such performance, the energy confinement and the normalized pressure ${{\beta}_{N}}$ must be maximized, which requires operating near or above ideal MHD no-wall limits. New experimental findings show how these limits can affect hybrid operation. Even if hybrids are mainly limited by tearing modes, proximity to the no-wall limit leads to 3D field amplification that affects plasma profiles, e.g. rotation braking is observed in ASDEX Upgrade throughout the plasma and peaks in the core. As a result, even the small ASDEX Upgrade error fields are amplified and their effects become visible. To quantify such effects, ASDEX Upgrade measured the response to 3D fields applied by $8\times 2$ non-axisymmetric coils as ${{\beta}_{N}}$ approaches the no-wall limit. The full n = 1 response profile and poloidal structure were measured by a suite of diagnostics and compared with linear MHD simulations, revealing a characteristic feature of hybrids: the n = 1 response is due to a global, marginally-stable n = 1 kink characterized by a large m = 1, n = 1 core harmonic due to q min being just above 1. A helical core distortion of a few cm forms and affects various core quantities, including plasma rotation, electron and ion temperature, and intrinsic W density. In similar experiments, DIII-D also measured the effect of this helical core on the internal current profile, providing information useful to understanding of the physics of magnetic flux pumping, i.e. anomalous current redistribution by MHD modes that keeps ${{q}_{\text{min}}}>1$ . Thanks to flux pumping, a broad current profile is maintained in DIII-D even with large on-axis current drive, enabling fully non-inductive operation at high ${{\beta}_{N}}$ up to 3.5–4.
3D equilibrium↗
The interaction of an atmospheric pressure plasma jet with liquid water: dimple dynamics and its impact on crystal violet decomposition
Not Available
Kondeti, V. S. Santosh K. (ORCID:000000018825845X)↗
Impact of semi-annihilation of ℤ{sub 3} symmetric dark matter with radiative neutrino masses
We investigate a ℤ{sub 3} symmetric model with two-loop radiative neutrino masses. Dark matter in the model is either a Dirac fermion or a complex scalar as a result of an unbroken ℤ{sub 3} symmetry. In addition to standard annihilation processes, semi-annihilation of the dark matter contributes to the relic density. We study the effect of the semi-annihilation in the model and find that those contributions are important to obtain the observed relic density. The experimental signatures in dark matter searches are also discussed, where some of them are expected to be different from the signatures of dark matter in ℤ{sub 2} symmetric models.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Impacts of supersymmetric higher derivative terms on inflation models in supergravity
We show the effects of supersymmetric higher derivative terms on inflation models in supergravity. The results show that such terms generically modify the effective kinetic coefficient of the inflaton during inflation if the cut off scale of the higher derivative operators is sufficiently small. In such a case, the η-problem in supergravity does not occur, and we find that the effective potential of the inflaton generically becomes a power type potential with a power smaller than two.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Tau flavored dark matter and its impact on tau Yukawa coupling
In this paper we perform a systematic study of the tau flavored dark matter (DM) model by introducing two kinds of mediators (a scalar doublet and a charged scalar singlet). The electromagnetic properties of the DM, as well as their implications in DM direct detections, are analyzed in detail. The model turns out contributing a significant radiative correction to the tau lepton mass, in addition to loosing the tension between the measured DM relic density and constraints of DM direct detections. The loop corrections can be O(10%) of the total tau mass. Signal rates of the Higgs measurements from the LHC in the h →τ τ and h → γ γ channels, relative to the Standard Model expectations, can be explained in this model.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Error field impact on mode locking and divertor heat flux in NSTX-U
During the 2016 NSTX-U experimental campaign, locked modes in the plasma edge presented clear evidence of the presence of error fields. Extensive metrology and plasma response modeling with IPEC and M3D-C1 have been conducted to understand the various sources of error fields in NSTX-U as built in 2016, and to determine which of these sources have the greatest effect on the plasma. In particular, modeling finds that the error field from misalignment of the toroidal field (TF) coils may have a significant effect on the plasma. The response to the TF error field is shown to depend on the presence of a q = 1 surface, in qualitative agreement with experimental observations. It is found that certain characteristics of the TF error field present new challenges for error field correction. Specifically, the error field spectrum differs significantly from that of coils on the low-field side (such as the NSTX-U error field correction coils), and does not resonate strongly with the dominant kink mode, thus potentially requiring a multi-mode correction. Moreover, to mitigate heat fluxes using poloidal flux expansion, the pitch angle at the divertor plates must be small (~1°). It is shown that uncorrected error fields may result in potentially significant local perturbation to the pitch angle. Estimates for coil alignment tolerances in NSTX-U are derived based on consideration of both heat flux and core resonant fields independently.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Highlighting the Impact of Yaw Control by Parsing Atmospheric Conditions Based on Total Variation: Preprint
Identification of atmospheric conditions within a multivariate atmospheric dataset is a necessary step in the validation of wind plant control strategies. Most often, operating conditions are characterized in terms of aggregated observations and assume that the atmosphere is 'quasi-steady'. Aggregation of observations without regard to covariance between time series discounts the dynamical nature of the atmosphere and is not sufficiently representative of wind plant operating conditions. Identification and characterization of continuous time periods with atmospheric conditions that have a high value for analysis or simulation sets the stage for more advanced model validation and the development of real-time control and operation strategies. Controlling observational data for statistical stationarity highlights significant enhancements to the power production of waked turbines under wake steering wind plant control. Considering the combined energy ratio of the turbine to which yaw offsets are prescribed as well as the waked turbine show only moderate improvements when filtering for total validation. The same quality control that highlights wake steering also serves to underpin the off-nominal operation of the controlled turbine.
17 WIND ENERGY↗
Impact of ocean model resolution on understanding the delayed warming of the Southern Ocean
Abstract Currently available historical climate change simulations indicate a relatively delayed Southern Ocean warming, particularly poleward of the Antarctic Circumpolar Current (ACC) compared much of the rest of the globe. However, even this simulated delayed warming is inconsistent with observational estimates which show a cooling trend poleward of the ACC for the period 1979–2014. A fully coupled model run at two resolutions, i.e. ocean eddy parameterized and ocean eddy resolving, driven by historical and fixed CO2 concentration is used to investigate forced trends south of the ACC. We analyze the 1961–2005 Southern Ocean surface and upper ocean temperatures trends simulated by the model and observational estimates to understand the observed trends in the SO. At both resolutions, the models successfully reproduce the observed warming response for the northern flank of the ACC. The eddy resolving simulations, however, are able to reproduce the observed near Antarctic cooling in contrast to the eddy parameterized simulation which shows a warming trend. The cause of this inconsistency between the observations and the ocean eddy parameterized climate models is still a matter of debate, and we show here results that suggest resolved ocean meso-scale processes may be an integral part of capturing the observed trends in the Southern Ocean.
Environmental Sciences & Ecology↗
Dust in and around galaxies: dust in cluster environments and its impact on gas cooling
Simulating the dust content of galaxies and their surrounding gas is challenging due to the wide range of physical processes affecting the dust evolution. Here we present cosmological hydrodynamical simulations of a cluster of galaxies, M 200,crit = 6×10 14 M ⊙ , including a novel dust model for the moving mesh code AREPO. This model includes dust production, growth, supernova-shock-driven destruction, ion-collision-driven thermal sputtering, and high-temperature dust cooling through far-infrared reradiation of collisionally deposited electron energies. Adopting a rather low thermal sputtering rate, we find, consistent with observations, a present-day overall dust-to-gas ratio of ~2 × 10 -5 , a total dust mass of ~2×10 9 M ⊙ , and a dust mass fraction of ~3 × 10 -6 . The typical thermal sputtering time-scales within ~100 kpc are around ~10 Myr, and increase towards the outer parts of the cluster to ~10 3 Myr at a cluster-centric distance of 1 Mpc. The condensation of gas-phase metals into dust grains reduces high-temperature metal-line cooling, but also leads to additional dust infrared cooling. The additional infrared cooling changes the overall cooling rate in the outer parts of the cluster, beyond ~1 Mpc, by factors of a few. This results in noticeable changes of the entropy, temperature, and density profiles of cluster gas once dust formation is included. The emitted dust infrared emission due to dust cooling is consistent with observational constraints.
79 ASTRONOMY AND ASTROPHYSICS↗
Pyruvate, phosphate dikinase regulatory protein impacts light response of C4 photosynthesis in Setaria viridis
In C4 plants, the pyruvate (Pyr), phosphate dikinase regulatory protein (PDRP) regulates the activity of the C4 pathway enzyme Pyr, phosphate dikinase (PPDK) in a light-/dark-dependent manner. The importance of this regulatory action to C4 pathway function and overall C4 photosynthesis is unknown. To resolve this question, we assessed in vivo PPDK phospho-regulation and whole leaf photophysiology in a CRISPR–Cas9 PDRP knockout (KO) mutant of the NADP-ME C4 grass green millet (Setaria viridis). PDRP enzyme activity was undetectable in leaf extracts from PDRP KO lines. Likewise, PPDK phosphorylated at the PDRP-regulatory Thr residue was immunologically undetectable in leaf extracts. PPDK enzyme activity in rapid leaf extracts was constitutively high in the PDRP KO lines, irrespective of light or dark pretreatment of leaves. Gas exchange analysis of net CO2 assimilation revealed PDRP KO leaves had markedly slower light induction kinetics when leaves transition from dark to high-light or low-light to high-light. In the initial 30 min of the light induction phase, KO leaves had an ~15% lower net CO2 assimilation rate versus the wild-type (WT). Despite the impaired slower induction kinetics, we found growth and vigor of the KO lines to be visibly indistinguishable from the WT when grown in normal air and under standard growth chamber conditions. However, the PDRP KO plants grown under a fluctuating light regime exhibited a gradual multi-day decline in Fv/Fm, indicative of progressive photosystem II damage due to the absence of PDRP. Collectively, our results demonstrate that one of PDRP’s functions in C4 photosynthesis is to ensure optimal photosynthetic light induction kinetics during dynamic changes in incident light.
Plant Sciences↗
Impact of hollow-atom formation on coherent x-ray scattering at high intensity
X-ray free-electron lasers (FELs) are promising tools for structural determination of macromolecules via coherent x-ray scattering. During ultrashort and ultraintense x-ray pulses with an atomic-scale wavelength, samples are subject to radiation damage and possibly become highly ionized, which may influence the quality of x-ray scattering patterns. We develop a toolkit to treat detailed ionization, relaxation, and scattering dynamics for an atom within a consistent theoretical framework. The coherent x-ray scattering problem including radiation damage is investigated as a function of x-ray FEL parameters such as pulse length, fluence, and photon energy. We find that the x-ray scattering intensity saturates at a fluence of {approx}10{sup 7} photon/A{sup 2} per pulse but can be maximized by using a pulse duration much shorter than the time scales involved in the relaxation of the inner-shell vacancy states created. Under these conditions, both inner-shell electrons in a carbon atom are removed, and the resulting hollow atom gives rise to a scattering pattern with little loss of quality for a spatial resolution >1 A. Our numerical results predict that in order to scatter from a carbon atom 0.1 photon per x-ray pulse, within a spatial resolution of 1.7 A, a fluence of 1x10{sup 7} photons/A{sup 2} per pulse is required at a pulse length of 1 fs and a photon energy of 12 keV. By using a pulse length of a few hundred attoseconds, one can suppress even secondary ionization processes in extended systems. The present results suggest that high-brightness attosecond x-ray FELs would be ideal for single-shot imaging of individual macromolecules.
74 ATOMIC AND MOLECULAR PHYSICS↗