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Proceedings of the 2011 Monitoring Research Review: Ground-Based Nuclear Explosion Monitoring Technologies

These proceedings contain papers prepared for the Monitoring Research Review 2011: Ground-Based Nuclear Explosion Monitoring Technologies, held 13-15 September, 2011 in Tucson, Arizona. These papers represent the combined research related to ground-based nuclear explosion monitoring funded by the National Nuclear Security Administration (NNSA), Defense Threat Reduction Agency (DTRA), Air Force Research Laboratory (AFRL), US Army Space and Missile Defense Command, Comprehensive Nuclear-Test-Ban Treaty Organization (CTBTO), National Science Foundation (NSF), and other invited sponsors. The scientific objectives of the research are to improve the United States' capability to detect, locate, and identify nuclear explosions. The purpose of the meeting is to provide the sponsoring agencies, as well as potential users, an opportunity to review research accomplished during the preceding year and to discuss areas of investigation for the coming year. For the researchers, it provides a forum for the exchange of scientific information toward achieving program goals, and an opportunity to discuss results and future plans. Paper topics include: seismic regionalization and calibration; detection and location of sources; wave propagation from source to receiver; the nature of seismic sources, including mining practices; hydroacoustic, infrasound, and radionuclide methods; on-site inspection; and data processing.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Linking the micro and macro: L-H transition dynamics and threshold physics

The links between the microscopic dynamics and macroscopic threshold physics of the L → H transition are elucidated. Emphasis is placed on understanding the physics of power threshold scalings, and especially on understanding the minimum in the power threshold as a function of density P{sub thr} (n). By extending a numerical 1D model to evolve both electron and ion temperatures, including collisional coupling, we find that the decrease in P{sub thr} (n) along the low-density branch is due to the combination of an increase in collisional electron-to-ion energy transfer and an increase in the heating fraction coupled to the ions. Both processes strengthen the edge diamagnetic electric field needed to lock in the mean electric field shear for the L→H transition. The increase in P{sub thr} (n) along the high-density branch is due to the increase with ion collisionality of damping of turbulence-driven shear flows. Turbulence driven shear flows are needed to trigger the transition by extracting energy from the turbulence. Thus, we identify the critical transition physics components of the separatrix ion heat flux and the zonal flow excitation. The model reveals a power threshold minimum in density scans as a crossover between the threshold decrease supported by an increase in heat fraction received by ions (directly or indirectly, from electrons) and a threshold increase, supported by the rise in shear flow damping. The electron/ion heating mix emerges as important to the transition, in that it, together with electron-ion coupling, regulates the edge diamagnetic electric field shear. The importance of possible collisionless electron-ion heat transfer processes is explained.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The impacts of pore-scale physical and chemical heterogeneities on the transport of radionuclide-carrying colloids

Independent of the methods of nuclear waste disposal, the degradation of packaging materials could lead to mobilization and transport of radionuclides into the geosphere. This process can be significantly accelerated due to the association of radionuclides with the backfill materials or mobile colloids in groundwater. The transport of these colloids is complicated by the inherent coupling of physical and chemical heterogeneities (e.g., pore space geometry, grain size, charge heterogeneity, and surface hydrophobicity) in natural porous media that can exist on the length scale of a few grains. In addition, natural colloids themselves are often heterogeneous in their surface properties (e.g., clay platelets possess opposite charges on the surface and along the rim). Both physical and chemical heterogeneities influence the transport and retention of radionuclides under various groundwater conditions. However, the precise mechanisms how these coupled heterogeneities influence colloidal transport are largely elusive. This knowledge gap is a major source of uncertainty in developing accurate models to represent the transport process and to predict distribution of radionuclides in the geosphere.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Final Technical Report: Mathematical Foundations for Uncertainty Quantification in Materials Design

We developed path-wise information theory-based and goal-oriented sensitivity analysis and parameter identification methods for complex high-dimensional dynamics and in particular of non-equilibrium extended molecular systems. The combination of these novel methodologies provided the first methods in the literature which are capable to handle UQ questions for stochastic complex systems with some or all of the following features: (a) multi-scale stochastic models such as (bio)chemical reaction networks, with a very large number of parameters, (b) spatially distributed systems such as Kinetic Monte Carlo or Langevin Dynamics, (c) non-equilibrium processes typically associated with coupled physico-chemical mechanisms, driven boundary conditions, hybrid micro-macro systems, etc. A particular computational challenge arises in simulations of multi-scale reaction networks and molecular systems. Mathematical techniques were applied to in silico prediction of novel materials with emphasis on the effect of microstructure on model uncertainty quantification (UQ). We outline acceleration methods to make calculations of real chemistry feasible followed by two complementary tasks on structure optimization and microstructure-induced UQ.

97 MATHEMATICS AND COMPUTING↗

Coupled Boltzmann computation of mixed axion neutralino dark matter in the SUSY DFSZ axion model

The supersymmetrized DFSZ axion model is highly motivated not only because it offers solutions to both the gauge hierarchy and strong CP problems, but also because it provides a solution to the SUSY μ-problem which naturally allows for a Little Hierarchy. We compute the expected mixed axion-neutralino dark matter abundance for the SUSY DFSZ axion model in two benchmark cases—a natural SUSY model with a standard neutralino underabundance (SUA) and an mSUGRA/CMSSM model with a standard overabundance (SOA). Our computation implements coupled Boltzmann equations which track the radiation density along with neutralino, axion, axion CO (produced via coherent oscillations), saxion, saxion CO, axino and gravitino densities. In the SUSY DFSZ model, axions, axinos and saxions go through the process of freeze-in—in contrast to freeze-out or out-of-equilibrium production as in the SUSY KSVZ model—resulting in thermal yields which are largely independent of the re-heat temperature. We find the SUA case with suppressed saxion-axion couplings (ξ=0) only admits solutions for PQ breaking scale f{sub a}∼< 6× 10{sup 12} GeV where the bulk of parameter space tends to be axion-dominated. For SUA with allowed saxion-axion couplings (ξ =1), then f{sub a} values up to ∼ 10{sup 14} GeV are allowed. For the SOA case, almost all of SUSY DFSZ parameter space is disallowed by a combination of overproduction of dark matter, overproduction of dark radiation or violation of BBN constraints. An exception occurs at very large f{sub a}∼ 10{sup 15}–10{sup 16} GeV where large entropy dilution from CO-produced saxions leads to allowed models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Search for a scalar or pseudoscalar dilepton resonance produced in association with a massive vector boson or top quark-antiquark pair in multilepton events at s = 13 TeV

A search for beyond the standard model spin-0 bosons, ϕ , that decay into pairs of electrons, muons, or tau leptons is presented. The search targets the associated production of such bosons with a W or Z gauge boson, or a top quark-antiquark pair, and uses events with three or four charged leptons, including hadronically decaying tau leptons. The proton-proton collision data set used in the analysis was collected at the LHC from 2016 to 2018 at a center-of-mass energy of 13 TeV, and corresponds to an integrated luminosity of 138 fb - 1 . The observations are consistent with the predictions from standard model processes. Upper limits are placed on the product of cross sections and branching fractions of such new particles over the mass range of 15 to 350 GeV with scalar, pseudoscalar, or Higgs-boson-like couplings, as well as on the product of coupling parameters and branching fractions. Several model-dependent exclusion limits are also presented. For a Higgs-boson-like ϕ model, limits are set on the mixing angle of the Higgs boson with the ϕ boson. For the associated production of a ϕ boson with a top quark-antiquark pair, limits are set on the coupling to top quarks. Finally, limits are set for the first time on a fermiophilic dilaton-like model with scalar couplings and a fermiophilic axion-like model with pseudoscalar couplings.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Measurement and interpretation of same-sign W boson pair production in association with two jets in $pp$ collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

This paper presents the measurement of fiducial and differential cross sections for both the inclusive and electroweak production of a same-sign W-boson pair in association with two jets (W ± W ± jj) using 139 fb –1 of proton-proton collision data recorded at a centre-of-mass energy of $\sqrt{s}$ = 13 TeV by the ATLAS detector at the Large Hadron Collider. The analysis is performed by selecting two same-charge leptons, electron or muon, and at least two jets with large invariant mass and a large rapidity difference. The measured fiducial cross sections for electroweak and inclusive W ± W ± jj production are 2.92 ± 0.22 (stat.) ± 0.19 (syst.) fb and 3.38 ± 0.22 (stat.) ± 0.19 (syst.) fb, respectively, in agreement with Standard Model predictions. The measurements are used to constrain anomalous quartic gauge couplings by extracting 95% confidence level intervals on dimension-8 operators. A search for doubly charged Higgs bosons H ±± that are produced in vector-boson fusion processes and decay into a same-sign W boson pair is performed. The largest deviation from the Standard Model occurs for an H ±± mass near 450 GeV, with a global significance of 2.5 standard deviations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Contributions of flavor violating couplings of a Higgs boson to pp → W W

We study contributions to pp→W + W - →ℓν ℓ ℓ'ν ℓ ' in models with a new Higgs boson, H, and a neutral lepton, ν 4 , with couplings H - ν 4 - ν μ and W- ν 4 - μ through the process pp → H → ν 4 ν μ → Wμν μ → ℓν ℓ μν μ . Contrary to naive expectations, we find that contributions to pp → W W can be very large while satisfying constraints from standard H → W W and H → γγ searches. Even the excess observed by ATLAS in pp → W W , if taken at face value, can be easily accommodated. The various kinematic distributions fit nicely the experimentally determined ones. Lastly, this scenario can arise for example in a two Higgs doublet model with vectorlike leptons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Coupled chemo-mechanical modeling of point-defect diffusion in a crystal plasticity fast Fourier transform framework

Below the yield strength and at moderate-to-high homologous temperatures, the inelastic deformation of metals is mostly governed/rate-controlled by vacancy diffusion-mediated processes. As a function of grain size, stress, temperature and dislocation content, vacancies (or atoms) can adopt preferential diffusion paths across grain interiors, along grain boundaries, or towards and along dislocations, resulting in climb and self-climb. In the steady state and under constant load, grain boundary and grain bulk vacancy diffusion-mediated plasticity have been described in seminal works by Coble and by Nabarro and Herring, respectively. Yet, the interplay between all aforementioned potential diffusion pathways has not been comprehensively mapped. This work presents a thermodynamically-consistent full-field model integrated within a voxel-based elasto-viscoplastic fast Fourier transform framework, which considers the coupling between the diffusion-mediated plasticity mechanisms. In the proposed approach, the kinetics and kinematics of plastic deformation due to vacancy diffusion along grain boundaries and grain bulk, as well as the exchange between grain boundaries and bulk are described explicitly. A homogenization approach at the voxel level is further introduced to simultaneously consider bulk and grain boundary diffusion in a numerically efficient fashion. The new formulation predicts the expected strain rate dependencies and the scaling of the steady-state creep rate with respect to grain size, temperature, and stress. Finally, the model predicts the transition from grain bulk to grain boundary-dominated diffusion with reduction in grain size, a significant step towards capturing transitions in deformation behavior without any phenomenological or ad-hoc adjustments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Experimental protocol for phase 1 of the APARC QUOCA (QUasibiennial oscillation and Ozone Chemistry interactions in the Atmosphere) working group

The quasi-biennial oscillation (QBO) is the main mode of variability in the tropical stratosphere, influencing the predictability of other regions in the atmosphere through its teleconnections to the stratospheric polar vortices and coupling to surface tropical and extratropical variability. However, climate and forecasting models consistently underestimate QBO amplitudes in the lower stratosphere, likely contributing to their failure to simulate these teleconnections. One underexplored contributor to model biases is missing representation of ozone-radiative feedbacks, which enhance temperature variability in the lower stratosphere, particularly at periods at and greater than the QBO (>28 months). While previous studies suggest that ozone-radiative feedbacks can impact QBO periods, amplitudes and the associated secondary circulation in the lower stratosphere, the reported impacts differ widely among models and are hard to interpret due to differences in methodology. To this end, here we propose a coordinated experimental protocol – held joint between the Atmospheric Processes and their Role in Climate (APARC) Quasi-Biennial Oscillation Initiative (QBOi) and Chemistry Climate Modeling Initiative (CCMI) activities – which is aimed at assessing the coupling between stratospheric ozone, temperature and the circulation. We use the proposed experiments to define the ozone feedback on the QBO in both present-day and idealized (abrupt quadrupling of carbon dioxide) climates. While primary focus is on the QBO, the proposed protocol also enables analysis of other aspects of ozone-radiative-dynamical coupling in the atmosphere, including impacts on the Brewer-Dobson Circulation and tropospheric eddy-driven jet responses to future climate change. Here we document the scientific rationale and design of the QUOCA Phase 1 experiments, summarize the data request, and give a brief overview of participating models. Preliminary results using the NASA Goddard Institute for Space Studies E2-2 climate model are used to illustrate sensitivities to certain methodological choices.

Environmental sciences↗

Zγ production at NNLO including anomalous couplings

In this paper we present a next-to-next-to-leading order (NNLO) QCD calculation of the processes $pp\rightarrow l^+l^-\gamma$ and $pp\rightarrow \nu\bar\nu\gamma$ that we have implemented in MCFM. Our calculation includes QCD corrections at NNLO both for the Standard Model (SM) and additionally in the presence of $Z\gamma\gamma$ and $ZZ\gamma$ anomalous couplings. We compare our implementation, obtained using the jettiness slicing approach, with a previous SM calculation and find broad agreement. Focusing on the sensitivity of our results to the slicing parameter, we show that using our setup we are able to compute NNLO cross sections with numerical uncertainties of about $0.1\%$, which is small compared to residual scale uncertainties of a few percent. We study potential improvements using two different jettiness definitions and the inclusion of power corrections. At $\sqrt{s}=13$ TeV we present phenomenological results and consider $Z\gamma$ as a background to $H\to Z\gamma$ production. Here, we find that, with typical cuts, the inclusion of NNLO corrections represents a small effect and loosens the extraction of limits on anomalous couplings by about $10\%$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA GPM GV Science Implementation

Pre-launch algorithm development & post-launch product evaluation: The GPM GV paradigm moves beyond traditional direct validation/comparison activities by incorporating improved algorithm physics & model applications (end-to-end validation) in the validation process. Three approaches: 1) National Network (surface): Operational networks to identify and resolve first order discrepancies (e.g., bias) between satellite and ground-based precipitation estimates. 2) Physical Process (vertical column): Cloud system and microphysical studies geared toward testing and refinement of physically-based retrieval algorithms. 3) Integrated (4-dimensional): Integration of satellite precipitation products into coupled prediction models to evaluate strengths/limitations of satellite precipitation producers.

Petersen, W. A.↗

Stage Separation Performance Analysis Project

Stage separation process is an important phenomenon in multi-stage launch vehicle operation. The transient flowfield coupled with the multi-body systems is a challenging problem in design analysis. The thermodynamics environment with burning propellants during the upper-stage engine start in the separation processes adds to the complexity of the-entire system. Understanding the underlying flow physics and vehicle dynamics during stage separation is required in designing a multi-stage launch vehicle with good flight performance. A computational fluid dynamics model with the capability to coupling transient multi-body dynamics systems will be a useful tool for simulating the effects of transient flowfield, plume/jet heating and vehicle dynamics. A computational model using generalize mesh system will be used as the basis of this development. The multi-body dynamics system will be solved, by integrating a system of six-degree-of-freedom equations of motion with high accuracy. Multi-body mesh system and their interactions will be modeled using parallel computing algorithms. Adaptive mesh refinement method will also be employed to enhance solution accuracy in the transient process.

Chen, Yen-Sen↗

The Diurnal Cycle in TOGA-COARE: Regional Scale Model Simulations

The diurnal variation of precipitation processes over the tropics is a well-known phenomenon and has been studied using surface rainfall data, radar reflectivity data, and satellite-derived cloudiness and precipitation. Recently, analyzed observations from Tropical Oceans and Global Atmosphere Coupled Ocean-Atmosphere Response Experiment (TOGA COARE) in the tropical western Pacific ocean to study the relevant mechanisms producing diurnal variation of precipitation. They found that the diurnal Sea surface temperature (SST) cycle is important for afternoon showers in the undisturbed periods and diurnal radiative processes for nocturnal rainfall. Cloud resolving models (CRMS) have been used to determine the mechanisms associated with diurnal variation of precipitating processes. CRMs allow explicit cloud-radiation and air-sea interactive processes. However, CRMs can be only used for idealized simulations (i.e., no feedback between clouds and their embedded large-scale environments; cyclic lateral boundary conditions and idealized initial conditions). In this study, the Penn State/NCAR Mesoscale Model (MM5) with improved physics (i.e., cloud microphysics, radiation, land-soil-vegetation-surface processes, and TOGA COARE flux scheme) and a multiple level nesting technique (covers the TOGA COARE LSA/IFA with a 54 km grid and can nest down to 18, 6 and possibly even 2 km) will be adopted for studying the diurnal variations of rainfall. We will examine precipitation processes over open ocean and over land. We will also perform sensitivity tests to determine how the radiative forcing and diurnal SST cycle affects the development of convection.

Tao, W.-K.↗

Indium segregation during III–V quantum wire and quantum dot formation on patterned substrates

We report a model for metalorganic vapor-phase epitaxy on non-planar substrates, specifically V-grooves and pyramidal recesses, which we apply to the growth of InGaAs nanostructures. This model—based on a set of coupled reaction-diffusion equations, one for each facet in the system—accounts for the facet-dependence of all kinetic processes (e.g., precursor decomposition, adatom diffusion, and adatom lifetimes) and has been previously applied to account for the temperature-, concentration-, and temporal-dependence of AlGaAs nanostructures on GaAs (111)B surfaces with V-grooves and pyramidal recesses. In the present study, the growth of In{sub 0.12}Ga{sub 0.88}As quantum wires at the bottom of V-grooves is used to determine a set of optimized kinetic parameters. Based on these parameters, we have modeled the growth of In{sub 0.25}Ga{sub 0.75}As nanostructures formed in pyramidal site-controlled quantum-dot systems, successfully producing a qualitative explanation for the temperature-dependence of their optical properties, which have been reported in previous studies. Finally, we present scanning electron and cross-sectional atomic force microscopy images which show previously unreported facetting at the bottom of the pyramidal recesses that allow quantum dot formation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Adjustment of ablation shapes and subwavelength ripples based on electron dynamics control by designing femtosecond laser pulse trains

A quantum model is proposed to investigate femtosecond laser pulse trains processing of dielectrics by including the plasma model with the consideration of laser particle-wave duality. Central wavelengths (400 nm and 800 nm) strongly impact the surface plasmon field distribution, the coupling field intensity distribution (between the absorbed intensity and the surface plasma), and the distribution of transient localized free electron density in the material. This, in turn, significantly changes the localized transient optical/thermal properties during laser materials processing. The effects of central wavelengths on ablation shapes and subwavelength ripples are discussed. The simulation results show that: (1) ablation shapes and the spacing of subwavelength ripples can be adjusted by localized transient electron dynamics control using femtosecond laser pulse trains; (2) the adjustment of the radii of ablation shapes is stronger than that of the periods of subwavelength ripples.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy relaxation model, which can only be applied to molecules, the new model is applicable to atoms, molecules, ions, and their mixtures. Numerical examples and model validations are carried out with two gas mixtures using the maximum entropy linear model: one mixture consists of nitrogen molecules undergoing internal excitation and dissociation and the other consists of nitrogen atoms undergoing internal excitation and ionization. Results show that the original hundreds to thousands of microscopic equations can be reduced to two macroscopic equations with almost perfect agreement for the total number density and total internal energy using only one or two groups. We also obtain good prediction of the microscopic state populations using 5-10 groups in the macroscopic equations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗