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Report on activities and findings under DOE grant “Collaborative research. An Interactive Multi-Model for Consensus on Climate Change”

The project takes a hierarchical approach. The supermodeling scheme was first studied exhaustively with simple systems of ordinary differential equations. Results were described in detail in the previous report. The principal findings were that 1) for highly non-linear systems, such as Lorenz-63, including systems which describe phenomena on very different (atmosphere/ocean) times scales, supermodeling is far superior to any form of output-averaging; 2) negative coefficients can be used to advantage in situations where all models err in the same way, but to different degrees; 3) an interesting variant of supermodeling, “weighted supermodeling”, is the limiting case where inter-model nudging coefficients in the originally conceived “connected supermodel” become infinite, but with fixed ratios, corresponding to a direct combination of the tendencies that appear in corresponding equations for the alternative models; 4) noise is useful for avoiding local optima in training the inter-model coefficients in the supermodel. The supermodeling scheme was then investigated with simple quasigeostrophic (QG) models. As described in the previous report, it was found that QG models on a sphere can be coupled most efficaciously by working in a basis which captures the most variance, rather than the most instability, a somewhat unexpected result that still deserves scrutiny in a broader context. Further studies (since the last report) with QG channel models addressed the central question of when supermodeling is superior to output averaging in situations where nonlinearites are less extreme than with the ODEs initially studied. It was found that for realistic variations in a parameter in the QG model, output averaging is sufficient to capture all but the most subtle quantitative and qualitative behavior. Supermodeling helps when qualitative differences between the models result from unrealistically large parameter differences, or when very detailed spatial structure of the modes of variability are of interest. Therefore, the scheme may still be useful in the case of full climate models with qualitatively different parametrization schemes. A supermodel was constructed from the intermediate-complexity SPEEDO model, a primitive equation model with ocean and land. Versions defined by different parameter choices, in a realistic range, were connected and the coefficients trained. Some improvement was found as compared to output averaging. The learning algorithm used thus far gives sub-optimal, but still useful results when the CO 2 level and other parameters are varied. Spatial structure remains to be studied. The first use of supermodeling with full climate models has been with variants of the ECHAM model that use different convection schemes. As yet the models are only connected at the ocean-atmosphere interface, where weighted combinations of fluxes from the two atmospheres are passed to a common ocean, and the weights adapted during a training period. The supermodel was surprisingly successful at avoiding unrealistic features such as the double-ITCZ (Intertropical Convergence Zone), a problem that arises in both of the two models run separately. The supermodels constructed thus far have not identified dynamical regime shifts in future climate. Thus the planned connection with the work of Tsonis on the relationship between regime shifts and synchronization/de-synchronization among the major climate modes (see U. Wisconsin report) has not yet been made. However the network analysis of the climate system, in observations and models, that was done in conjunction with that study, shows that models differ strongly from one another and from observations in regard to the dynamical structure described by correlation networks [Steinhaeuser and Tsonis 2013], providing a further justification for supermodeling. Toward a general software framework for supermodeling, three versions of CAM (the Community Atmosphere Model) at NCAR were configured for inter-model nudging using the DART (Data Assimilation Research Testbed) capability to stop and re-start models in synchrony. It was clearly established that the inter-model nudging adds almost no computational burden to the runs, but there appears to be a problem with the re-initialization software that is still being debugged. Publications: Several papers were published on the basic idea of the interactive multi-model (supermodel) including demonstrations with low-order ODEs. The last of these, a semi-philosophical review paper on the relevance of synchronization generally, encountered considerable resistance but was finally published in Entropy [Duane 2015]. A paper on the ECHAM/COSMOS supermodel, containing the most promising results so far [Shen et al. 2015] is presently under review.

58 GEOSCIENCES↗

Collisionless absorption, hot electron generation, and energy scaling in intense laser-target interaction

Among the various attempts to understand collisionless absorption of intense and superintense ultrashort laser pulses, a whole variety of models and hypotheses has been invented to describe the laser beam target interaction. In terms of basic physics, collisionless absorption is understood now as the interplay of the oscillating laser field with the space charge field produced by it in the plasma. A first approach to this idea is realized in Brunel's model the essence of which consists in the formation of an oscillating charge cloud in the vacuum in front of the target, therefore frequently addressed by the vague term “vacuum heating.” The investigation of statistical ensembles of orbits shows that the absorption process is localized at the ion-vacuum interface and in the skin layer: Single electrons enter into resonance with the laser field thereby undergoing a phase shift which causes orbit crossing and braking of Brunel's laminar flow. This anharmonic resonance acts like an attractor for the electrons and leads to the formation of a Maxwellian tail in the electron energy spectrum. Most remarkable results of our investigations are the Brunel like spectral hot electron distribution at the relativistic threshold, the minimum of absorption at Iλ{sup 2}≅(0.3−1.2)×10{sup 21} Wcm{sup −2}μm{sup 2} in the plasma target with the electron density of n{sub e}λ{sup 2}∼10{sup 23}cm{sup −3}μm{sup 2}, the drastic reduction of the number of hot electrons in this domain and their reappearance in the highly relativistic domain, and strong coupling, beyond expectation, of the fast electron jets with the return current through Cherenkov emission of plasmons. The hot electron energy scaling shows a strong dependence on intensity in the moderately relativistic domain Iλ{sup 2}≅(10{sup 18}−10{sup 20}) Wcm{sup −2}μm{sup 2}, a scaling in vague accordance with current published estimates in the range Iλ{sup 2}≅(0.14−3.5)×10{sup 21} Wcm{sup −2}μm{sup 2}, and again a distinct power increase beyond I=3.5×10{sup 21} Wcm{sup −2}μm{sup 2}. The low energy electrons penetrate normally to the target surface, the energetic electrons propagate in laser beam direction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Direct-drive inertial confinement fusion: A review

In this study, the direct-drive, laser-based approach to inertial confinement fusion (ICF) is reviewed from its inception following the demonstration of the first laser to its implementation on the present generation of high-power lasers. The review focuses on the evolution of scientific understanding gained from target-physics experiments in many areas, identifying problems that were demonstrated and the solutions implemented. The review starts with the basic understanding of laser–plasma interactions that was obtained before the declassification of laser-induced compression in the early 1970s and continues with the compression experiments using infrared lasers in the late 1970s that produced thermonuclear neutrons. The problem of suprathermal electrons and the target preheat that they caused, associated with the infrared laser wavelength, led to lasers being built after 1980 to operate at shorter wavelengths, especially 0.35 um—the third harmonic of the Nd:glass laser—and 0.248 um (the KrF gas laser). The main physics areas relevant to direct drive are reviewed. The primary absorption mechanism at short wavelengths is classical inverse bremsstrahlung. Nonuniformities imprinted on the target by laser irradiation have been addressed by the development of a number of beam-smoothing techniques and imprint-mitigation strategies. The effects of hydrodynamic instabilities are mitigated by a combination of imprint reduction and target designs that minimize the instability growth rates. Several coronal plasma physics processes are reviewed. The two-plasmon–decay instability, stimulated Brillouin scattering (together with cross-beam energy transfer), and (possibly) stimulated Raman scattering are identified as potential concerns, placing constraints on the laser intensities used in target designs, while other processes (self-focusing and filamentation, the parametric decay instability, and magnetic fields), once considered important, are now of lesser concern for mainline direct-drive target concepts. Filamentation is largely suppressed by beam smoothing. Thermal transport modeling, important to the interpretation of experiments and to target design, has been found to be non-local in nature. Advances in shock timing and equation-of-state measurements relevant to direct-drive ICF are reported. Room-temperature implosions have provided an increased understanding of the importance of stability and uniformity. The evolution of cryogenic implosion capabilities, leading to an extensive series carried out on the 60-beam OMEGA laser [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)], is reviewed together with major advances in cryogenic target formation. A polar-drive concept has been developed that will enable direct-drive–ignition experiments to be performed on the National Ignition Facility [C. A. Haynam et al., Appl. Opt. 46 (16), 3276 (2007)]. The advantages offered by the alternative approaches of fast ignition and shock ignition and the issues associated with these concepts are described. The lessons learned from target-physics and implosion experiments are taken into account in ignition and high-gain target designs for laser wavelengths of 1/3 μm and 1/4 μm. Substantial advances in direct-drive inertial fusion reactor concepts are reviewed. Overall, the progress in scientific understanding over the past five decades has been enormous, to the point that inertial fusion energy using direct drive shows significant promise as a future environmentally attractive energy source.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Potential involvement of kinesin-1 in the regulation of subcellular localization of Girdin

Girdin is an actin-binding protein that has multiple functions in postnatal neural development and cancer progression. We previously showed that Girdin is a regulator of migration for neuroblasts born from neural stem cells in the subventricular zone (SVZ) and the dentate gyrus of the hippocampus in the postnatal brain. Despite a growing list of Girdin-interacting proteins, the mechanism of Girdin-mediated migration has not been fully elucidated. Girdin interacts with Disrupted-In-Schizophrenia 1 and partitioning-defective 3, both of which have been shown to interact with the kinesin microtubule motor proteins. Based on this, we have identified that Girdin also interacts with kinesin-1, a member of neuronal kinesin proteins. Although a direct interaction of Girdin and kinesin-1 has not been determined, it is of interest to find that Girdin loss-of-function mutant mice with the mutation of a basic amino acid residue-rich region (Basic mut mice) exhibit limited interaction with kinesin-1. Furthermore, expression of a kinesin-1 mutant with motor defects, leads to Girdin mislocalization. Finally, consistent with previous studies on the role of kinesin proteins in trafficking a cell–cell adhesion molecule N-cadherin, Basic mut mice showed an aberrant expression pattern of N-cadherin in migrating SVZ neuroblasts. These findings suggest a potential role of Girdin/kinesin-1 interaction in the regulation of neuroblast migration in the postnatal brain. - Highlights: • Girdin is a regulator of migration for neuroblasts in the postnatal brain. • Girdin interacts with kinesin-1, a member of neuronal kinesin proteins. • Girdin mutant mice showed an aberrant expression of N-cadherin in neuroblasts.

60 APPLIED LIFE SCIENCES↗

2D Ionic Liquid-Like State of Charged Rare-Earth Clusters on a Metal Surface

Rare-earth complexes are vital for separation chemistry and useful in many advanced applications including emission and energy upconversion. Here, 2D rare-earth clusters having net charges are formed on a metal surface, enabling investigations of their structural and electronic properties on a one-cluster-at-a-time basis using scanning tunneling microscopy. While these ionic complexes are highly mobile on the surface at ≈100 K, their mobility is greatly reduced at 5 K and reveals stable and self-limiting clusters. In each cluster, a pair of charged rare-earth complexes formed by electrostatic and dispersive interactions act as a basic unit, and the clusters are chiral. Unlike other non-ionic molecular clusters formed on the surfaces, these rare-earth clusters show mechanical stability. Moreover, their high mobility on the surface suggests that they are in a 2D liquid-like state.

36 MATERIALS SCIENCE↗

Metal–Organic Framework Containing Planar Metal-Binding Sites: Efficiently and Cost-Effectively Enhancing the Kinetic Separation of C 2 H 2 /C 2 H 4

One of the emerging problems plaguing the chemical industry today is the efficient and cost-effective separation of C 2 hydrocarbons. In order to help address this problem, we report a new material, NbU-1, constructed by extremely cheap starting materials. The special structural characteristics of NbU-1 such as the planar, mixed-valence copper clusters and Lewis-basic adsorption channels enforce interactions with acetylene molecules that lead to the highest kinetic separation efficiency for C 2 H 2 /C 2 H 4 . Via DFT-D calculations, it is indicated that C 2 H 2 molecules are adsorbed onto the two adjacent Cu(I) centers, but not the usual single open metal sites of Cu centers. Here, the reported results not only provide information for a deep investigation into the separation mechanism but also offer an alternative strategy for preparing cost-effective materials that can perform highly efficient separations of light hydrocarbons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Phosphate steering by Flap Endonuclease 1 promotes 5'-flap specificity and incision to prevent genome instability

DNA replication and repair enzyme Flap Endonuclease 1 (FEN1) is vital for genome integrity, and FEN1 mutations arise in multiple cancers. FEN1 precisely cleaves single-stranded (ss) 5'-flaps one nucleotide into duplex (ds) DNA. Yet, how FEN1 selects for but does not incise the ss 5'-flap was enigmatic. Here we combine crystallographic, biochemical and genetic analyses to show that two dsDNA binding sites set the 5'polarity and to reveal unexpected control of the DNA phosphodiester backbone by electrostatic interactions. Via phosphate steering', basic residues energetically steer an inverted ss 5'-flap through a gateway over FEN1's active site and shift dsDNA for catalysis. Mutations of these residues cause an 18,000-fold reduction in catalytic rate in vitro and large-scale trinucleotide (GAA) n repeat expansions in vivo, implying failed phosphate-steering promotes an unanticipated lagging-strand template-switch mechanism during replication. Thus, phosphate steering is an unappreciated FEN1 function that enforces 5'-flap specificity and catalysis, preventing genomic instability.

59 BASIC BIOLOGICAL SCIENCES↗

Experimental study from linear to chaotic regimes on a terahertz-frequency gyrotron oscillator

Basic wave-particle interaction dynamics from linear to chaotic regimes is experimentally studied on a frequency tunable gyrotron generating THz radiation in continuous mode (200 W) at 263 GHz which will be used for dynamic nuclear polarization nuclear magnetic resonance spectroscopy applications. In the studied system, the nonlinear dynamics associated to the wave-particle interaction is dominated by longitudinal mode competition of a given transverse TE{sub m,p} cavity-mode. This study covers a wide range of control parameter from gyro-traveling wave tube (gyro-TWT) to gyro-backward wave oscillator (gyro-BWO) like interactions for which extensive theoretical studies have been performed in the past on a simplified system. Besides the common route to chaos characterized by period doubling, other routes have been identified among which some are characterized by line-width frequency-broadening on the side-bands. The complex nonlinear dynamics is in good agreement with the theory and the experimental results are discussed on the basis of the prediction obtained with the nonlinear time-dependent self-consistent codes TWANG and EURIDICE both based on a slow-time scale formulation of the self-consistent equations governing the wave-particle dynamics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Alcohol based-deep eutectic solvent (DES) as an alternative green additive to increase rotenone yield

Deep eutectic solvents (DESs) are basically molten salts that interact by forming hydrogen bonds between two added components at a ratio where eutectic point reaches a melting point lower than that of each individual component. Their remarkable physicochemical properties (similar to ionic liquids) with remarkable green properties, low cost and easy handling make them a growing interest in many fields of research. Therefore, the objective of pursuing this study is to analyze the potential of alcohol-based DES as an extraction medium for rotenone extraction from Derris elliptica roots. DES was prepared by a combination of choline chloride, ChCl and 1, 4-butanediol at a ratio of 1/5. The structure of elucidation of DES was analyzed using FTIR, {sup 1}H-NMR and {sup 13}C-NMR. Normal soaking extraction (NSE) method was carried out for 14 hours using seven different types of solvent systems of (1) acetone; (2) methanol; (3) acetonitrile; (4) DES; (5) DES + methanol; (6) DES + acetonitrile; and (7) [BMIM] OTf + acetone. Next, the yield of rotenone, % (w/w), and its concentration (mg/ml) in dried roots were quantitatively determined by means of RP-HPLC. The results showed that a binary solvent system of [BMIM] OTf + acetone and DES + acetonitrile was the best solvent system combination as compared to other solvent systems. It contributed to the highest rotenone content of 0.84 ± 0.05% (w/w) (1.09 ± 0.06 mg/ml) and 0.84 ± 0.02% (w/w) (1.03 ± 0.01 mg/ml) after 14 hours of exhaustive extraction time. In conclusion, a combination of the DES with a selective organic solvent has been proven to have a similar potential and efficiency as of ILs in extracting bioactive constituents in the phytochemical extraction process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Laser technologies in biophotonics

This and the following issues of Quantum Electronics comprise articles reflecting the state of the art of laser technologies both currently applied and promising for application in biomedical research. Rapid development of biophotonics that we witness nowadays is due to a number of factors. These include the new results in basic studies of the interaction of laser radiation with biological tissues and cells, essential progress in the field of development of means for delivery, detection and imaging of optical radiation, and implementation of novel computer- and nanotechnologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

MO-A-18C-01: Proton Therapy I: Basics of Proton Therapy

The goal of this session is to introduce the audience to the physics, dosimetry and treatment planning procedures used in proton therapy. The course material covers the basic physics of proton interaction with matter and physical characteristics of clinical proton beams. It will provide information on proton delivery systems and beam delivery techniques for scattered and scanning proton beams. It will include the requirements for dosimetry measurements and present the equipment needed for commissioning of proton beams for clinical use and quality assurance checks as well as methods used for proton beam calibration and dose verification of patient treatment fields. The session covers the treatment planning strategies for various anatomical sites, methods to address uncertainties in proton therapy and uncertainty mitigation to generate robust treatment plans. Challenges involved in the motion management in proton therapy will also be discussed. Learning Objectives: Gain knowledge on physics, dosimetry, treatment planning and quality assurance for proton therapy. Understand the uncertainties associated with proton therapy and currently used strategies for their mitigation in treatment planning.

07 ISOTOPE AND RADIATION SOURCES↗

Long-Term Cellulose Enrichment Selects for Highly Cellulolytic Consortia and Competition for Public Goods

Microbial communities are a key driver of the carbon cycle through the breakdown of complex polysaccharides in diverse environments including soil, marine systems, and the mammalian gut. However, due to the complexity of these communities, the species-species interactions that impact community structure and ultimately shape the rate of decomposition are difficult to define.

microbial interactions↗

Cross sections and barriers for nuclear fission induced by high-energy nucleons

The cross sections for the fission of {sup 232}Th, {sup 235,238}U, {sup 237}Np, and {sup 239}Pu target nuclei that was induced by 20- to 1000-MeV neutrons and protons were calculated. The respective calculations were based on the multiconfiguration-fission (MCFx) model, which was used to describe three basic stages of the interaction of high-energy nucleons with nuclei: direct processes (intranuclear cascade), equilibration of the emerging compound system, and the decay of the compound nucleus (statistical model). Fission barriers were calculated within the microscopic approach for isotopic chains formed by 15 to 20 nuclei of the required elements. The calculated fission cross sections were compared with available experimental data. It was shown that the input data set and the theoretical model used made it possible to predict satisfactorily cross section for nuclear fission induced by 20- to 1000-MeV nucleons.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A.I. for nuclear physics

Nuclear science is concerned with the understanding of the nature of matter, its basic constituents and their interaction to form the elements and the properties we observe. This includes the forms of matter we see around us and also exotic forms such as those that existed in the first moments after the Big Bang and that exist today inside neutron stars. The techniques, tools, and expertise needed for nuclear physics (NP) research are therefore diverse in nature. State-of-the art accelerators are being developed to illuminate the dynamical basis of the core of the atom in terms of the fundamental constituents called quarks and gluons and to increase the number of isotopes with known properties. This scientific infrastructure is reaching scales and complexities that require computational methods for tasks such as anomaly detection in operational data. New methodologies are needed to detect anomalies and to optimize operating parameters, predict failures as well as to discover new optimization algorithms.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Biositing Webtool, v1

The webtool displays the following types of data: Wastewater treatment plants (WWTP) with anaerobic digestion Facilities with anaerobic digestion onsite other than WWTP Combustion plants. Manure locations. Manure (non points) Municipal solid waste locations Crop locations Processor residue (non points) District energy systems Mixed use developments (non points) Process heating and cooling locations Basic Usage Users can interact with the map in the following ways: Select the year of the analysis from a drop-down menu. Set the background layer as biomass availability or thermal consumption density from a drop-down menu. Select whether the facility of interest is an Anaerobic Digestion or a Therochemical facility from a drop-down menu. This filters the biomass data by moisture and only shows the relevant portions based on the facility selection. Select from a drop-down menu whether the biomass amounts will be shown as gross amounts or technical amounts. Set the radius for the search buffer in which the analysis will be performed. Click on any point data on the map to get more information. Click on the map, to given the signal of the query point location, from where the algorithmic process is going to initiate. This will show the available biomass locations and amounts that fall within the predefined buffer zone. Download the data in a csv format for the entire county or the selected biomass that is inside the predefined buffer. Report whether there are errors in the data to us and we will work to the best of our abilities to confirm and fix any issues. The outputs of the algorithmic process are going to appear on the screen after the computation is done. The outputs consist of the locations of all available biomass that are within the buffer zone from the clicked location. By clicking on any point the user can get more information on the nature and amounts of the biomass.

Scown, Corinne↗

Confronting Regulatory Cost and Quality Expectations. An Exploration of Technical Change in Minimum Efficiency Performance Standards

The dual purpose of this project was to contribute to basic knowledge about the interaction between regulation and innovation and to inform the cost and benefit expectations related to technical change which are embedded in the rulemaking process of an important area of national regulation. The area of regulation focused on here is minimum efficiency performance standards (MEPS) for appliances and other energy-using products. Relevant both to U.S. climate policy and energy policy for buildings, MEPS remove certain product models from the market that do not meet specified efficiency thresholds.

99 GENERAL AND MISCELLANEOUS↗

White Paper on Nuclear Data Needs and Capabilities for Basic Science

Reliable nuclear structure and reaction data represent the fundamental building blocks of nuclear physics and astrophysics research, and are also of importance in many applications. There is a continuous demand for high-quality updates of the main nuclear physics databases via the prompt compilation and evaluation of the latest experimental and theoretical results. The nuclear physics research community benefits greatly from comprehensive, systematic and up-to-date reviews of the experimentally determined nuclear properties and observables, as well as from the ability to rapidly access these data in user-friendly forms. Such credible databases also act as a bridge between science, technology, and society by making the results of basic nuclear physics research available to a broad audience of users, and hence expand the societal utilization of nuclear science. Compilation and evaluation of nuclear data has deep roots in the history of nuclear science research, as outlined in Appendix 1. They have an enormous impact on many areas of science and applications, as illustrated in Figure 2 for the Evaluated Nuclear Structure Data File (ENSDF) database. The present workshop concentrated on the needs of the basic nuclear science community for data and capabilities. The main role of this community is to generate and use data in order to understand the basic nuclear forces and interactions that are responsible for the existence and the properties of all nuclides and, as a consequence, to gain knowledge about the origins, evolution and structure of the universe. Thus, the experiments designed to measure a wealth of nuclear properties towards these fundamental scientific goals are typically performed from within this community.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗