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PS2013 Satellite Workshop on Photosynthetic Light-Harvesting Systems

These funds were used for partial support of the PS2013 Satellite Workshop on Photosynthetic Light-Harvesting Systems, that was held on 8-11 August, 2013, at Washington University, St. Louis, MO. This conference, held in conjunction with the 16th International Congress on Photosynthesis/St. Louis, continued a long tradition of light-harvesting satellite conferences that have been held prior to the previous six international photosynthesis congresses. In this Workshop, the basis was explored for the current interest in replacing fossil fuels with energy sources derived form direct solar radiation, coupled with light-driven electron transport in natural photosynthetic systems and how they offer a valuable blueprint for conversion of sunlight to useful energy forms. This was accomplished through sessions on the initial light-harvesting events in the biological conversion of solar energy to chemically stored energy forms, and how these natural photosynthetic processes serve as a guide to the development of robust bio-hybrid and artificial systems for solar energy conversion into both electricity or chemical fuels. Organized similar to a Gordon Research Conference, a lively, informal and collegial setting was established, highlighting the exchange of exciting new data and unpublished results from ongoing studies. A significant amount of time was set aside for open discussion and interactive poster sessions, with a special session devoted to oral presentations by talented students and postdoctoral fellows judged to have the best posters. This area of research has seen exceptionally rapid progress in recent years, with the availability of a number of antenna protein structures at atomic resolution, elucidation of the molecular surface architecture of native photosynthetic membranes by atomic force microscopy and the maturing of ultrafast spectroscopic and molecular biological techniques for the investigation and manipulation of photosynthetic systems. The conferees represented a diverse international and multidisciplinary group, with over 160 individuals attending from a total of 17 different countries. Attendees came from a wide range of fields assuring that the widest possible interdisciplinary exchanges. They included prominent biochemists, biophysicists, plant physiologists, chemical physicists, as well as theoretical and computational physical chemists, who presented their research findings or to hear the latest advances in this very dynamic field. In the choice of speakers, a balance was created between established scientists and young, emerging researchers, given this opportunity to showcase their results. Sessions were held on electronic and vibrational coherence including coherent sharing of excitations among donor and acceptor molecules during excitation energy transfer, nonphotochemical quenching, acclimation to light environments, evolution, adaptation and biodiversity of light-harvesting pigment-protein complexes, their structure and membrane organization, spectroscopy and dynamics, as well as artificial antenna systems. A joint session was also held with the participants from the Cyanobacterial Satellite Conference. A special issue of Photosynthesis Research devoted to light harvesting (Volume 121, Issue No. 1, July 2014) has recently appeared which contains peer-reviewed original research contributions arising from talks and posters presented at the PS2013 Satellite Workshop on Photosynthetic Light-Harvesting Systems. Edited by the Organizers of the Workshop, Robert E. Blankenship, Harry A. Frank and Robert A. Niederman, it includes topics ranging from the isolation of new bacteriochlorophyll species from green bacteria, temperature effects on the excited states of the newly discovered chlorophyll (Chl) ƒ, new architectures for enhancing energy capture by biohybrid light-harvesting complexes, forces governing the formation of light-harvesting rings, spectroscopy of carotenoids of algae and diatoms and the supramolecular organization of caroteno-Chl proteins in diatoms, the molecular basis for urea dissociation of phycocyanin trimers and the role of vibronic molecular excitation theory in describing the spectral dynamics of pigment-protein complexes.

14 SOLAR ENERGY↗

Analysis of Multi-Arm Caliper Data for the U.S. Strategic Petroleum Reserve

The U.S. Strategic Petroleum Reserve (SPR) has an increasing reliance on multi-arm caliper surveys to assess the integrity of casing for cavern access wells and to determine priorities for casing remediation. Multi-arm caliper (MAC) surveys provide a view of well casing deformation by reporting radial measurements of the inner casing wall as the tool is drawn through the casing. Over the last several years the SPR has collected a large number of modern MAC surveys. In total, these surveys account for over 100 million individual measurements. The surveys were collected using differing survey vendors and survey hardware. This has resulted in a collection of disparate data sets which confound attempts to make well-to-well or time-dependent evaluations. In addition, the vendor supplied MAC interpretations often involve variables which are not well defined or which may not be applicable to casings for cavern access wells. These factors reduce the usability of these detailed data sets. In order to address this issue and provide an independent analysis of multi-arm caliper survey data, Sandia National Labs has developed processing techniques and analysis variables which allow for the comparison of MAC survey data regardless of the source of the survey data. These techniques use the raw radial arm information and newly developed analysis variables to assess the casing status and provide a means for well-to-well and time-dependent analyses. Well-to-well and time-dependent investigation of the MAC survey data provide s information to prioritize well remediation activities and identify wells with integrity issues. This paper presents the challenges in using disparate MAC survey data, techniques developed to address these challenges and some of the insights gained from these new techniques.

02 PETROLEUM↗

BEopt-CA (Ex) -- A Tool for Optimal Integration of EE/DR/ES+PV in Existing California Homes. Cooperative Research and Development Final Report, CRADA Number CRD-11-429

Opportunities for combining energy efficiency, demand response, and energy storage with PV are often missed, because the required knowledge and expertise for these different technologies exist in separate organizations or individuals. Furthermore, there is a lack of quantitative tools to optimize energy efficiency, demand response and energy storage with PV, especially for existing buildings. Our goal is to develop a modeling tool, BEopt-CA (Ex), with capabilities to facilitate identification and implementation of a balanced integration of energy efficiency (EE), demand response (DR), and energy storage (ES) with photovoltaics (PV) within the residential retrofit market. To achieve this goal, we will adapt and extend an existing tool -- BEopt -- that is designed to identify optimal combinations of efficiency and PV in new home designs. In addition, we will develop multifamily residential modeling capabilities for use in California, to facilitate integration of distributed solar power into the grid in order to maximize its value to California ratepayers. The project is follow-on research that leverages previous California Solar Initiative RD&D investment in the BEopt software. BEopt facilitates finding the least cost combination of energy efficiency and renewables to support integrated DSM (iDSM) and Zero Net Energy (ZNE) in California residential buildings. However, BEopt is currently focused on modeling single-family houses and does not include satisfactory capabilities for modeling multifamily homes. The project brings BEopt's existing modeling and optimization capabilities to multifamily buildings, including duplexes, triplexes, townhouses, flats, and low-rise apartment buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Validation of pooling strategies of clinical COVID-19 samples for more efficient diagnostic testing

Pooling of COVID-19 clinical samples can offer significant reduction in reagents, time, and labor needed to test large numbers of clinical samples. Especially for testing asymptomatic and return-towork/ school cases, where the prevalence of COVID-19 may be relatively low, large groups of clinical samples can be classified as negative with a single test, with no need to test every sample individually. LANL has performed validation for two different pooling strategies to assess diagnostic assay sensitivity in pooled samples compared to the clinical positive sample alone. (1) Pooling study - Determine diagnostic assay sensitivity in pooled samples with ratios of 1:5, 1:10, 1:20, and 1:30 positive to negative clinical samples. (2) Reloading study - Determine diagnostic assay sensitivity in reloading of multiple clinical samples through a Qiagen column in 5x, 10, and 20x sample volumes (1 positive plus 4, 9, and 19 negative samples).

59 BASIC BIOLOGICAL SCIENCES↗

Final Reports of the 2019 Los Alamos National Laboratory Computational Physics Student Summer Workshop

The Los Alamos National Laboratory Computational Physics Workshop is intended to educate select students in problems of computational physics, while exciting them about problems of particular interest to LANL. The long term goal is to train a cadre of future researchers with strong connections to LANL and both interest and expertise in the problems LANL faces. This year’s workshop ran from June 10 – August 16, 2019 and once again attracted a phenomenal group of students, whose work is presented in the following pages. The students worked with LANL staff mentors in teams of two, doing original research. In addition, they attended a lecture series focusing on both the basics and the cutting edge challenges of computational physics (Table 1). A new item this year was a modification to our Meet LANL series of brown-bag lunch session, moving from focusing on individual researchers to panel presentations from the different groups within XCP. As always, the mentors were drawn from across disciplines and divisions. Projects looked physics ranging from quantum interactions, up to solar system development.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Understanding the solubility of metal salts and supporting electrolytes in Deep Eutectic Solvents [Slides]

Our objective is to determine how alterations in these parameters affect solubility in order to identify the optimal conditions for Zirconium electrodeposition. Create a variety of Deep Eutectic Solvents by combining different combinations and molar ratios of both hydrogen bond donors and hydrogen bond acceptors. Investigate the solubility of different Zirconium metal sources and supporting electrolytes individually, as well as in combination of both. Analyze various parameter conditions including temperature, pH, and conductivity. Determine the optimal composition and parameter setup for Zirconium electrodeposition. Obtain Zirconium coating through various methods and parameter adjustments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Feature Selection Techniques for a Machine Learning Model to Detect Autonomic Dysreflexia

Feature selection plays a crucial role in the development of machine learning algorithms. Understanding the impact of the features on a model, and their physiological relevance can improve the performance. This is particularly helpful in the healthcare domain wherein disease states need to be identified with relatively small quantities of data. Autonomic Dysreflexia (AD) is one such example, wherein mismanagement of this neurological condition could lead to severe consequences for individuals with spinal cord injuries. We explore different methods of feature selection needed to improve the performance of a machine learning model in the detection of the onset of AD. We present different techniques used as well as the ideal metrics using a dataset of thirty-six features extracted from electrocardiograms, skin nerve activity, blood pressure and temperature. The best performing algorithm was a 5-layer neural network with five relevant features, which resulted in 93.4% accuracy in the detection of AD. The techniques in this paper can be applied to a myriad of healthcare datasets allowing forays into deeper exploration and improved machine learning model development. Through critical feature selection, it is possible to design better machine learning algorithms for detection of niche disease states using smaller datasets.

electrocardiography↗

Hierarchical Tactile Sensation Integration from Prosthetic Fingertips Enables Multi-Texture Surface Recognition

Multifunctional flexible tactile sensors could be useful to improve the control of prosthetic hands. To that end, highly stretchable liquid metal tactile sensors (LMS) were designed, manufactured via photolithography, and incorporated into the fingertips of a prosthetic hand. Three novel contributions were made with the LMS. First, individual fingertips were used to distinguish between different speeds of sliding contact with different surfaces. Second, differences in surface textures were reliably detected during sliding contact. Third, the capacity for hierarchical tactile sensor integration was demonstrated by using four LMS signals simultaneously to distinguish between ten complex multi-textured surfaces. Four different machine learning algorithms were compared for their successful classification capabilities: K-nearest neighbor (KNN), support vector machine (SVM), random forest (RF), and neural network (NN). The time-frequency features of the LMSs were extracted to train and test the machine learning algorithms. The NN generally performed the best at the speed and texture detection with a single finger and had a 99.2 ± 0.8% accuracy to distinguish between ten different multi-textured surfaces using four LMSs from four fingers simultaneously. The capability for hierarchical multi-finger tactile sensation integration could be useful to provide a higher level of intelligence for artificial hands.

Abd, Moaed A. (ORCID:0000000284954244)↗

COLD-MODE ACCRETION: DRIVING THE FUNDAMENTAL MASS–METALLICITY RELATION AT z ∼ 2

We investigate the star formation rate (SFR) dependence on the stellar mass and gas-phase metallicity relation at z = 2 with MOSFIRE/Keck as part of the ZFIRE survey. We have identified 117 galaxies (1.98 ≤ z ≤ 2.56), with 8.9 ≤ log( M / M {sub ⊙}) ≤ 11.0, for which we can measure gas-phase metallicities. For the first time, we show a discernible difference between the mass–metallicity relation, using individual galaxies, when dividing the sample by low (<10 M {sub ⊙} yr{sup −1}) and high (>10 M {sub ⊙} yr{sup −1}) SFRs. At fixed mass, low star-forming galaxies tend to have higher metallicity than high star-forming galaxies. Using a few basic assumptions, we further show that the gas masses and metallicities required to produce the fundamental mass–metallicity relation and its intrinsic scatter are consistent with cold-mode accretion predictions obtained from the OWLS hydrodynamical simulations. Our results from both simulations and observations are suggestive that cold-mode accretion is responsible for the fundamental mass–metallicity relation at z = 2 and it demonstrates the direct relationship between cosmological accretion and the fundamental properties of galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

Augmented Kalman filter with a reduced mechanical model to estimate tower loads on a land-based wind turbine: a step towards digital-twin simulations

This article presents an application of the Kalman filtering technique to estimate loads on a wind turbine. The approach combines a mechanical model and a set of measurements to estimate signals that are not available in the measurements, such as wind speed, thrust, tower position, and tower loads. The model is severalfold faster than real time and is intended to be run online, for instance, to evaluate real-time fatigue life consumption of a field turbine using a digital twin, perform condition monitoring, or assess loads for dedicated control strategies. The mechanical model is built using a Rayleigh–Ritz approach and a set of joint coordinates. We present a general method and illustrate it using a 2-degrees-of-freedom (DOF) model of a wind turbine and using rotor speed, generator torque, pitch, and tower-top acceleration as measurement signals. The different components of the model are tested individually. The overall method is evaluated by computing the errors in estimated tower-bottom-equivalent moment from a set of simulations. From this preliminary study, it appears that the tower-bottom-equivalent moment is obtained with about 10 % accuracy. The limitation of the model and the required steps forward are discussed.

17 WIND ENERGY↗

Cooperative Transmission Expansion Planning Experiment Data and Results

GO WEST is an open-source power grid modeling framework for U.S. Western Interconnection, which allows users to tailor the model depending on their research study and science questions. It covers 28 balancing authorities (BA) and 12 states in U.S. Western Interconnection. GO WEST allows users to select different number of nodes and come up with a simplified network by utilizing 10,000 nodal topology of U.S. Western Interconnection created by Texas A&M University. Users can try and select different number of nodes, mathematical formulations (linear programming vs. mixed-integer linear programming), transmission line limit scaling factors, and hurdle rate scaling factors. GO WEST offers a unit commitment and economic dispatch (UC/ED) module to simulate grid operations on an hourly scale. In this sense, users can calibrate and validate their model versions by comparing model outputs to historical datasets. TEP is an open-source transmission capacity expansion model, built on GO WEST framework. It utilizes linear programming to optimize transmission capacity addition investment on existing lines within GO WEST framework. In this sense, TEP model only increases the thermal capacity of existing transmission lines and does not add new lines to the system, which leaves the topology preserved. TEP minimizes the total cost of the system which comprises the operational cost of satisfying electricity demand (i.e., generation cost), cost of loss of load (i.e., unserved energy), cost of power flow, and cost of new transmission capacity additions (i.e., investment cost). In order to use TEP model, users need to create scenarios with GO WEST framework. In this analysis, outputs from several models are used to create future inputs to GO WEST and TEP models, including GCAM-USA, TELL, CERF and reV. This dataset includes experiment inputs and outputs from three different transmission expansion scenarios (cooperative, intermediate, and individual) for 2019 and 2059. For 2019, a base scenario to illustrate the default (i.e., historical) power grid operations is also included. This study utilizes rcp45hotter_ssp3 scenario from a previous version of GCAM-USA simulations. Sources of the shapefiles in supplementary data are HIFLD Open and U.S. Energy Atlas. Please see the README file for a detailed description of the main and supplementary data.

Capacity Expansion Model↗

Gravitational field modes GEM 3 and 4

A refinement in the satellite geopotential solution for a Goddard Earth Model (GEM 3) was obtained. The solution includes the addition of two low inclination satellites, SAS at 3 deg and PEOLE at 15 deg, and is based upon 27 close earth satellites containing some 400,000 observations of electronic, laser, and optical data. In addition, a new combination satellite/gravimetry solution (GEM 4) was derived. The new model includes 61 center of mass tracking station locations with data from GRARR, Laser, MOTS, Baker-Nunn, and NWL Tranet Doppler tracking sites. Improvement was obtained for the zonal coefficients of the new models and is shown by tests on the long period perturbations of the orbits. Individual zonal coefficients agree very closely among different models that contain low inclination satellites. Tests of models with surface gravity data show that the GEM 3 satellite model has significantly better agreement with the gravimetry data than the GEM 1 satellite model, and that it also has better agreement with the gravimetry data than the 1969 SAO Standard Earth 2 model.

Lerch, F. J.↗

Propagation of aircraft noise over long distances through the lower atmosphere

Propagation of sound through the lower atmosphere is influenced by numerous factors which are difficult to measure and more difficult to predict. In addition to the well known laboratory observable loss mechanisms of heat conduction, gas transport, and molecular absorption, inhomogeneities in a real atmosphere have significant influence on a propagating sound wave. This study presents a qualitative discussion of different categories of atmospheric inhomogeneity and their individual and combined effects on sound propagation. Subsequently, a field test involving the propagation of aircraft noise over distances up to 10 miles is described, and a simplified empirical model for 'excess' atmospheric attenuation due to inhomogeneities in the atmosphere is derived from the data.

Abrahamson, A. L.↗

Spacelab science missions of the 1980's

The objectives and instrumentation of Spacelab missions planned for the 1980s are discussed. Initial flights will be multidisciplinary, serving to verify the performance of Spacelab subsystems and to demonstrate the capability of Spacelab to carry out broad-ranging research in a variety of fields. Further missions will use highly specialized payloads. Among these are the Atmospheres, Magnetospheres and Plasmas (AMPS) Payload, the Astronomy Spacelab Payload (ASP), including solar physics, stellar astronomy and high energy astrophysics variants, and the Spacelab Infrared Telescope Facility. The growing inventory of instruments developed for these missions will then be available for use in different combinations to meet the needs of individual mission objectives proposed by the international scientific community.

Chappell, C. R.↗

Simplified methods for calculating photodissociation rates

Simplified methods for calculating the transmission of solar UV radiation and the dissociation coefficients of various molecules are compared. A significant difference sometimes appears in calculations of the individual band, but the total transmission and the total dissociation coefficients integrated over the entire SR (solar radiation) band region agree well between the methods. The ambiguities in the solar flux data affect the calculated dissociation coefficients more strongly than does the method. A simpler method is developed for the purpose of reducing the computation time and computer memory size necessary for storing coefficients of the equations. The new method can reduce the computation time by a factor of more than 3 and the memory size by a factor of more than 50 compared with the Hudson-Mahle method, and yet the result agrees within 10 percent (in most cases much less) with the original Hudson-Mahle results, except for H2O and CO2. A revised method is necessary for these two molecules, whose absorption cross sections change very rapidly over the SR band spectral range.

Shimazaki, T.↗

Controlled flexibility in technical editing - The levels-of-edit concept at JPL

The levels-of-edit concept, which can be used to specify the amount of editorial effort involved in the preparation of a manuscript for publication, is discussed. Nine types of editing are identified and described. These include coordination edit (preparing estimates, gathering cost data, monitoring production processes), policy edit, integrity edit (making sure that parts of a publication match in a physical or numerical sense), screening edit (ensuring that the quality of camera-ready copy is sufficient for external publication), copy clarification edit, format edit, mechanical style edit, language edit, and substantive edit (reviewing the manuscript for content coherence, emphasis, subordination and parallelism). These functions are grouped into five levels of edit. An edit-level number is assigned to each manuscript, providing a quantitative and qualitative indicator of the editing to be done which is clearly understood by authors, managers, and editors alike. In addition, clear boundaries are drawn between normal and extraordinary editing tasks. Individual organizations will group various edits in different ways to reflect their needs and priorities; the essential element of the system is unambiguous definition and coding of the types and amount of work to be done.

Buehler, M. F.↗

Uranus and the shape of elliptical rings

It is reported that when the star SAO158687 passed behind the Uranus system, its light was occulted twice by the epsilon (fifth) ring of the planet. The first part of the ring to occult was about 100 km wide and the second part was about 40 km wide. The variable width of the ring is accounted for by differences in the orbital eccentricities of the individual particles composing the ring.

Lucke, R. L.↗