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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Identifying the quantum properties of hadronic resonances using machine learning

With the great promise of deep learning, discoveries of new particles at the Large Hadron Collider (LHC) may be imminent. Following the discovery of a new Beyond the Standard model particle in an all-hadronic channel, deep learning can also be used to identify its quantum numbers. Convolutional neural networks (CNNs) using jet-images can significantly improve upon existing techniques to identify the quantum chromodynamic (QCD) (‘color’) as well as the spin of a two-prong resonance using its substructure. Additionally, jet-images are useful in determining what information in the jet radiation pattern is useful for classification, which could inspire future taggers. These techniques improve the categorization of new particles and are an important addition to the growing jet substructure toolkit, for searches and measurements at the LHC now and in the future.

Filipek, Jakub↗
DOE OSTI2022

Jets in Evolving Matter within the Opacity Expansion Approach

In a recent study [1] we have extended the opacity expansion approach to describe jet-medium interactions including medium motion effects in the context of heavy-ion collisions. We have computed color field of the in-medium sources, including the effects of the transverse field components and the energy transfer between the medium and jet. The corresponding contributions are sub-eikonal in nature, and were previously ignored in the literature. Here we discuss how our approach can be applied to describe the medium motion effects in the context of Deep Inelastic Scattering.

Sadofyev, Andrey↗
DOE OSTI2022

Single-Logarithmic Corrections to Small-$x$ Helicity Evolution

The small- x x quark helicity evolution equations at double-logarithmic order, with the kernel \sim\alpha_s\ln^2(1/x) ∼ α s ln 2 ( 1 / x ) , have been derived previously. In this work, we derive the single-logarithmic corrections to the equations, to order \alpha_s\ln(1/x) α s ln ( 1 / x ) of the evolution kernel. The new equations include the effects of the running coupling and the unpolarized small- x x evolution, both of which are parametrically significant at single-logarithmic order. The large- N_c N c and large- N_c\ N_f N c N f approximations to the equation are computed. (Here, N_c N c and N_f N f are the numbers of quark colors and flavors, respectively.) Their solutions will provide more precise estimates of the quark helicity distribution at small x x , contributing to the resolution of the proton spin puzzle.

Tawabutr, Yossathorn↗
DOE OSTI2022

Gluon saturation in proton and its contribution to single inclusive soft gluon production in high energy proton-nucleus collisions

The leading order single inclusive soft gluon production in high energy proton-nucleus (pA) collisions has been studied by various approaches for more than two decades. The first correction due to the gluon saturation in proton was analytically attempted recently through a diagrammatic approach in which only partial results were obtained. An important feature of the first saturation correction is that it includes both initial state and final state interactions. In this paper, we present the complete result derived from the Color Glass Condensate framework. Our approach is to analytically solve the classical Yang-Mills equations in the dilute-dense regime and then use the Lehmann-Symanzik-Zimmermann (LSZ) reduction formula to obtain gluon production from classical gluon fields.

Li, Ming↗
DOE OSTI2020

Luminescent Enhancement for Combined Solar and Commercial Agriculture. Final Report

This proposal will develop a new racking / mounting system combined with a new agriculture-tuned luminescent solar panel for low cost high tunnel implementation to produce both crops and electricity for small local farms. Crop trials performed under this specialized panel/racking system can be extended to open field agriculture with standard utility scale racking system in phase II. The US agricultural industry uses about 300 billion KW-hr of energy / year. Of this energy consumption, roughly 20% goes towards food production and 20% goes towards food processing. This proposal will allow farm land to simultaneously generate electricity, food AND provide jobs. Employment is one of the largest hurdles for the introduction of solar into rural areas. The ability to provide agricultural jobs in addition to solar energy from a plot of land will pave the way for greater adoption of photovoltaics in rural areas. A cost effective and highly durable hybrid power generating high tunnel greenhouse will be developed that generates electricity at less than $2.50/watt INSTALLED cost and can be used for crop production of high values crops. The high tunnel will use a new design of Soliculture greenhouse integrated luminescent solar panels to selectively absorb the green portion of the solar spectrum that is not used by plants and convert the light to red light with higher photosynthetic efficiency and to enhance power output of solar cells. Green light is selectively downshifted to red light using luminescent materials that match the photosythetically active region for plants and the efficiency maximum of Si photovoltaic cells. The color tuning associated with converting green light to red light has been shown to facilitate fruit production in commercial greenhouses growing cucumbers, lettuce and herbs.

14 SOLAR ENERGY↗
DOE OSTI2020

The Dark Energy Spectrographic Instrument (DESI) Optical Fiber System

The specific research of the DESI project is to study in detail the expansion history of the Universe over the past 10 billion years. In order to do this, the project designed, fabricated, tested and commissioned the DESI instrument which has been deployed at the Mayall Telescope at the Kitt Peak National Observatory near Tucson, Arizona. The DESI project was conducted by approximately 30 US and foreign national laboratories. The complete instrument includes a prime focus corrector assembly, a focal plane with 5,000 optical fibers whose position can be set by robotic positioners, and ten spectrographs. Each spectrograph can accommodate the light from 500 fibers and include three color channels that are illuminated by a common collimator mirror and other planar transfer optics. In order for this entire system to work, optical fibers are required to connect each positioner to the spectrographs. Our CRADA with Durham University in the UK provided the 10 crucial fiber cables required to connect the DESI focal plane to the 10 spectrographs. The key major goals of this CRADA were achieved. Survey planning was another key component to the Durham contribution. Drs. Frenk, Baugh, Cole, Edge, Lacey, Li, Lucey, Massey, Metcalfe, Norberg and Shanks were all important contributors to the working groups to which they were assigned. Their work to implement emission lines and QSO in lightcone mocks, mocks for non-standard cosmologies/modified gravity, optimization of completeness of BGS in crowded regions and extended source photometry have been vital in the early planning for targets during commissioning. The major role in the project involved Dr. Ray Sharples and his team. They provided a significant portion of the design, fabrication and testing of the optical fiber system. In particular, they were responsible for the design, production of engineering drawings, component procurements, and fabrication of the 10 DESI Science fiber cables. Working in close collaboration with Dr. Claire Poppett, they also designed and fabricated the slit assemblies, the specialized termination of the groups of 500 fibers which plug into the spectrographs.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Thin Film Hydrogen Sensor Development, Testing and Integration Into Low Cost Wireless Sensing Systems (SBIR Phase 1 Final Report)

Element One, Inc. is reporting on the results of its DOE SBIR Phase I project for the development and testing of low-cost thin film hydrogen sensors and their subsequent integration into wireless sensing systems and networks. This work is based on Element One’s chemo-chromic sensing technology which indicates hydrogen presence (leaks) colorimetrically and electronically with no power required. The lack of required power makes them particularly suitable for passive Radio Frequency Identification Device (RFID) technology which can be deployed affordably and abundantly to detect leaks in hazardous environments. Element One built upon its experience with chemochromic materials that change color in the presence of hydrogen. Both thin films and pigments have been used, but thin films have the ability to change conductivity by more than three orders of magnitude making them ideal for resistive sensors. Prototype sensors were fabricated, tested and characterized. For the wireless component, Element One partnered with Esensor, Inc. to construct and test a wireless sensing network. The network was tested and validated at the National Renewable Energy Laboratory (NREL) in February and March. The tests involved exposing the wireless system to hydrogen gas concentrations of 1% and 5%. There were no significant problems encountered, and the system is ready for commercial development. The system demonstrated the viability of wireless hydrogen sensing networks for hydrogen leak detection and other applications.

08 HYDROGEN↗
DOE OSTI2020

Production of Biocrude in an Advanced Photobioreactor-Based Biorefinery

Algenol Biotech, the National Renewable Energy Laboratory (NREL), Georgia Institute of Technology, Arizona State University, and Reliance Industries formed a team to advance the state of the art in algal biomass production and downstream processing technologies, with the end goal of a sustainable, economically viable biofuel intermediate (BFI, biocrude) product. The project included examination of high value co-product production as a market entry strategy and for enhancing the economics of a biorefinery for BFI production. The project targeted innovations in biology, operations, and engineering. The goals of the project were: BFI productivity greater than 4,000 gal-BFI/acre-yr on an annualized basis; energy efficient innovations in downstream operations resulting in an energy expenditure less than 10% of the BFI energy content and a carbon footprint reduction of more than 60% compared to fossil alternatives; and a comprehensive Techno-Economic Analysis (TEA) that identifies limiting factors for commercial viability of a photobioreactor (PBR)-based biofuel product. The project achieved the overall objectives. Strain development efforts led to the identification of a strain (Cyanobacterium sp. AB1166) that, relative to the previous best strain (Cyanobacterium sp. AB1), exhibited a ~10% increase in productivity under commercially-relevant cultivation conditions and also resulted in cultures with a >50% reduction in viscosity such that harvesting efficiency was improved; these results represent achievement of key project milestones. Progress was also made at NREL in altering the biochemical composition of algal biomass to improve the yield of BFI produced via HTL. These strain enhancements coupled with improved outdoor cultivation practices, including semi-continuous operation, increased areal biomass productivity by nearly 80% over the established baseline productivity. The annualized productivity achieved (26.8 g/m2-d), paired with HTL conversion yields realized at NREL and RIL (38% ± 2% BFI), translates to 4,100 gal-BFI/acre-yr, exceeding the FY20 BETO goal of 3,700 gal-BFI/acre-yr. Significant progress was also demonstrated in large scale PBR-based production system design, operability, and cost reduction. A 24,000-L production module comprised of 240 interlinked PBRs was constructed and successfully operated outdoors for over one year in Fort Myers, Florida. Aided by a state-of-the-art productivity model, the productivities achieved convincingly demonstrated scalability of laboratory results determined at the mL to L scale to large-scale outdoor operations exceeding 20,000 L. The system was used to cultivate Arthrospira platensis (Spirulina), an industrially-relevant cyanobacterium and source for phycocyanin, an approved blue food colorant that Algenol is developing as a risk reduction strategy for future biofuel projects and as a potential business opportunity. A key project milestone to develop phycocyanin extraction and purification technologies was achieved ahead of schedule, and product samples received positive feedback from potential customers. The production and downstream operations data generated in this project were used to conduct and refine Techno-Economic and Life Cycle Assessments to provide research guidance for reducing the costs and environmental footprint of algal biofuel and co-product manufacturing plants. Several CO 2 supply scenarios for an algal biorefinery were identified as being capable of providing a large (>60%) reduction in carbon footprint in comparison to gasoline. The TEA assessments incorporated detailed comparisons of PBR versus open pond production systems, yielding a 3-fold higher areal productivity for PBRs and suggesting overall production cost parity for the two systems. The progress in this ABY2 project addressed many of the the barriers identified for the Advanced Algal Systems R&D Program and are directly relevant to achieving the established BETO goals associated with large scale biofuel production and cost reduction.

09 BIOMASS FUELS↗
DOE OSTI2020

GEMINI Case Study

Sandia's GEMINI-Scout Mine Rescue Robot is an unmanned ground vehicle designed to enter potentially hazardous environments to explore, assess, and evaluate dangerous situations first responders may face when conducting a rescue mission. GEMINI is approximately four feet long and two feet tall, which enables the robot to maneuver through small locations on rough terrains caused by earthquakes, fires, or radiological incidents. GEMINI uses track propulsion to climb stairs, travel through gravel and sand pits, pivot in place, and traverse 45-degree climbs with few problems. Furthermore, the vehicle's dual tracked-chassis design allows it to operate in hostile, dark, muddy, high-temperature, and explosive debris-strewn environments, while maintaining efficient ground mobility. The mobility and modularity of the vehicle allow for easy integration of sensors to conduct gas and temperature sensing and offers pan/tilt, zoom color, and thermal camera video streaming capabilities. The vehicle is also able to carry a payload of about 50 pounds of batteries and can handle an additional 200 pounds of payload, whether for additional diagnostics, supplies, or clothing for those trapped in an effected area. GEMINI is remotely operated through a wireless connection and an onboard computer running a customized embedded control application, which directly communicates to all onboard components except for the audio and video systems. When line of sight is not possible, operators use a shockresistant fiber optic cable to ensure continuous functionality of the vehicle. This allows for direct local control of the vehicle, which streams collected data back to the operator for enhanced situational awareness. In addition, the vehicle incorporates safety features such as explosion proof housing to ensure safe electronic operations in hazardous gas or flooded environments; a four-channel video link and two-way audio to ensure located survivors can communicate with operators; and an MSHA-approved multi-gas sensor to monitor air quality.

42 ENGINEERING↗
DOE OSTI2020

Investigation of Superluminescent Diodes for Smart Lighting Systems. Final Report

The solid-state lighting ecosystem has evolved very rapidly over the last few years, with significant improvements in the technical performance of light-emitting diodes (LEDs) and the commoditization of LED-based lighting fixtures. As the performance of conventional lighting products begins to saturate, there is growing market interest in “Lighting as a Service” applications that will leverage advanced systems to impart new functionalities to lighting and improve energy efficiency, human health, and productivity. These “Smart Lighting” systems will include high-performance light sources, specialized sensors, and dynamic controls to deliver high quality, energy efficient, color tunable lighting with customized spatial light delivery and integrated visible light communication capability. To achieve these capabilities, smart lighting systems will place greater demands on the performance of light sources. Highly efficient sources with additional functionalities compared to conventional LEDs, such as small form factor, large modulation bandwidth, and spatially coherent output beams, will be required. While laser diodes have been proposed as potential sources for smart lighting systems, they also exhibit several properties that pose challenges, such as temporal coherence, extremely high spatial coherence, and ultra-narrow linewidths. To address these issues, we propose an investigation of an alternative device architecture known as a superluminescent diode (SLD). SLDs are similar in form to ridge laser diodes and share many of the same characteristics, such as stimulated emission operation, spatially coherent output, small form factor, and the potential for large modulation bandwidth. However, the operating principle for SLDs is distinct from laser diodes in that SLDs lack a strong cavity feedback mechanism, resulting in spatially coherent but temporally incoherent light output. Thus, SLDs may address the issues with laser diodes for lighting, while simultaneously maintaining some of the desirable characteristics of both laser diodes and LEDs. The objectives of this proposal are to design, grow, and fabricate blue (450 nm) SLDs on polar c-plane and nonpolar m-plane free-standing GaN substrates, and to evaluate their potential as sources in smart lighting systems through basic device characterization and detailed investigations of their efficiency droop and modulation bandwidth. The primary scientific aims of this work are to understand the fundamental role of optical gain in the superluminescent (non-lasing) regime on efficiency droop and modulation bandwidth in III-nitride emitters and to understand the effects of higher optical gain on SLD performance by comparing polar c-plane and nonpolar m-plane SLDs. The University of New Mexico (UNM) will collaborate with Sandia National Laboratories (SNL) and the Center for Integrated Nanotechnologies to design, fabricate, grow, and characterize the SLDs. UNM will perform the design and epitaxial growth, while SNL will focus on the fabrication and device characterization. The novelty of the proposed work includes the first comprehensive theoretical and experimental investigations of efficiency droop and the first investigation of modulation bandwidth in GaN-based emitters operating in the superluminescent regime. Moreover, the comparison of c-plane and m-plane SLDs will enable the first analysis of the effects of higher optical gain on the device performance. The development of high-performance GaN-based SLDs may enable efficiency gains and improved functionality in next-generation smart lighting systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Mixed Material Scintillator Systems Particle ID Modelling Report

AMixed-Material Scintillator System (MMSS) is a radiation detector using a scintillator made of a heterogeneous, structured mixture of two or more materials. MMSSs are designed so that the structured mixing of materials encodes properties of the radiation detected in the scintillator. This allows for new radiation detectors with advantages over detectors using traditional homogeneous scintillators. This report contains results from this project’s second task, to model and quantify the promise of the MMSSs invented earlier in the project. Those inventions have been divided into two categories, and this report focuses on the first category: MMSS inventions the use zones of differently-colored scintillators to detect and characterize neutron sources. We call this category particle-ID, or PID, detectors. Inventions using gradients designed to encode the position of radiation interactions using gradients will be discussed in a future report.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Laser Plasma Interaction in the MG Magnetic Field (Final Report)

Strong magnetic fields change properties of plasma. Employment of the magnetic fields can improve conditions for inertial confinement fusion. Compression and heating of the magnetized plasma is a base of the MagLIF pulsed power approach to the controlled fusion. Study of expansion and heating of plasma in the external magnetic fields, development of plasma instabilities, parametric and other effects are important for basic physics and applications. The main goal of the research for the grant was experimental investigation of laser produced plasma in the well characterized and controlled MG magnetic fields. We developed a platform for investigation of high intensity laser-plasma interaction (LPI) in the MG fields using a university-scale pulsed power machine. A Zebra machine at UNR generated transverse magnetic fields of 3 MG on the surface of the rod load and longitudinal fields of 1.4 MG in the coil loads. The magnetic fields were characterized with two-color Faraday rotation diagnostics. The pulsed power machine provided almost static magnetic fields for LPI compared to the much faster laser driven magnetic fields. We found that eddy currents in the rising magnetic field generate plasma on the metal targets. Eddy currents did not impact Si and CH dielectric targets. A Leopard laser with intensity in the focus up to 10 19 W/cm 2 produced plasma in the MG magnetic fields. The modified reflected Faraday diagnostics was used to study laser driven B-field at the MTW laser at Laboratory for Laser Energetics, UR. We demonstrated a slow dependence of the magnetic field in the coil on the applied laser intensity. The magnetic field increased by a factor of 2 if laser intensity increased by a factor of 30. This scaling is important for comparison of experiments at different laser facilities. Expansion of the plasma in the 2-3 MG external B-field was studied. Laser-produced plasma in the azimuthal magnetic field took the unique form of a thin disc expanding radially with a velocity of 250 km/s and confined in the vertical direction. A HYDRA MHD program at the University of Rochester was applied for simulations of LPI in the magnetic field B >3 MG. Simulations for the plasma disc parameters and the expansion dynamics were in a good agreement with experiments. Generation of narrow dense plasma jets in the longitudinal magnetic field of 0.6-0.8 MG was studied. Narrow plasma jets reached a length of 3-4 mm with the electron plasma density of (0.2-1.2)x10 20 cm -3 . A jet tip propagated with the velocity of 160-200 km/s. MHD simulations showed a good agreement of the dynamics of the formation of plasma jets with experiments. These jets are relevant to astrophysical jets. Simulations of K-shell spectra of Si plasma was performed for LPI in the B-field. The laser prepulse generated plasma near the laser target. A PrismSPECT model with a MeV electron beam produced by the laser was used. The spectral modelling showed the increased plasma density by a factor by 2-3 in the magnetic field. This was in agreement with the observed dynamics of the plasma plume confined by the axial magnetic field. The two-plasmon decay was studied in the 2.5-3 MG transversal magnetic fields. Strong 2-3.5 nm spectral widening and a 2-4 nm shifts of “red” and “blue” 3/2ω 0 spectral components were observed. The large shift and widening exceed the expected temperature and magnetic shift. PIC simulations are performing to clarify physics of this effect. The experimental research program for the grant is completed. New plasma effects in the MG fields were studied at the university-scale pulsed power generator. Two graduate and two undergraduate UNR and UR students carried experiments at the Zebra generator, supported and developed plasma diagnostics, provided data processing, and performed MHD simulations of LPI in the strong magnetic field. Research results are published in 9 referred papers and presented in 12 conferences. Program manager: Kramer U. Akli; Collaborators: R. C. Mancini and H. Sawada, University of Nevada, Reno (UNR); R. Betti and A. V. Maximov, University of Rochester (UR).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Process Image Analysis using Big Data, Machine Learning, and Computer Vision

The development of algorithms for machine learning and data analysis for the 3013 MIS corrosion surveillance program is a collaborative effort by SRNL, USC and GT. For corrosion detection, LCM image data is extracted from large binary files, with software written to convert the data to physical attributes (i.e. height, color and grayscale values; all as functions of a location in a plane projection). The user interface for the software permits selective downloading of binary data and interrogation of attributes. User input thresholds are used to flag attributes of interest. Machine learning algorithms, developed for this application, are used to determine whether the features are the result of corrosion. To address the fundamental mechanisms of corrosion, machine learning algorithms are being developed to derive interatomic potential force-fields from ab-initio DFT calculations. The goal is to apply molecular modeling on a large enough scale to guide the design of resistant materials.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Play Fairway Analysis: Structurally Controlled Geothermal Systems in the Eastern Great Basin Extensional Regime, Utah

A research team with membership from the University of Utah/Energy & Geoscience Institute, the University of Utah/Dept. of Geology & Geophysics, and the Utah Geological Survey, undertook a play fairway analysis (PFA) for geothermal resources in the Eastern Great Basin (EGB) extensional tectonic regime of western Utah. This is a high-priority region for geothermal exploration because active Basin and Range (B&R) extension with volcanism having a N-S strike is superimposed upon pre-existing E-W belts of plutonic rocks and large-scale structural lineaments. Cumulative heat flow along the N-S strike of the state totals approximately 5 GWt above background stable interior. Three electricity producing power plants currently exist with substantial potential for increase. Succinctly, our PFA approach aims to resolve potential sources of heat and permeability in the region, which are the two principal criteria for establishing a geothermal resource. An initial Phase 1 was carried out using only existing geoscientific data in the area. Criteria selected for focusing heat potential include direct heat flow measurements in boreholes, magnetotelluric (MT) low resistivity anomalies, fluid/gas geochemistry, and proximity to recent volcanic eruptions. Permeability is established through geological structures (fault density, critically stressed areas, seismicity, gravity), and MT low resistivity anomalies. In Phase II of this PFA project, additional geological, geophysical and geochemical data were acquired and analysis carried out primarily over promising composite common risk (CCR) areas initially identified in Phase I in order to focus prospectivity and prepare for drilling recommendations. These prospects are near the Twin Peaks rhyolite field, high heat flow areas north of the producing Cove Fort system, and geophysical structure beneath the Crater Knoll area off the northeast flank of the Mineral Mountains. Additional data included MT site fill-in, structural mapping and analysis using high-resolution imagery, gravity and on-ground mapping, Nodal 3C passive seismic collection, and passive 3He surveying. Heat source and permeability potential are again expressed in terms of their individual common risk segment (CRS) maps, with a color scheme using green for most favorable (low risk) and red for least favorable (high risk). Diverse data types are united through the technique of probability kriging, which establishes prospectivity thresholds for each data type and then computes probability of exceeding that threshold over the PFA area. Modified CRS and CCRS maps are compared to those of Phase I to highlight tighter prospectivity focus. In doing so, the prospectivity threshold for heat was increased significantly to narrow the targeting. In the final Phase III of this project where a recommended deep thermal gradient hole was sited, additional geophysical, geochemical and geological field collection and analysis was carried out to refine drill hole targeting. This includes prospect-scale MT, gravity, structure, passive seismic deployment (Cove Fort area), and detailed 3He isotope profiling. It was the recommendation of the DOE Technical Monitoring Team (TMT) that one or more holes be sited in the north-ern Cove Fort area where legacy TG gradient holes showed high cumulative heat flow. These were to be of moderate depth, 2000-3000 feet, to reach the geothermal fluid table expected to start in excess of 1000 feet depth. The drilling organization stipulated by the DOE/GTO was that of the USGS Research Drilling Program (RDP) centered in Las Vegas, NV. A detailed well plan, appended to this report, was developed principally by Dr. Ben Barker consulting to University of Utah, Dr. Steve Pye on the DOE TMT, Mr. Steven Crawford of the USGS-RDP, and the project PI Phil Wannamaker. However, temperature and possible H 2 S at the systems lead to cancellation of the drilling last-minute as this appeared outside the experience base of the USGS-RDP. We hope to have the opportunity to revisit the test drilling and expand the Play Fairway Analysis of this region at some point in the future.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

SRNL Analysis of ICCWR LCM and WAMS data for Corrosion and Cracking (FY2020 Progress Report)

The development of algorithms for machine learning and data analysis for the 3013 Surveillance Program is a collaborative effort by the Savannah River National Laboratory (SRNL) and the University of South Carolina (USC). For corrosion detection, Laser Confocal Microscope (LCM) or Wide Area 3D Measurement System (WAMS) data is extracted from large binary files, with software written to convert the data to physical attributes (e.g. height, color and grayscale values; all as functions of a location in a plane projection). It is the objective of this project to produce a user-friendly interface that incorporated all operations needed to perform surface examination. For this reason, a Matlab-based Graphical User Interface (GUI) was created to integrate data input with software developed for processing and evaluation. In summary, the GUI permits selective downloading of binary data, interrogation of attributes, data labeling, flagging of significant features, execution of Machine Learning (ML) algorithms, output of parameters for trained ML algorithms, reports of ML model accuracy with respect to labeled data, and generation of graphical representations of various analyses.

3013 corrosion↗
DOE OSTI2020

iClick Synthesis of Metallopolymers and Highly Emissive Materials

This project involves the exploitation of iClick (Inorganic Click) to link two or more metal ions. The novel cycloaddition between a metal-azide and a metal-acetylide developed at UF provides an opportunity to prepare materials that were previously unimaginable. Further developing the synthetic methodology of iClick will open new frontiers for materials synthesis. Three specific goals are outlined in the project: 1) investigate the chemistry of iClick and its application to linking metal ions, 2) develop a method to dynamically tune the emission color of soluble gold-oligomers, and 3) exploit iClick synthesis to develop new conjugated Pt- and Ru-metallopolymers. Metallopolymers are on the cusp of revolutionizing the energy sector, information storage, and materials synthesis. Uniquely, transition metal chemistry marries polymer science in these hybrid materials wherein the metal ion imparts new properties unimaginable for organic polymers alone.

36 MATERIALS SCIENCE↗
DOE OSTI2020

PORFLOW modeling of Vadose zone flow and transport for the E-area intermediate level vault

In support of the E-Area Performance Assessment, a two-dimensional model of water flow and radionuclide transport through the E-Area Intermediate Level Vault (ILV) and local vadose zone has been developed using the PORFLOWTM software. The purpose of the model is to calculate flux to the water table for radionuclides eluted from the ILV during its operational life, the period of institutional control, and times following site closure. Results of model calculations will be used by a three-dimensional PORFLOW model of transport through the aquifer to determine radionuclide concentrations at a hypothetical 100 meter well and at the site boundary where contaminated groundwater could be assessed by members of the public following site closure. While newly developed, the model structure closely follows that used in the 2008 PA while incorporating a refined computational mesh, updated material properties for the vadose zone soil and vault concrete, revised infiltration rates, and new solid-liquid distribution coefficients. The model also addresses degradation of concrete hydraulic properties by blending soil and concrete water retention curves over a 500 year period. That is, the hydraulic properties of ILV concrete start out as fresh concrete at the time of site closure and degrade to soil properties over a 500 year time period. This approach has not been used previously in E-Area PA’s. The model has been used to calculate water flow through the ILV vadose zone and, on a trial basis, transport of a limited number of radionuclides from the waste region inside the ILV to the water table. Figure ES-1 provides a view of the model and an example of water flow after the concrete has substantially degraded. Figure dimensions are in centimeters. The red area in the left hand side figure is the waste disposal region within the ILV. Colored bands in the figures indicate different soil and concrete regions. Figure ES-2 shows a calculation of flux to the water table (mol/yr) for U-234 and its one-year half-life decay chain (U-234 → Th-230 → Ra-226 → Pb-210). Pb-210 flux is too small to show on the same scale used for Th-230 and Ra-226 in Figure ES-2. The model has also been used to make a preliminary evaluation of the release of tritium from TPBAR disposal containers that will be place in the ILV. A separately calculated tritium release rate as a function of time was used as a source in the PORFLOW model. The TPBAR disposal schedule and tritium release rate differ from the values used in the 2008 PA. Results from these initial trial runs are compared to calculations made for the 2008 PA ILV analysis. In brief, a new PORFLOW model of flow and transport through the ILV vadose zone has been developed and tested. The model is ready to be used for PA calculations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Reflectin: Protein Driver of Dynamically Tunable Biophotonics; New Paradigm for Tunably Reconfigurable Materials

We discovered that the reflectins, with architecture and sequences unlike those of any other proteins known, exhibit a novel interplay between signal-controlled nucleation and growth of dynamically arrested liquid-liquid phase-segregated assemblies that uniquely enables the continuous and precise fine-tuning of physical properties governing the color and brightness of light reflected from the membrane-enclosed nanostructures that contain them. Our research included high-resolution structural analyses conducted at the DOE-BES user facilities of the Stanford Synchrotron Light Source and LBL National Laboratory’s Molecular Foundry, leveraging their capabilities for time-resolved SAXS and cryo-TEM with our ongoing genetic engineering, biophysical and computational analyses to identify the structural determinants and mechanisms governing the dynamic behaviors of the reflectins. We augmented these methods with EPR analyses that revealed for the first time the existence of a specific pathway of reflectin assembly. Using dynamic light scattering and continuously monitored circular dichroism and Raman microscopy, we elucidated the progression of structural changes underlying the mechanisms of signal-induced condensation, folding, assembly, liquefaction, dynamic arrest, regulation and reversal.

59 BASIC BIOLOGICAL SCIENCES↗