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All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A Conceptual Architecture for National Biosurveillance: Moving Beyond Situational Awareness to Enable Digital Detection of Emerging Threats

Despite numerous calls for improvement, the U.S. biosurveillance enterprise remains a patchwork of uncoordinated systems that fail to take advantage of the rapid progress in information processing, communication, and analytics made in the past decade. By synthesizing components from the extensive biosurveillance literature, we propose a conceptual framework for a national biosurveillance architecture and provide suggestions for implementation. The framework differs from the current federal biosurveillance development pathway in that it is not focused on systems useful for “situational awareness,” but is instead focused on the long-term goal of having true warning capabilities. Therefore, a guiding design objective is the ability to digitally detect emerging threats that span jurisdictional boundaries, because attempting to solve the most challenging biosurveillance problem first provides the strongest foundation to meet simpler surveillance objectives. Core components of the vision are: (1) a whole-of-government approach to support currently disparate federal surveillance efforts that have a common data need, including those for food safety, vaccine and medical product safety, and infectious disease surveillance; (2) an information architecture that enables secure, national access to electronic health records, yet does not require that data be sent to a centralized location for surveillance analysis; (3) an inference architecture that leverages advances in ‘big data’ analytics and learning inference engines—a significant departure from the statistical process control paradigm that underpins nearly all current syndromic surveillance systems; and, (4) an organizational architecture with a governance model aimed at establishing national biosurveillance as a critical part of the U.S. national infrastructure. Although it will take many years to implement, and a national campaign of education and debate to acquire public buy-in for such a comprehensive system, the potential benefits warrant increased consideration within the U.S. government.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2023

Modelling populations of kilonovae

Abstract The 2017 detection of a kilonova coincident with gravitational-wave emission has identified neutron star mergers as the major source of the heaviest elements and dramatically constrained alternative theories of gravity. Observing a population of such sources has the potential to transform cosmology, nuclear physics, and astrophysics. However, with only one confident multi-messenger detection currently available, modelling the diversity of signals expected from such a population requires improved theoretical understanding. In particular, models that are quick to evaluate and are calibrated with more detailed multi-physics simulations are needed to design observational strategies for kilonovae detection and to obtain rapid-response interpretations of new observations. We use grey-opacity models to construct populations of kilonovae, spanning ejecta parameters predicted by numerical simulations. Our modelling focuses on wavelengths relevant for upcoming optical surveys, such as the Rubin Observatory Legacy Survey of Space and Time (LSST). In these simulations, we implement heating rates that are based on nuclear reaction network calculations. We create a Gaussian-process emulator for kilonova grey opacities, calibrated with detailed radiative transfer simulations. Using recent fits to numerical relativity simulations, we predict how the ejecta parameters from binary neutron star (BNS) mergers shape the population of kilonovae, accounting for the viewing-angle dependence. Our simulated population of BNS mergers produce peak i-band absolute magnitudes of −20 ≤ Mi ≤ −11. A comparison with detailed radiative transfer calculations indicates that further improvements are needed to accurately reproduce spectral shapes over the full light curve evolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Toward G protein-coupled receptor structure-based drug design using X-ray lasers

Rational structure-based drug design (SBDD) relies on the availability of a large number of co-crystal structures to map the ligand-binding pocket of the target protein and use this information for lead-compound optimization via an iterative process. While SBDD has proven successful for many drug-discovery projects, its application to G protein-coupled receptors (GPCRs) has been limited owing to extreme difficulties with their crystallization. Here, a method is presented for the rapid determination of multiple co-crystal structures for a target GPCR in complex with various ligands, taking advantage of the serial femtosecond crystallography approach, which obviates the need for large crystals and requires only submilligram quantities of purified protein. The method was applied to the human β 2 -adrenergic receptor, resulting in eight room-temperature co-crystal structures with six different ligands, including previously unreported structures with carvedilol and propranolol. The generality of the proposed method was tested with three other receptors. This approach has the potential to enable SBDD for GPCRs and other difficult-to-crystallize membrane proteins.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Enabling Low-Overhead HT-HPC Workflows at Extreme Scale using GNU Parallel

GNU Parallel is a versatile and powerful tool for process parallelization widely used in scientific computing. This paper demonstrates its effective application in high-performance computing (HPC) environments, particularly focusing on its scalability and efficiency in executing large-scale high-throughput high-performance computing (HT-HPC) workflows. Through real-world examples, we highlight GNU Parallel’s performance across various HPC workloads, including GPU computing, container-based workloads, and node-local NVMe storage. Our results on two leading supercomputers, OLCF’s Frontier and NERSC’s Perlmutter, showcase GNU Parallel’s rapid process dispatching ability and its capacity to maintain low overhead even at extreme scales. We explore GNU Parallel’s application in massive parallel file transfers using a scheduled Data Transfer Node (DTN) cluster, emphasizing its broad utility in diverse scientific workflows. Beyond its direct application as a viable workflow manager, GNU Parallel can be employed in conjunction with other workflow systems as a "last-mile" parallelizing driver and as a quick prototyping tool to design and extract parallel profiles from application executions. We then argue that the potential for GNU Parallel to transform workflow management at extreme scales is substantial, paving the way for more efficient and effective scientific discoveries.

Maheshwari, Ketan↗
DOE OSTI2025

Even Higher-Level Synthesis: An Exploration of AI Hardware Accelerators using HLS4ML

With the rise of artificial intelligence, the popularization of deep learning, and a constantly evolving industry, the demand for flexible and efficient tools has never been greater. As algorithms grow more complex, their runtime and energy consumption increase exponentially. Customized hardware accelerators, long used for specific mathematical operations, remain essential for managing modern applications' computational and power demands. Hardware accelerators can speed up complex computations by orders of magnitude, but their manual design and verification processes are often challenging and time-consuming. High-Level Synthesis (HLS) provides a solution by transforming high-level algorithm descriptions, typically written in C++ or SystemC, into synthesizable RTL suitable for hardware implementation. This approach reduces development time for RTL engineers while offering flexibility beyond what traditional handwritten RTL can provide. We extended this capability to the machine-learning domain with the open-source framework hls4ml, which allows neural networks trained in Python frameworks like Tensorflow or PyTorch to be synthesized into efficient hardware representations for the traditional FPGA and ASIC flows. This breakthrough addresses the growing need for reduced design turnaround and easy verification of ML hardware accelerators with low latency and power efficiency constraints. During this tutorial, we will demonstrate how Python complements HLS by simplifying the ML design process, bridging the gap between software and hardware development. Attendees will explore how we translate neural networks modeled in Python into fixed-point C++ models suitable for HLS workflows. We will dive into strategies like Value-Range Analysis and Quantization-Aware Training, which optimize these designs for deployment and evaluate their accuracy, power consumption, and energy efficiency. To exemplify these concepts, experts from Fermilab will share their experiences applying this technology to high-energy physics experiments, where real-time, low-latency processing is critical. Over the years, Fermilab engineers have demonstrated how deep neural networks, optimized for hardware using hls4ml, can meet the stringent requirements of trigger systems at the CERN Large Hadron Collider. These systems rely on rapid decision-making to process immense data volumes while retaining only the most relevant events for further analysis. The application of hls4ml has also been extended to innovative technologies like smart pixel arrays. These smart pixels integrate ML inference capabilities directly into sensor devices, enabling localized data processing at the pixel level. This approach drastically reduces the need to transmit raw data to external processing units, significantly decreasing power consumption and latency. By embedding neural networks within the pixel architecture, the smart pixels can identify and prioritize relevant data in real time, providing a highly efficient solution for edge computing in scenarios such as particle detectors and imaging systems. Fermilab's work highlights the potential of hardware-accelerated ML in scenarios where both speed and power efficiency are mission-critical. Through this tutorial, attendees will gain valuable insights into the challenges and solutions of deploying ML in hardware. Understanding how HLS and hls4ml streamline the development of neural network-based hardware accelerators is fundamental for the industry's future. Participants will learn how these technologies are shaping the future of AI and scientific computing.

Di Guglielmo, Giuseppe [Fermilab]↗
NASA NTRS1998

LSPRAY: Lagrangian Spray Solver for Applications With Parallel Computing and Unstructured Gas-Phase Flow Solvers

Sprays occur in a wide variety of industrial and power applications and in the processing of materials. A liquid spray is a phase flow with a gas as the continuous phase and a liquid as the dispersed phase (in the form of droplets or ligaments). Interactions between the two phases, which are coupled through exchanges of mass, momentum, and energy, can occur in different ways at different times and locations involving various thermal, mass, and fluid dynamic factors. An understanding of the flow, combustion, and thermal properties of a rapidly vaporizing spray requires careful modeling of the rate-controlling processes associated with the spray's turbulent transport, mixing, chemical kinetics, evaporation, and spreading rates, as well as other phenomena. In an attempt to advance the state-of-the-art in multidimensional numerical methods, we at the NASA Lewis Research Center extended our previous work on sprays to unstructured grids and parallel computing. LSPRAY, which was developed by M.S. Raju of Nyma, Inc., is designed to be massively parallel and could easily be coupled with any existing gas-phase flow and/or Monte Carlo probability density function (PDF) solver. The LSPRAY solver accommodates the use of an unstructured mesh with mixed triangular, quadrilateral, and/or tetrahedral elements in the gas-phase solvers. It is used specifically for fuel sprays within gas turbine combustors, but it has many other uses. The spray model used in LSPRAY provided favorable results when applied to stratified-charge rotary combustion (Wankel) engines and several other confined and unconfined spray flames. The source code will be available with the National Combustion Code (NCC) as a complete package.

Raju, Manthena S.↗
NASA NTRS2008

Applied Space Systems Engineering: Manage Technical Data - Chapter 17

Effective space systems engineering (SSE) is conducted in a fully electronic manner. Competitive hardware, software, and system designs are created in a totally digital environment that enables rapid product design and manufacturing cycles, as well as a multitude of techniques such as modeling, simulation, and lean manufacturing that significantly reduce the lifecycle cost of systems. Because the SSE lifecycle depends on the digital environment, managing the enormous volumes of technical data needed to describe, build, deploy, and operate systems is a critical factor in the success of a project. This chapter presents the key aspects of Technical Data Management (TDM) within the SSE process. It is written from the perspective of the System Engineer tasked with establishing the TDM process and infrastructure for a major project. Additional perspectives are reflected from the point of view of the engineers on the project who work within the digital engineering environment established by the TDM toolset and infrastructure, and from the point of view of the contactors who interface via the TDM infrastructure. Table 17.1 lists the TDM process as it relates to SSE.

Kent, Peter↗
NASA NTRS2019

Progress in Additively Manufactured Copper-Alloy GRCop-84, GRCop-42, and Bimetallic Combustion Chambers for Liquid Rocket Engines

Additive Manufacturing (AM) has significantly evolved over the last decade for use in the aerospace industry, particularly for liquid rocket engines. AM offers a considerable departure from traditional manufacturing to rapidly fabricate components with complex internal features. High performance liquid rocket engine combustion chambers that operate in a high heat flux environment are fabricated using a copper-alloy liner with a series of integral coolant channels. Copper-alloys provide the necessary conductivity and material strength for adequate design margins offering high performance without the need for film coolant. Copper-alloys present unique challenges to properly melt the powder in laser-based AM processes due to their high reflectivity and conductivity. Starting in 2014, NASA’s Marshall Space Flight Center (MSFC) and Glenn Research Center (GRC) have developed a process for AM of GRCop (Copper- Chrome-Niobium) alloys using Selective Laser Melting (SLM). GRCop, originally developed at GRC, is a high conductivity, high-strength, dispersion strengthened copper-alloy for use in high-temperature, high heat flux applications. NASA has completed significant material characterization and testing, along with hot-fire testing, to demonstrate that GRCop-42 and GRCop-84 alloys are suitable for use in combustion chambers. Additional development and testing has been completed on AM bimetallic chambers using GRCop-84 liners and superalloy jackets, fabricated using two Directed Energy Deposition (DED) processes: Electron Beam Freeform Fabrication (EBF³) and Blown Powder DED. NASA completed hot-fire testing on various AM chambers using GRCop-84, GRCop-42, and bimetallic chambers in Liquid Oxygen (LOX)/Hydrogen, LOX/Methane, and LOX/Kerosene propellants.

Gradl, Paul R.↗
NASA NTRSDate not supplied

The Doppler Wind Temperature Sensor (DWTS) Flight Evaluation and Experiments (TES-16, 17)

The Doppler Wind and Temperature Sounder instrument (DWTS), developed by Global Atmospheric Technologies and Sciences (GATS), is a simple but powerful tool that has the potential to become a new window through which to study the dynamics of the upper atmosphere. Based around a defense-grade infrared camera peering through a static gas cell used as a scanning spectral filter, the DWTS instrument infers wind velocities and kinetic temperatures through the stratosphere and lower thermosphere. The DWTS achieves this scanning by measuring the induced Doppler shift and Doppler broadening of emissions as they pass through the DWTS field of view (Gordley, et al., 2011). The DWTS holds promise in improving accuracy in weather determination , and the core technology can be adapted to study other planetary atmospheres. In partnership with GATS, NOAA, and other collaborators, NASA Ames and the Nano Orbital Workshop group have been working to evaluate the DWTS instrument on orbit and optimize it as a flexible nanosatellite payload. The first mission selected for DWTS evaluation is preparing for flight in early 2024, which will be followed by a more capable science mission in 2025, with both missions being part of the TES-n/NOW heritage flight series. The first rapid technology demonstration flight, TES-16/DWTS-A, will demonstrate a single DWTS instrument in an approximately 2U payload volume with the imaging aperture perpendicular to the flight velocity vector. With an estimated power consumption of 50 watts, supplied via a custom NOW-designed DC-DC converter, the instrument will maintain the imaging sensor plane at 80K during instrument evaluation periods using an integrated pulse-tube cryocooler. Data from DWTS will be captured and processed via a NOW-designed custom data interface unit before being transmitted via S-band radio back to select ground stations, with instrument command and control operated via L-band global-coverage radio. The subsequent TES-17/DWTS-B mission will be a dedicated science mission to obtain full altitude coverage from 20 to 200 km during both day and night, all from a single small-satellite equipped with three DWTS instruments, each hosting a different gas cell chemistry. The intention of this flight series, and one of NASA’s interests in this instrument, is to advance a Martian atmospheric instrument (Colaprete, Gordley, et al) which, if successful, would greatly further understanding of Martian atmospheric behavior. The proposed paper will review the flight series in detail, including challenges facing the TES-16 flight tests and the projected challenges and application to Mars study. Additional detail regarding the possible applications of a Cognitive Communication technique in current flight development by NOW collaborators at the NASA Glenn Research Center will also be discussed, including the implications of using an automated User Initiated Service (UIS) protocol to maximize the data collected per orbit.

nanosatellite↗
DOE OSTI2018

Megagauss-level magnetic field production in cm-scale auto-magnetizing helical liners pulsed to 500 kA in 125 ns

We present Auto-magnetizing (AutoMag) liners [Slutz et al., Phys. Plasmas 24, 012704 (2017)] are designed to generate up to 100 T of axial magnetic field in the fuel for Magnetized Liner Inertial Fusion [Slutz et al., Phys. Plasmas 17, 056303 (2010)] without the need for external field coils. AutoMag liners (cylindrical tubes) are composed of discrete metallic helical conduction paths separated by electrically insulating material. Initially, helical current in the AutoMag liner produces internal axial magnetic field during a long (100 to 300 ns) current prepulse with an average current rise rate dI/dt=5 kA/ns. After the cold fuel is magnetized, a rapidly rising current (200 kA/ns) generates a calculated electric field of 64 MV/m between the helices. Such field is sufficient to force dielectric breakdown of the insulating material after which liner current is reoriented from helical to predominantly axial which ceases the AutoMag axial magnetic field production mechanism and the z-pinch liner implodes. Proof of concept experiments have been executed on the Mykonos linear transformer driver to measure the axial field produced by a variety of AutoMag liners and to evaluate what physical processes drive dielectric breakdown. Lastly, a range of field strengths have been generated in various cm-scale liners in agreement with magnetic transient simulations including a measured field above 90 T at I = 350 kA. By varying the helical pitch angle, insulator material, and insulator geometry, favorable liner designs have been identified for which breakdown occurs under predictable and reproducible field conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

TREAT Transient Test Reactor Restart Status

Transient testing involves placing nuclear fuel or material into the core of a nuclear reactor designed to operate at high power for a short time, and subjecting the nuclear fuel or material to short bursts of intense, high power radiation. After the experiment is completed, the fuel or material is analyzed to determine the effects of the radiation. The results are then used in fuel or material design and/or qualification. Transient testing is required for essentially all nuclear fuel design and qualification efforts to learn how nuclear fuel will respond during accidents involving transient overpower and/or under cooling events. For example, nuclear fuel may fragment when exposed to higher than normal power. This fragmentation can cause unacceptable performance. Transient testing is also needed to validate performance models for nuclear fuel and materials. These models, when validated, will dramatically shorten the development and qualification life cycle for nuclear fuels, supporting rapid development of low emissions, reliable power generation. In the past, transient testing was primarily done in facilities that no longer exist. The U.S. Department of Energy evaluated how to provide the required transient testing capability and, following completion of the National Environmental Policy Act process, they selected the Transient Reactor Test (TREAT) facility to resume transient testing. TREAT is located at Idaho National Laboratory (INL). The TREAT reactor was used from 1959 to 1994 to conduct more than 2,500 nuclear fuel transient tests, and was placed in standby in 1994. TREAT is capable of transients in excess of 19 GW. The paper describes the progress towards restart. The restart efforts have revealed that the plant fuel and equipment is acceptable for future operations. The safety basis development, procedures, and training are well under way. Experiment capability preparations are in progress. Reactor startup is anticipated no later than 2018. (author)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Accurate Machine Learning for Predicting the Viscosities of Deep Eutectic Solvents

Deep eutectic solvents (DESs) are emerging as environmentally friendly designer solvents for mass transport and heat transfer processes in industrial applications; however, the lack of accurate tools to predict and thus control their viscosities under both a range of environmental factors and formulations hinders their general application. While DESs may serve as designer solvents, with nearly unlimited combinations, this unfortunately makes it experimentally infeasible to comprehensively measure the viscosities of all DESs of potential industrial interest. To assist in the design of DESs, we have developed several new machine learning (ML) models that accurately and rapidly predict the viscosities of a diverse group of DESs at different temperatures and molar ratios using, to date, one of the most comprehensive data sets containing the properties of over 670 DESs over a wide range of temperatures (278.15–385.25 K). Three ML models, including support vector regression (SVR), feed forward neural networks (FFNNs), and categorical boosting (CatBoost), were developed to predict DES viscosity as a function of temperature and molar ratio and contrasted with multilinear and two-factor polynomial regression baselines. Further, quantum chemistry-based, COSMO-RS-derived sigma profile (σ-profile) features were used as inputs for the ML models. The CatBoost model is excellent at externally predicting DES viscosity, as indicated by high R 2 (0.99) and low root-mean-square-error (RMSE) and average absolute relative deviations (AARD) (5.22%) values for the testing data sets, and 98% of the data points lie within the 15% of AARD deviations. Furthermore, SHapley additive explanation (SHAP) analysis was employed to interpret the ML results and rationalize the viscosity predictions. The result is an ML approach that accurately predicts viscosity and will aid in accelerating the design of appropriate DESs for industrial applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1975

New capabilities for the Wallops Island SPANDAR

Systems incorporated into the SPANDAR to increase spatial resolution and data processing capabilities are described. They include a minicomputer that performs real-time formatting of video data, rapid antenna scan control, and control of a digital integrator; a frequency diversity technique for faster accumulation of independent video samples; the on-line calibration system for insertion of high and low calibration signals during every PRF interval; and utilization of a large capacity, high speed computer. The resultant data will be used to create statistical thunderstorm models for designing microwave communications systems.

Kropfli, R. A.↗
NASA NTRS1985

High-voltage solar-cell chip

Integrated circuit technology has been successfully applied to the design and fabrication of 0.5 x 0.5-cm planar multijunction solar-cell chips. Each of these solar cells consisted of six voltage-generating unit cells monolithically connected in series and fabricated on a 75-micron-thick, p-type, single crystal, silicon substrate. A contact photolithic process employing five photomask levels together with a standard microelectronics batch-processing technique were used to construct the solar-cell chip. The open-circuit voltage increased rapidly with increasing illumination up to 5 AM1 suns where it began to saturate at the sum of the individual unit-cell voltages at a maximum of 3.0 V. A short-circuit current density per unit cell of 240 mA/sq cm was observed at 10 AM1 suns.

Kapoor, V. J.↗
NASA NTRS2006

Remote Sensing Time Series Product Tool

The TSPT (Time Series Product Tool) software was custom-designed for NASA to rapidly create and display single-band and band-combination time series, such as NDVI (Normalized Difference Vegetation Index) images, for wide-area crop surveillance and for other time-critical applications. The TSPT, developed in MATLAB, allows users to create and display various MODIS (Moderate Resolution Imaging Spectroradiometer) or simulated VIIRS (Visible/Infrared Imager Radiometer Suite) products as single images, as time series plots at a selected location, or as temporally processed image videos. Manually creating these types of products is extremely labor intensive; however, the TSPT development tool makes the process simplified and efficient. MODIS is ideal for monitoring large crop areas because of its wide swath (2330 km), its relatively small ground sample distance (250 m), and its high temporal revisit time (twice daily). Furthermore, because MODIS imagery is acquired daily, rapid changes in vegetative health can potentially be detected. The new TSPT technology provides users with the ability to temporally process high-revisit-rate satellite imagery, such as that acquired from MODIS and from its successor, the VIIRS. The TSPT features the important capability of fusing data from both MODIS instruments onboard the Terra and Aqua satellites, which drastically improves cloud statistics. With the TSPT, MODIS metadata is used to find and optionally remove bad and suspect data. Noise removal and temporal processing techniques allow users to create low-noise time series plots and image videos and to select settings and thresholds that tailor particular output products. The TSPT GUI (graphical user interface) provides an interactive environment for crafting what-if scenarios by enabling a user to repeat product generation using different settings and thresholds. The TSPT Application Programming Interface provides more fine-tuned control of product generation, allowing experienced programmers to bypass the GUI and to create more user-specific output products, such as comparison time plots or images. This type of time series analysis tool for remotely sensed imagery could be the basis of a large-area vegetation surveillance system. The TSPT has been used to generate NDVI time series over growing seasons in California and Argentina and for hurricane events, such as Hurricane Katrina.

Predos, Don↗
DOE OSTI2014

Design of Refractory Linings for Balanced Energy Efficiency, Uptime, and Capacity in Lime Kilns

The rotary kilns used by the pulp and paper industry to regenerate lime in the Kraft process are very energy intensive. Throughout the 90 s, in response to increasing fuel prices, the industry used back up insulation in conjunction with the high alumina brick used to line the burning zones of their kilns. While this improved energy efficiency, the practice of installing insulating brick behind the working lining increased the inner wall temperatures. In the worst case, due to the increased temperatures, rapid brick failures occurred causing unscheduled outages and expensive repairs. Despite these issues, for the most part, the industry continued to use insulating refractory linings in that the energy savings were large enough to offset any increase in the cost of maintaining the refractory lining. Due to the dramatic decline in the price of natural gas in some areas combined with mounting pressures to increasing production of existing assets, over the last decade, many mills are focusing more on increasing the uptime of their kilns as opposed to energy savings. To this end, a growing number of mills are using basic (magnesia based) brick instead of high alumina brick to line the burning zone of the kiln since the lime mud does not react with these bricks at the operating temperatures of the burning zone of the kiln. In the extreme case, a few mills have chosen to install basic brick in the front end of the kiln running a length equivalent to 10 diameters. While the use of basic brick can increase the uptime of the kiln and reduce the cost to maintain the refractory lining, it does dramatically increase the heat losses resulting from the increased operating temperatures of the shell. Also, over long periods of time operating at these high temperatures, damage can occur in the shell. There are tradeoffs between energy efficiency, capacity and uptime. When fuel prices are very high, it makes sense to insulate the lining. When fuel prices are lower, trading some thermal efficiency for increased uptime and capacity seems reasonable. This paper considers a number of refractory linings in an effort to develop optimized operating strategies that balance these factors. In addition to considering a range of refractory materials, the paper examines other factors such as the chain area, discharge dams and other operating variables that impact the service life of the refractory lining. The paper provides recommendations that will help mill personnel develop a strategy to select a refractory lining that is optimized for their specific situation.

Computational Modeling↗
NASA NTRS2013

Planetary Protection Bioburden Analysis Program

This program is a Microsoft Access program that performed statistical analysis of the colony counts from assays performed on the Mars Science Laboratory (MSL) spacecraft to determine the bioburden density, 3-sigma biodensity, and the total bioburdens required for the MSL prelaunch reports. It also contains numerous tools that report the data in various ways to simplify the reports required. The program performs all the calculations directly in the MS Access program. Prior to this development, the data was exported to large Excel files that had to be cut and pasted to provide the desired results. The program contains a main menu and a number of submenus. Analyses can be performed by using either all the assays, or only the accountable assays that will be used in the final analysis. There are three options on the first menu: either calculate using (1) the old MER (Mars Exploration Rover) statistics, (2) the MSL statistics for all the assays, or This software implements penetration limit equations for common micrometeoroid and orbital debris (MMOD) shield configurations, windows, and thermal protection systems. Allowable MMOD risk is formulated in terms of the probability of penetration (PNP) of the spacecraft pressure hull. For calculating the risk, spacecraft geometry models, mission profiles, debris environment models, and penetration limit equations for installed shielding configurations are required. Risk assessment software such as NASA's BUMPERII is used to calculate mission PNP; however, they are unsuitable for use in shield design and preliminary analysis studies. The software defines a single equation for the design and performance evaluation of common MMOD shielding configurations, windows, and thermal protection systems, along with a description of their validity range and guidelines for their application. Recommendations are based on preliminary reviews of fundamental assumptions, and accuracy in predicting experimental impact test results. The software is programmed in Visual Basic for Applications for installation as a simple add-in for Microsoft Excel. The user is directed to a graphical user interface (GUI) that requires user inputs and provides solutions directly in Microsoft Excel workbooks. This work was done by Shannon Ryan of the USRA Lunar and Planetary Institute for Johnson Space Center. Further information is contained in a TSP (see page 1). MSC- 24582-1 Micrometeoroid and Orbital Debris (MMOD) Shield Ballistic Limit Analysis Program Lyndon B. Johnson Space Center, Houston, Texas Commercially, because it is so generic, Enigma can be used for almost any project that requires engineering visualization, model building, or animation. Models in Enigma can be exported to many other formats for use in other applications as well. Educationally, Enigma is being used to allow university students to visualize robotic algorithms in a simulation mode before using them with actual hardware. This work was done by David Shores and Sharon P. Goza of Johnson Space Center; Cheyenne McKeegan, Rick Easley, Janet Way, and Shonn Everett of MEI Technologies; Mark Manning of PTI; and Mark Guerra, Ray Kraesig, and William Leu of Tietronix Software, Inc. For further information, contact the JSC Innovation Partnerships Office at (281) 483-3809. MSC-24211-1 Spitzer Telemetry Processing System NASA's Jet Propulsion Laboratory, Pasadena, California The Spitzer Telemetry Processing System (SirtfTlmProc) was designed to address objectives of JPL's Multi-mission Image Processing Lab (MIPL) in processing spacecraft telemetry and distributing the resulting data to the science community. To minimize costs and maximize operability, the software design focused on automated error recovery, performance, and information management. The system processes telemetry from the Spitzer spacecraft and delivers Level 0 products to the Spitzer Science Center. SirtfTlmProc is a unique system with automated error notification and recovery, with a real-time continuous service that can go quiescent after periods of inactivity. The software can process 2 GB of telemetry and deliver Level 0 science products to the end user in four hours. It provides analysis tools so the operator can manage the system and troubleshoot problems. It automates telemetry processing in order to reduce staffing costs. This work was done by Alice Stanboli, Elmain M. Martinez, and James M. McAuley of Caltech for NASA's Jet Propulsion Laboratory. For more information, contact iaoffice @jpl.nasa.gov. This software is available for commercial licensing. Please contact Dan Broderick at Daniel.F. Broderick@jpl.nasa.gov. Refer to NPO-47803. NASA Tech Briefs, September 2013 29 This rapid response computer program predicts Orbiter Wing Leading Edge (WLE) damage caused by ice or foam impact during a Space Shuttle launch (Program "IMPACT2"). The program was developed after the Columbia accident in order to assess quickly WLE damage due to ice, foam, or metal impact (if any) during a Shuttle launch. IMPACT2 simulates an impact event in a few minutes for foam impactors, and in seconds for ice and metal impactors. The damage criterion is derived from results obtained from one sophisticated commercial program, which requires hours to carry out simulations of the same impact events. The program was designed to run much faster than the commercial program with prediction of projectile threshold velocities within 10 to 15% of commercial-program values. The mathematical model involves coupling of Orbiter wing normal modes of vibration to nonlinear or linear springmass models. IMPACT2 solves nonlinear or linear impact problems using classical normal modes of vibration of a target, and nonlinear/ linear time-domain equations for the projectile. Impact loads and stresses developed in the target are computed as functions of time. This model is novel because of its speed of execution. A typical model of foam, or other projectile characterized by material nonlinearities, impacting an RCC panel is executed in minutes instead of hours needed by the commercial programs. Target damage due to impact can be assessed quickly, provided that target vibration modes and allowable stress are known. This work was done by Robert Clark, Jr., Paul Cotter, and Constantine Michalopoulos of The Boeing Company for Johnson Space Center. For further information, contact the JSC Innovation Partnerships Office at (281) 483-3809. MSC-24988-1 Wing Leading Edge RCC Rapid Response Damage Prediction Tool (IMPACT2) Lyndon B. Johnson Space Center, Houston, Texas (3) the MSL statistics for only the accountable assays. Other options on the main menu include a data editing form and utility programs that produce various reports requested by the microbiologists and the project, and tools to generate the groupings for the final analyses. The analyses can be carried out in three ways: Each assay can be treated separately, the assays can be collectively treated for the whole zone as a group, or the assays can be collected in groups designated by the JPL Planetary Protection Manager. The latter approach was used to generate the final report because assays on the same equipment or similar equipment can be assumed to have been exposed to the same environment and cleaning. Thus, the statistics are improved by having a larger population, thereby reducing the standard deviation by the square root of N. For each method mentioned above, three reports are available. The first is a detailed report including all the data. This version was very useful in verifying the calculations. The second is a brief report that is similar to the full detailed report, but does not print out the data. The third is a grand total and summary report in which each assay requires only one line. For the first and second reports, most of the calculations are performed in the report section itself. For the third, all the calculations are performed directly in the query bound to the report. All the numerical results were verified by comparing them with Excel templates, then exporting the data from the Planetary Protection Analysis program to Excel.

Beaudet, Robert A.↗
DOE OSTI2022

Balancing Panchromatic Absorption and Multistep Charge Separation in a Compact Molecular Architecture

A panchromatic triad and a charge-separation triad are joined in a crossbar architecture to capture solar energy. The panchromatic triad (T) is comprised of a central free-base porphyrin that is strongly coupled via direct ethyne linkages to two perylene-monoimides. Here, the charge-separation unit incorporates a free-base or zinc chlorin (C or ZnC) as a hole acceptor (or electron donor) and a perylene-diimide (PDI) as an electron acceptor, both attached to the porphyrin via diphenylethyne linkers. The free-base porphyrin is common to both light-harvesting and charge-separation motifs. The chlorin and PDI also function as ancillary light absorbers, complementing direct excitation of the panchromatic triad to produce the discrete lowest excited state of the array (T*). Attainment of full charge separation across the pentad entails two steps: (1) an initial excited-state hole/electron transfer process to oxidize the chlorin (and reduce the triad) or reduce the PDI (and oxidize the triad); and (2) subsequent ground-state electron/hole migration to produce oxidized chlorin and reduced PDI. Full charge separation for pentad ZnC-T-PDI to generate ZnC + -T-PDI¯ occurs with a quantum yield of ~30% and mean lifetime ~1 μs in dimethyl sulfoxide. For C-T-PDI, initial charge separation is followed by rapid charge recombination. The molecular designs and studies reported here reveal the challenges of balancing the demands for charge separation (linker length and composition, excited-state energies, redox potentials, and medium polarity) with the constraints for panchromatic absorption (strong electronic coupling of the porphyrin and two perylene-monoimide units) for integrated function in solar-energy conversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗