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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Sierra/SolidMechanics for Target Pulse Analysis

Sierra is a Multiphysics engineering simulation software suite developed and maintained by Sandia National Laboratories. Created for nuclear weapon needs, it is available to national laboratories with a foreign national restriction. The STS Target Systems analysis team is interested in using Sierra to perform explicit dynamics simulations of the tantalum clad tungsten target blocks as a response to sudden temperature changes induced by proton beam pulses. The capability already exists with Abaqus|Explicit, however, there are time and cost limitations due to licensing. The following document serves as a “quick-start” guide to the successful setup, simulation, and post-processing of a target model in Sierra on the OZ3 computing cluster at the Spallation Neutron Source.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

FRMAC Assessment Manual Volume 3 - Pre-Assessed Default Scenarios

This volume of the Federal Radiological Monitoring and Assessment Center (FRMAC) Assessment Manual was developed to serve as a quick-start guide to expedite response for pre-assessed scenarios before event-specific information becomes available. The objective of Volume 3 is to provide dose assessors with the scenario-specific protective action guidance questions likely to be asked at the start of a response, along with supporting technical information and assumptions that differ from the default assumptions defined in Volume 2 of the Assessment Manual.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2024

Storage Sizing and Placement Simulation: Quick-Start Case Study User’s Guide

The Storage Sizing and Placement Simulation (SSIM) application allows a user to define the possible sizes and locations of energy storage elements on an existing grid model defined in OpenDSS. Given these possibilities, the software will automatically search through them and attempt to determine which configurations result in the best overall grid performance. This quick-start guide will go through, in detail, the creation of an SSIM model based on a modified version of the IEEE 34 bus test feeder system. There are two primary parts of this document. The first is a complete list of instructions with little-to-no explanation of the meanings of the actions requested. The second is a detailed description of each input and action stating the intent and effect of each. There are links between the two sections.

25 ENERGY STORAGE↗
DOE OSTI2025

The QUIC Start Guide (V.6.4.9)

QUIC stands for the Quick Urban & Industrial Complex (QUIC) dispersion modeling system. QUIC is a fast response urban dispersion model that runs on a laptop. QUIC is comprised of a 3D wind field model called QUIC-URB, a transport and dispersion model called QUIC-PLUME, and graphical user interface called QUIC-GUI. QUIC also includes QUIC-PRESSURE to solve for pressure fields in and around buildings, a population exposure assessment tool called QUIC-POP, and an indoor infiltration calculator for computing indoor concentrations. Transport and dispersion for different types of airborne contaminants can be computed on building to neighborhood scales in tens of seconds to tens of minutes. QUIC will never give perfect answers, but it will account for the effects of buildings in an approximate way and provide more realism than non-building aware dispersion models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Heat transfer from glass melt to cold cap: Melting rate correlation equation

Increasing the efficiency of all-electric melters is a hot topic not only in the waste glass melting industry, where the melting rate directly influences the life cycle of the cleanup process, but also in the commercial glass industry, where increasingly stringent environmental regulations and rapid development of renewable energy sources ask for transformation of traditional fossil fuel technology. Batch-to-glass conversion in an all-electric melter proceeds in the cold cap—a layer of reacting and melting material floating on molten glass. The heat transfer into the cold cap is controlled by convection and conduction in the thermal boundary layer on the melt side, and by the properties of the foam layer at the cold cap/melt boundary. An overview of factors affecting heat transfer is presented and assessed using data from laboratory and pilot-scale experiments. The heat flux can be improved by (i) decreasing glass melt viscosity, (ii) decreasing the temperature at which the foam starts to collapse at the cold cap bottom, and (iii) increasing melt convection by bubbling gas into the glass melt under the cold cap. Detailed understanding of the conversion process can guide the formulation of feeds that melt easily and quickly.

Hrma, Pavel↗
DOE OSTI2020

Closed-Form Solutions for the Equations of Motion of the Heavy Symmetrical Top with One Point Fixed

The Equations of Motion (EOM) for the Heavy Symmetrical Top with One Point Fixed are highly non-linear. The literature describes the numerical methods that are used to resolve this Classical system including modern tools i.e. the Runge-Kutta Fourth Order method. It is more difficult to derivate closed-form solutions for the EOM and as mentioned in the literature it is not always possible to find the close-form solution for all the EOM. Fortunately, there are a few examples available that will serve as a guide to move further on in this topic. It is the purpose of this paper to find a methodology that will produce the solutions for a given subset of EOM that fulfill certain requisites. The report is organized as follows: it starts with a very short summary of the literature available on this topic and quickly follows into the derivation of the EOM using the Euler-Lagrange method. The Routhian will be used to reduce the size of the expression. It continues with the formulation of the Classical cubic function (f(u)) through a novel process. The roots of f(u) are of the outmost importance to be able to find the EOM closed-form solution, and once the final roots are selected the general method that will produce the closed-form solutions is presented. Two sets of examples are included to show the validity of the process and comparisons of the results from the closed-form solutions vs. the numerical results for these examples are shown.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Revolutionizing Turbine Cooling with Micro-Architectures Enabled by Direct Metal Laser Sintering

The objective of this research effort was to explore innovative cooling architectures enabled by additive manufacturing techniques for improved turbine cooling performance. The ability to create complex internal geometries was leveraged to better distribute coolant as well as to integrate inherently unstable flow devices to enhance internal and external heat transfer. This was accomplished with a multi-faceted approach including analytical, experimental, and computational components. This final report documents progress during the total 4.25 year effort that was extended (at no additional cost) from the original 3-year cooperative agreement. Prior to starting the project, significant effort was invested in investigating innovative cooling designs from the open literature. When the project started, we quickly down-selected to 4 configurations: impingement jet fluidic oscillators (for internal leading edge cooling), reverse film cooling (for pressure surface), sweeping film cooling jets (for suction surface), and trailing edge slot cooling with microchannels. During the 2nd year, the reverse film cooling design was shown to be sub-optimal and work on that topic was halted. The three remaining technologies were integrated into a large scale nozzle guide vane and installed into a low-speed linear cascade facility for further interrogation. Initial results showed the sweeping film cooling jets (on the suction surface) to be the most promising technology compared to a baseline diffusion shaped film hole (777 design). The benefit was particularly evident at high blowing ratios (>1.5) when the 777 coolant film separated from the downstream surface. Benefits were also evident at elevated freestream turbulence levels. The leading edge cooling with unsteady jets was less effective in terms of peak or average cooling – however it was superior to round hole impingement cooling in terms of spatial uniformity. Finally, the trailing edge cooling design with micro-channels was scrapped in favor of a pinned arrangement with centerbody. During the 3rd year, the same three technologies were integrated into a transonic linear cascade for an assessment of compressibility effects. Again, the sweeping film cooling jets proved superior at high blowing ratios while the unsteady leading edge impingement and trailing edge pin-fins with centerbody designs yielded mixed results. Finally, during the 4th and final year, these 3 technologies were integrated into a direct metal laser sintered (DMLS) nozzle guide vane for testing in a high temperature, transonic annular vane cascade. The facility matches the flow temperature, Mach number, and coolant pressure ratios of an actual gas turbine. Before doing this, an additional series of tests were completed to validate a redesigned trailing edge cooling architecture. This final design included a centerbody with triangular pins between the centerbody and the vane external skin. The majority of these triangular pins are fabricated with a 30% gap to the centerbody – reducing their pressure drop considerably while still providing excellent heat transfer augmentation. This additional test campaign required an additional 3-month extension request to complete testing in the high temperature NGV test facility (Turbine Reacting Flow Rig – TuRFR). Testing of the DMLS vane in TuRFR pitted the 3 innovative cooling technologies against more traditional technologies (shaped 777 film hole, round impingement jet, and full pin arrangement in the trailing edge. The sweeping film cooling jets (on the suction surface) showed approximately 15% improvement in overall effectiveness compared to the 777 film hole while the trailing edge showed up to 20% improvement. The leading edge impingement was disappointing with a substantially lower effectiveness than traditional direct impingement. In summary, the study was successful in demonstrating that DMLS-enabled cooling technologies can yield significant gains in cooling performance.

03 NATURAL GAS↗
DOE OSTI2025

Recovery Simulator and Analysis Formulation: Mathematical Framework for Enhanced Resilience and Resource Allocation

This report introduces recovery simulator and analysis (RSA), a framework aimed at enhancing the resilience of electrical grids post-disruption. The RSA model leverages an optimization problem formulation that focuses on maximizing the load served (or optionally customers served) through a coordinated and cooptimized recovery of non-black start generation, transmission lines, feeders and substations subject to labor budget constraints. By integrating advanced linear programming techniques, the simulator selects efficient reocovery pathways, optimizing both short-term and long-term grid recovery strategies. The mathematical framework guides decision-making through a comprehensive evaluation of potential recovery actions, factoring in the trade-offs between labor constraints and load (or optionally customer) restoration efficacy. This enables grid operators to simulate diverse outage scenarios and delineate optimal recovery pathways, thereby prioritizing critical repair tasks and ensuring resource allocation is both economical and effective. The intended use case of RSA is to allow planners to explore many recovery scenarios quickly and determine assets most critical across a wide range of scenarios, and therefore strong candidates for hardening or additional investment. RSA might also be used in an operational setting, following a single event, for exploring efficient recovery pathways.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1995

Mars Pathfinder Landing Site Workshop 2: Characteristics of the Ares Vallis Region and Field Trips in the Channeled Scabland, Washington

This volume, the first of two comprising the technical report for this workshop, contains papers that have been accepted for presentation at the Mars Pathfinder Landing Site Workshop 2: Characteristics of the Ares Vallis Region, September 24-30, 1995, in Spokane, Washington. The Mars Pathfinder Project received a new start in October 1993 as one of the next missions in NASA's long-term Mars exploration program. The mission involves landing a single vehicle on the surface of Mars in 1997. The project is one of the first Discovery-class missions and is required to be a quick, low-cost mission and achieve a set of significant but focused engineering, science, and technology objectives. The primary objective is to demonstrate a low-cost cruise, entry, descent, and landing system required to place a payload on the martian surface in a safe, operational configuration. Additional objectives include the deployment and operation of various science instruments and a microrover. Pathfinder paves the way for a cost-effective implementation of future Mars lander missions. Also included in this volume is the field trip guide to the Channeled Scabland and Missoula Lake Break-out. On July 4, 1997, Mars Pathfinder is scheduled to land near 19.5 deg N, 32.8 deg W, in a portion of Ares Vallis. The landing ellipse covers a huge (100 x 200 km) area that appears to include both depositional and erosional landforms created by one or more giant, catastrophic floods. One of the best known terrestrial analogs to martian outflow channels (such as Ares Vallis) is the region known as the Channeled Scabland. The field trip guide describes some of the geomorphological features of the Channeled Scabland and adjacent Lake Missoula break-out area near Lake Pend Oreille, Idaho.

Golombek, M. P.↗
NASA NTRSDate not supplied

Sensorimotor Application of Proposed Methods to Combine the Effects of Multiple Countermeasures for PRisM

Risk associated with human systems is challenging to quantify but is critical for the mission planning and decision making required to enable future Lunar and Martian missions. To address this gap, the Crew Health and Performance-Probabilistic Risk Assessment (CHP-PRA) project is developing an integrated computational model for CHP mission risk. Much like how MEDPRAT is designed to allow medical resource trades informed by medical risk, CHP-PRA will enable analogous trades in human system risks across multiple CHP functions and capabilities. Human performance is one component of the risk intended to be captured by CHP-PRA through the Performance Risk Model (PRisM). The sensorimotor risk area provides a good frame of reference for investigating the structure of a performance model because most tasks that astronauts are expected to perform require input from the sensory system and/or movement/motor control. Additionally, sensorimotor countermeasures are an area of particular concern for NASA’s Human Research Program because of the increased sensorimotor risk associated with surface operations in Lunar and Martian missions. Thus, a tool that can quickly compare risk reductions of potential countermeasures would be beneficial in guiding research and development of effective countermeasures. In this proof of concept, we present a systematic way to combine multiple performance data sets for humans subjected to different countermeasures such that we can predict the countermeasure(s) that optimize astronaut performance on relevant tasks. PRisM assumes that both the tests that are used to measure countermeasure effectiveness (input data) and the tasks we use to represent astronaut performance, can be broken down and represented as a function/vector of the human systems required to perform that test/task. Through mathematical combination, test data are used to predict performance on astronaut tasks that use similar systems. We propose that when combining countermeasures evaluated using the same test, that only one value should be used to represent their combined effectiveness. We start our analysis with the assumption that two countermeasures together will perform better than each countermeasure individually. Our initial implementation of this framework compares various space motion sickness countermeasures and the most up to date analysis will be demonstrated at the IWS.

Caroline R Austin↗
DOE OSTI2020

Calibration and Uncertainty Estimation Using the Ensemble Kalman Filter with a Large Subsurface Flow and Transport Model - 20321

At routinely monitored groundwater contamination sites, periodically measured environmental conditions such as groundwater levels and contaminant concentrations are used to inform and confirm a conceptual site model (CSM) and guide the development and calibration of a numerical groundwater flow and transport model. The calibration of groundwater flow and transport models after each measurement (sampling) event can illuminate deficiencies in a CSM, identify areas where additional monitoring is warranted, and predict the behavior of the system to guide decision making. However, manual and automated (e.g. PEST) model calibration tools can be time-consuming and computationally expensive to implement after each sampling event. Perhaps as a result, such calibration tools generally utilize all available monitoring data simultaneously rather than sequentially assimilating monitoring data one sampling event at a time as the results from sampling become available. A more real-time data assimilation approach may reduce parameter uncertainty, quantify the value of additional monitoring data, and produce a usable model more quickly and with less effort. To mitigate the potential time-consuming aspects of manual and widely applied automated calibration techniques, a data assimilation algorithm called the ensemble Kalman filter (EnKF) was evaluated as a relatively efficient method of model calibration and uncertainty assessment via the sequential integration of monitoring data into a model. The EnKF was able to successfully and efficiently assimilate monitoring and modeling data to calibrate a complex flow and transport model at a real-world site with significant subsurface heterogeneity, uncertainty, and 12 years of monitoring data (over 4,000 individual measurements of groundwater levels and over 2,500 measurements of contaminant concentrations). Starting with an uncalibrated model data from annual sampling events were sequentially assimilated, and the resultant predication errors and estimated parameter uncertainties were tracked. After all monitoring data were assimilated, both flow and transport residuals at the end of the EnKF process were comparable to those produced via a concurrent PEST calibration effort but required fewer model simulations. Both uncertainty and prediction errors decreased over time. In a real-time application, the adequacy of the model could be assessed after each sampling event. The benefits of such a real-time approach to utilizing monitoring data include reduced costs (in the form of model updates or site characterization efforts), early flagging of possible errors in the CSM, and a reduced risk of overfitting and corresponding increased confidence in model predictions. This tool may be particularly useful compared to other calibration techniques (e.g. manual, PEST) when model runtimes are long, calibration parameters are many, or parameter uncertainty is large. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2010

Toward Right-Fidelity Rotorcraft Conceptual Design

The aviation Advanced Design Office (ADO) of the US Army Aeroflightdynamics Directorate (AMRDEC) performs conceptual design of advanced Vertical Takeoff and Landing (VTOL) concepts in support of the Army's development and acquisition of new aviation systems. In particular, ADO engages in system synthesis to assess the impact of new technologies and their application to satisfy emerging warfighter needs and requirements. Fundamental to ADO being successful in accomplishing its role; is the ability to evaluate a wide array of proposed air vehicle concepts, and independently synthesize new concepts to inform Army and DoD decision makers about the tradespace in which decisions will be made (Figure 1). ADO utilizes a conceptual design (CD) process in the execution of its role. Benefiting from colocation with NASA rotorcraft researchers at the Ames Research Center, ADO and NASA have engaged in a survey of the current rotorcraft PD practices and begun the process of improving those capabilities to enable effective design and development of the next generation of VTOL systems. A unique aspect of CD in ADO is the fact that actual designs developed in-house are not intended to move forward in the development process. Rather, they are used as reference points in discussions about requirements development and technology impact. The ultimate products of ADO CD efforts are technology impact assessments and specifications which guide industry design activity. The fact that both the requirement and design are variables in the tradespace adds to the complexity of the CD process. A frequent need is ability to assess the relative "cost" of variations in requirement for a diverse set of VTOL configurations. Each of these configurations may have fundamentally different response characteristics to this requirement variation, and such insight into how different requirements drive different designs is a critical insight ADO attempts to provide decision makers. The processes and tools utilized are driven by the timeline in which questions must be answered. This can range from quick "back-of-the-envelope" assessments of a configuration made in an afternoon, to more detailed tradespace explorations that can take upwards of a year to complete. A variety of spreadsheet based tools and conceptual design codes are currently in use. The in-house developed conceptual sizing code RC (Rotorcraft) has been the preferred tool of choice for CD activity for a number of years. Figure 2 illustrates the long standing coupling between RC and solid modeling tools for layout, as well as a number of ad-hoc interfaces with external analyses. RC contains a sizing routine that is built around the use of momentum theory for rotors, classic finite wing theory, a referred parameter engine model, and semi-emperical weight estimation techniques. These methods lend themselves to rapid solutions, measured in seconds and minutes. The successful use of RC, however requires careful consideration of model input parameters and judicious comparison with existing aircraft to avoid unjustified extrapolation of results. RC is in fact a legacy of a series of codes whose development started in the early 1970s, and is best suited to the study of conventional helicopters and XV-15 style tiltrotors. Other concepts have been analyzed with RC, but typically it became necessary to modify the source code and methods for each unique configuration. Recent activity has lead to the development of a new code, NASA Design and Analysis of Rotorcraft (NDARC). NDARC uses a similar level of analytical fidelity as RC, but is built on a new framework intended to improve modularity and ability to rapidly model a wider array of concepts. Critical to achieving this capability is the decomposition of the aircraft system into a series of fundamental components which can then be assembled to form a wide-array of configurations. The paper will provide an overview of NDARC and its capabilities.

Sinsay, Jeffrey D.↗
DOE OSTI2023

CSAPR2 cell-tracking data collected during TRACER

One of the challenges of analyzing convective cell properties is quick evolution of the individual convective cells. While the operational radar data provide great a data set to analyze the evolution of radar observables of convective precipitation clouds statistically, previous studies also suggested that, because of the quick evolution of cell life cycle, conventional radar volume scan strategies taking ~5-7 minutes might not capture the detailed evolution. The TRACER campaign deployed CSAPR2, which performed frequent update of RHI and sector PPI scans to track convective cells every < 2 minutes guided by a new cell-tracking framework, Multisensor Agile Adaptive Sampling (MAAS; Kollias et al. 2020). This allows for capturing fast-evolving radar observables. The submitted data files are CSAPR2 data in CfRadial format collected during the TRACER field campaign from June to September 2020. The data files include processed radar variables including: noise-masked reflectivity and differential reflectivity corrected for rain attenuation and systematic biases, noise-masked dealiased radial velocity, specific differential phase, locations of target cells (latitude, longitude, radar range), and radar-echo classification.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2014

Robonaut 2 - IVA Experiments On-Board ISS and Development Towards EVA Capability

Robonaut 2 (R2) has completed its fixed base activities on-board the ISS and is scheduled to receive its climbing legs in early 2014. In its continuing line of firsts, the R2 torso finished up its on-orbit activities on its stanchion with the manipulation of space blanket materials and performed multiple tasks under teleoperation control by IVA astronauts. The successful completion of these two IVA experiments is a key step in Robonaut's progression towards an EVA capability. Integration with the legs and climbing inside the ISS will provide another important part of the experience that R2 will need prior to performing tasks on the outside of ISS. In support of these on-orbit activities, R2 has been traversing across handrails in simulated zero-g environments and working with EVA tools and equipment on the ground to determine manipulation strategies for an EVA Robonaut. R2 made significant advances in robotic manipulation of deformable materials in space while working with its softgoods task panel. This panel features quarter turn latches that secure a space blanket to the task panel structure. The space blanket covers two cloth cubes that are attached with Velcro to the structure. R2 was able to open and close the latches, pull back the blanket, and remove the cube underneath. R2 simulated cleaning up an EVA worksite as well, by replacing the cube and reattaching the blanket. In order to interact with the softgoods panel, R2 has both autonomously and with a human in the loop identified and localized these deformable objects. Using stereo color cameras, R2 identified characteristic elements on the softgoods panel then extracted the location and orientation of the object in its field of view using stereo disparity and kinematic transforms. R2 used both vision processing and supervisory control to successfully accomplish this important task. Teleoperation is a key capability for Robonaut's effectiveness as an EVA system. To build proficiency, crewmembers have attempted increasingly difficult tasks using R2 inside the Station. After donning motion capture equipment and a virtual reality visor, Expedition 34/35 flight engineer Tom Marshburn began operations with simple hand movements. Having gained confidence, Marshburn guided R2's arms in a leader-follower exercise with crewmate Chris Cassidy. He was also able to use the hand to grab a tumbling roll of tape, a task only demonstrable in microgravity. Later efforts saw Cassidy handle softgoods through shared control with ground operators, mimicking an activity previously achieved using only autonomy. Robotic climbing through the ISS on handrails requires both precision motion and compliant grasps in order to both position grippers on handrails/seat track and prevent large internal forces. R2 climbs using actively controlled compliance and torque limiting to meet both the precision and softness requirements. During a step, the attached leg is controlled to be strong and stiff in order to maintain precision trajectory tracking. The swing leg is controlled to be stiff but weak to minimize unintentional impact forces while maintaining precision. During a simulated dual limb grasp (as shown in Figure 1), the R2 controller maintains one limb rigid and one limb soft to prevent large internal forces from building up. R2's grippers also use a form of force control to limit grip force while not fully closed on either a handrail or seat track thus limiting unintentional forces on cables/objects that may be present in R2's translational path. The on-board torso R2 safety system relies on a single end-effector velocity limit to prevent potential impact forces from exceeding Station maximum load requirements. R2's mobile configuration required modifications to the velocity limiting safety function due to its large, dynamic inertia. R2's legs maneuver the robot's mass creating configuration dependent, joint-relative inertias. A single all-encompassing velocity limit to cover worst case inertia is prohibitively low. The upgraded R2 control and safety systems solve this problem using momentum limiting, momentum control, and kinetic energy minimization. Momentum and kinetic energy take the robot mass into account relieving low velocity restrictions on low inertia end-effectors while ensuring that the overall mass of R2 is limited from hazardous velocities. The momentum of R2's five safety nodes (each of the four end-effectors and the body) is monitored and compared to a single momentum limit. If any of the five nodes exceeds the safety limit, the motor power is removed and the robot comes to a stop. Momentum control/limiting also provides a simple, reliable method to integrate hand held tools into the safety system by providing the tool mass to the control system thus automatically reducing the allowable velocity of the end-effector with the tool. Work on the ground continues to build the skill set for an EVA Robonaut. Recent experiments (Figure 2) demonstrate how a teleoperator can use R2 to manipulate a tether hook, an important safety precaution on spacewalks. Another task displayed Robonaut's ability to pull back a protective jacket over a hose and search for damage, as well as inspect a quick-disconnect fitting for debris. Demonstrations such as these are indicative of EVA work done on ISS, specifically seen during a series of spacewalks over 2012 and 2013 where astronauts searched for an ammonia leak in one of the external cooling loops. Through experiments both on ISS and on the ground, R2 is evolving and providing the information needed to plan out the upgrades that will make an EVA Robonaut an effective tool. With the addition of legs, R2 will start climbing inside the space station and supply invaluable information on how the climbing strategies and task stabilization techniques must be refined. Ground R2 systems will continue to work with additional EVA tools and equipment in preparation for onboard IVA testing and future EVA applications.

Diftler, Myron↗
DOE OSTI2017

High-Throughput Combinatorial Development of High-Entropy Alloys For Light-Weight Structural Applications

The primary limitation of today’s lightweight structural alloys is that specific yield strengths (SYS) higher than 200MPa x cc/g (typical value for titanium alloys) are extremely difficult to achieve. This holds true especially at a cost lower than 5dollars/kg (typical value for magnesium alloys). Recently, high-entropy alloys (HEA) have shown promising SYS, yet the large composition space of HEA makes screening compositions complex and time-consuming. Over the course of this 2-year project we started from 150 billion compositions and reduced the number of potential low-density (<5g/cc), low-cost (<5dollars/kg) high-entropy alloy (LDHEA) candidates that are single-phase, disordered, solid-solution (SPSS) to a few thousand compositions. This was accomplished by means of machine learning to guide design for SPSS LDHEA based on a combination of recursive partitioning, an extensive, experimental HEA database compiled from 24 literature sources, and 91 calculated parameters serving as phenomenological selection rules. Machine learning shows an accuracy of 82% in identifying which compositions of a separate, smaller, experimental HEA database are SPSS HEA. Calculation of Phase Diagrams (CALPHAD) shows an accuracy of 71-77% for the alloys supported by the CALPHAD database, where 30% of the compiled HEA database is not supported by CALPHAD. In addition to machine learning, and CALPHAD, a third tool was developed to aid design of SPSS LDHEA. Phase diagrams were calculated by constructing the Gibbs-free energy convex hull based on easily accessible enthalpy and entropy terms. Surprisingly, accuracy was 78%. Pursuing these LDHEA candidates by high-throughput experimental methods resulted in SPSS LDHEA composed of transition metals (e.g. Cr, Mn, Fe, Ni, Cu) alloyed with Al, yet the high concentration of Al, necessary to bring the mass density below 5.0g/cc, makes these materials hard and brittle, body-centered-cubic (BCC) alloys. A related, yet multi-phase BCC alloy, based on Al-Cr-Fe-Ni, shows compressive strain >10% and specific compressive yield strength of 229 MPa x cc/g, yet does not show ductility in tensile tests due to cleavage. When replacing Cr in Al-Cr-Fe-based 4- and 5-element LDHEA with Mn, hardness drops 2x. Combined with compression test results, including those on the ternaries Al-Cr-Fe and Al-Mn-Fe suggest that Al-Mn-Fe-based LDHEA are still worth pursuing. These initial results only represent one compressive stress-strain curve per composition without any property optimization. As such, reproducibility needs to be followed by optimization to show their full potential. When including Li, Mg, and Zn, single-phase Li-Mg-Al-Ti-Zn LDHEA has been found with a specific ultimate compressive strength of 289MPa x cc/g. Al-Ti-Mn-Zn showed a specific ultimate compressive strength of 73MPa x cc/g. These initial results after hot isostatic pressing (HIP) of the ball-milled powders represent the lower end of what is possible, since no secondary processing (e.g. extrusion) has been performed to optimize strength and ductility. Compositions for multi-phase (e.g. dual-phase) LDHEA were identified largely by automated searches through CALPHAD databases, while screening for large face-centered-cubic (FCC) volume fractions, followed by experimental verification. This resulted in several new alloys. Li-Mg-Al-Mn-Fe and Mg-Mn-Fe-Co ball-milled powders upon HIP show specific ultimate compressive strengths of 198MPa x cc/g and 45MPa x cc/g, respectively. Several malleable quarternary Al-Zn-based alloys have been found upon arc/induction melting, yet with limited specific compressive yield strength (<75 MPa x cc/g). These initial results are all without any optimization for strength and/or ductility. High-throughput experimentation allowed us to triple the existing experimental HEA database as published in the past 10 years in less than 2 years which happened at a rate 10x higher than previous methods. Furthermore, we showed that high-throughput thin-film combinatorial methods can be used to get insight in isothermal phase diagram slices. Although it is straightforward to map hardness as a function of composition for sputtered, thin-film, compositional gradients by nano-indentation and compare the results to micro-indentation on bulk samples, the simultaneous impact of composition, roughness, film density, and microstructure on hardness requires monitoring all these properties as a function of location on the compositional gradient, including dissecting the impact of these 4 factors on the hardness map. These additional efforts impact throughput significantly. This work shows that a lot of progress has been made over the years in predicting phase formation that aids the discovery of new alloys, yet that a lot of work needs to be done to predict phases more accurately for LDHEA, whether done by CALPHAD or by other means. More importantly, more work needs to be done to predict mechanical properties of novel alloys, like yield strength, and ductility. Furthermore, this work shows that there is a need for the generation of an empirical alloy database covering strategic points in a multi-dimensional composition space to allow for faster and more accurate predictive interpolations to identify the oasis in the dessert more quickly. Finally, this work suggests that it is worth pursuing a ductile alloy with a SYS > 300 MPa x cc/g in a mass density range of 6-7 g/cc, since the chances for a single-phase or majority-phase FCC increase significantly. Today’s lightweight steels are in this density range.

36 MATERIALS SCIENCE↗