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BETO 2021 Peer Review - Advanced Catalyst Synthesis and Characterization (ACSC) Project WBS 2.5.4.304; 303; 305

The Advanced Catalyst Synthesis and Characterization (ACSC) project, in close collaboration with the Chemical Catalysis for Bioenergy (ChemCatBio) Consortium enabling projects, CatCost, and the Engineering of Catalyst Scale-Up project, (1) provides fundamental insight into working catalysts leading to actionable recommendations for all of the ChemCatBio catalysis projects, (2) addresses overarching catalysis challenges central to the ChemCatBio Consortium, and (3) adapts and applies new synthesis methodologies and in situ/operando characterization capabilities to meet the evolving needs of the catalysis projects. The outcome is a transition from empirical catalyst development to rational design through the prediction of materials with targeted properties based on advanced characterization combined with computational modeling, and the synthesis of next generation catalysts with predicted structures that yield demonstrated improvements in catalytic performance. In FY18, the ACSC helped to demonstrate the utility of the complete catalyst and process development cycle for dimethyl ether to high-octane gasoline over metal-modified zeolite catalysts for the Upgrading of C1 Building Blocks project, and in FY21 will leverage capabilities, expertise, and computational models established for this effort to target next-generation catalysts for ethanol to distillates for the Upgrading of C2 Intermediates project with enhanced performance in half the time.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Challenges and Optimization of Mu2e Proton Target Design with Radiative Cooling

Mu2e, the Muon-to-Electron Conversion Experiment, aims to identify physics beyond the Standard Model, namely, the conversion of muons to electrons without the emission of neutrinos. The muons are produced from pions generated in a production target when it is hit by an 8 GeV proton beam from the Fermilab Booster/Main Injector. The proton target design space is strongly constrained by a one-year operating lifetime and the need for radiative cooling in a vacuum environment. Uncertainties in the lifetime of the existing baseline design – a monolithic, segmented tungsten target – are large, particularly due to unknown impacts of radiation damage at the very high proton fluences expected in the experiment. We have begun evaluation of a new design utilizing Inconel 718 over the WL10 used in the existing target design. As a result, the structural design of the target has evolved significantly. This evolution focuses on lowering the target temperature, minimizing obstruction to muons, increasing structural stability, maximizing fatigue lifetime, simplifying the fabrication process, and more. The thermal management, structural stability and fatigue lifetime are emphasized here. These optimizations have led to a promising new target design for the Mu2e experiment.

Liu, Z. [Fermilab]↗

AstraAI v1

AstraAI is an open-source, structure-aware AI coding agent designed for large scientific and DOE-HPC codebases such as AMReX-based applications. Unlike general-purpose coding assistants, AstraAI combines retrieval-augmented generation (RAG) with compiler-level Abstract Syntax Tree (AST) analysis to perform precise, scope-constrained code modifications. It identifies exact function spans, enforces locality of edits, and maintains cross-file invariants, enabling deterministic and build-safe transformations in complex C++/GPU environments. AstraAI is intended for developers working on large, evolving HPC frameworks where correctness, reproducibility, and structural integrity are critical. Typical use cases include modifying physics kernels, updating GPU device lambdas, and performing multi-file refactors without breaking compilation or runtime semantics. Compared to conventional LLM-based coding agents - even those with repository access - AstraAI provides structural guarantees rather than free-form text patches. It minimizes unintended diffs, prevents scope drift, preserves formatting and build stability, and reduces structural hallucinations. By integrating compiler tooling directly into the generation loop, AstraAI transforms AI-assisted coding from probabilistic text editing into deterministic, structure-preserving program transformation suitable for mission-critical scientific software.

Natarajan, Mahesh [Lawrence Berkeley National Labo↗

Next-Generation Performance-Based Regulation. Volume 1: Introduction - Global Lessons for Success; Volume 2: Primer - Essential Elements of Design and Implementation; Volume 3: Innovative Examples from Around the World

Performance-based regulations (PBRs) provide a regulatory framework to connect goals, targets, and measures to utility performance or executive compensation. Well-designed PBRs provide incentives for utility performance, benefiting consumers and utility owners alike. This report considers the role of both PBRs and more discrete performance incentive mechanisms (PIMs) in 21st century power sector transformation. Innovative technologies are transforming the way electricity is generated, delivered, and consumed. PBRs have the potential to realign utility, investor, and consumer incentives and mitigate emerging challenges to the utility business model, renewable integration, and even cyber security.The goals of PBRs in the form of multi-year rate plans are in many respects the same in terms of providing reasonably priced and reliable service to customers. However, today's technologies have changed, and there is more emphasis on clean energy. Thus, the pathways and the potential outcomes are different than they were in the 20th century when centralized generator stations and large infrastructure additions dominated the utility landscape. Given unprecedented changes underway in the electricity sector, PBRs - by specifying expectations of utility performance and outcomes for consumers, while staying agnostic to the exact means of delivery - constitute a form of prescient regulation that harnesses disruption. PBRs are one tool in a broader toolbox in the transition toward flexible regulatory and market structures that rewards utilities that adapt or evolve in reaction to market and technology change. PBRs and PIMs have great value for the electric industry when designed well and can be applied to many different situations. How exactly PBR mechanisms are most effectively enacted will vary based on the utility ownership model, institutional arrangements, and a variety of other local factors. PBRs should be tailored to the needs and goals of each jurisdiction, and perhaps each utility, to most effectively achieve the needs of a 21st century power grid in that jurisdiction. Presented in three volumes, this report highlights the lessons learned from their evolving history, explores essential elements of their design and implementation as well as considerations for how they may be best applied, and examines leading examples of PBRs from the United Kingdom, New York, Denmark, Mexico, and South Africa. The full report, 'Next-Generation Performance Based Regulation - Emphasizing Utility Performance to Unleash Power Sector Innovation,' published in September 2017, can be accessed at https://www.nrel.gov/docs/fy17osti/68512.pdf.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Space shuttle SRM interim contract, part 1

Essential studies and analyses required to integrate the SRM into the booster and overall space shuttle system. Emphasis was placed on the case, nozzle, insulation, and propellant components with resulting performance, weight, and structural load characteristics being generated. Effort conducted during the time period of this contract included studies, analyses, planning, and preliminary design activities. Technical requirements identified in the SRM Project Request for Proposal No. 8-1-4-94-98401 and Thiokol's proposed SRM design (designated Configuration 0) established the basis for this effort. The requirements were evaluated jointly with MSFC and altered where necessary to incorporate new information that evolved after issuance of the RFP and during the course of this interim contract. Revised water impact loads and load distributions were provided based on additional model test data and analytical effort conducted by NASA subsequent to the RFP release. Launch pad peaking loads into the SRM aft skirt were provided which also represented a change from RFP requirements. A modified SRM/External Tank (ET) attachment configuration with new structural load data was supplied by NASA, and direction was received to include a 2 percent inert weight contingency.

Source record↗

The 1st generation low cost point focus solar concentrator

A point focus solar concentrator that, given a high volume of production, will optimize the ratio of performance to cost is considered. The concentrator design approach has evolved by a systematic process of examining the operating requirements particular to the solar application, minimizing material content through detail structural design and structurally efficient subsystem features, and utilizing materials and processes compatible with high volume production techniques. The design approach, the rationale for the configuration and subsystem selections, and the development status are described.

Zimmerman, J.↗

Woven TPS - A New Approach to TPS Design and Manufacturing

NASA's Office of the Chief Technologist (OCT) Game Changing Division recently funded an effort to advance a Woven TPS (WTPS) concept. WTPS is a new approach to producing TPS materials that uses precisely engineered 3D weaving techniques to customize material characteristics needed to meet specific missions requirements for protecting space vehicles from the intense heating generated during atmospheric entry. Using WTPS, sustainable, scalable, mission-optimized TPS solutions can be achieved with relatively low life cycle costs compared with the high costs and long development schedules currently associated with material development and certification. WTPS leverages the mature state-of-the-art weaving technology that has evolved from the textile industry to design TPS materials with tailorable performance by varying material composition and properties via the controlled placement of fibers within a woven structure. The resulting material can be designed to perform optimally for a wide range of entry conditions encompassing NASAs current and future mission needs. WTPS enables these optimized TPS designs to be translated precisely into mission-specific, manufactured materials that can substantially increase the efficiency, utility, and robustness of heat shield materials compared to the current state-of-the-art material options. By delivering improved heat shield performance and affordability, this technology will impact all future exploration missions, from the robotic in-situ science missions to Mars, Venus and Saturn to the next generation of human missions. WTPS can change the way NASA develops, certifies, and integrates TPS into mission life cycles - instead of being a mission constraint, TPS will become a mission enabler. It is anticipated that WTPS will have direct impact on SMD, HEOMD and OCT and will be of interest for DoD and COTS applications. This presentation will overview the WTPS concept and present some results from initial testing completed.

Feldman, Jay↗

Turbo‐charging crop improvement: harnessing multiplex editing for polygenic trait engineering and beyond

Multiplex CRISPR editing has emerged as a transformative platform for plant genome engineering, enabling the simultaneous targeting of multiple genes, regulatory elements, or chromosomal regions. This approach is effective for dissecting gene family functions, addressing genetic redundancy, engineering polygenic traits, and accelerating trait stacking and de novo domestication. Its applications now extend beyond standard gene knockouts to include epigenetic and transcriptional regulation, chromosomal engineering, and transgene‐free editing. These capabilities are advancing crop improvement not only in annual species but also in more complex systems such as polyploids, undomesticated wild relatives, and species with long generation times. At the same time, multiplex editing presents technical challenges, including complex construct design and the need for robust, scalable mutation detection. We discuss current toolkits and recent innovations in vector architecture, such as promoter and scaffold engineering, that streamline workflows and enhance editing efficiency. High‐throughput sequencing technologies, including long‐read platforms, are improving the resolution of complex editing outcomes such as structural rearrangements—often missed by standard genotyping—when targeting repetitive or tandemly spaced loci. To fully realize the potential of multiplex genome engineering, there is growing demand for user‐friendly, synthetic biology‐compatible, and scalable computational workflows for gRNA design, construct assembly, and mutation analysis. Experimentally validated inducible or tissue‐specific promoters are also highly desirable for achieving spatiotemporal control. As these tools continue to evolve, multiplex CRISPR editing is poised to become a foundational technology of next‐generation crop improvement to address challenges in agriculture, sustainability, and climate resilience.

59 BASIC BIOLOGICAL SCIENCES↗

The Outer Rim Simulation: A Path to Many-core Supercomputers

Herein we describe the Outer Rim cosmological simulation, one of the largest high-resolution N-body simulations performed to date, aimed at promoting science to be carried out with large-scale structure surveys. The simulation covers a volume of (4.225 Gpc) 3 and evolves more than one trillion particles. It was executed on Mira, a BlueGene/Q system at the Argonne Leadership Computing Facility. We discuss some of the computational challenges posed by a system such as Mira, a many-core supercomputer, and how the simulation code, Hardware/Hybrid Accelerated Cosmology Code, has been designed to overcome these challenges. We have carried out a large range of analyses on the simulation data and we report on the results as well as the data products that have been generated. The full data set generated by the simulation totals more than 5 PB of data, making curation and handling of the data a large challenge in itself. The simulation results have been used to generate synthetic catalogs for large-scale structure surveys, including Dark Energy Spectroscopic Instrument and eBOSS, as well as experiments on the cosmic microwave background. A detailed catalog for the data challenges of the Large Synoptic Survey Telescope Dark Energy Science Collaboration has been created as well. We publicly release some of the Outer Rim halo catalogs, downsampled particle information, and lightcone data.

79 ASTRONOMY AND ASTROPHYSICS↗

Design Protocols and Analytical Strategies that Incorporate Structural Reliability Models

Ceramic matrix composites (CMC) and intermetallic materials (e.g., single crystal nickel aluminide) are high performance materials that exhibit attractive mechanical, thermal, and chemical properties. These materials are critically important in advancing certain performance aspects of gas turbine engines. From an aerospace engineers perspective the new generation of ceramic composites and intermetallics offers a significant potential for raising the thrust/weight ratio and reducing NO(sub x) emissions of gas turbine engines. These aspects have increased interest in utilizing these materials in the hot sections of turbine engines. However, as these materials evolve and their performance characteristics improve a persistent need exists for state-of-the-art analytical methods that predict the response of components fabricated from CMC and intermetallic material systems. This need provided the motivation for the technology developed under this research effort. Continuous ceramic fiber composites exhibit an increase in work of fracture, which allows for 'graceful' rather than catastrophic failure. When loaded in the fiber direction these composites retain substantial strength capacity beyond the initiation of transverse matrix cracking despite the fact that neither of its constituents would exhibit such behavior if tested alone. As additional load is applied beyond first matrix cracking, the matrix tends to break in a series of cracks bridged by the ceramic fibers. Any additional load is born increasingly by the fibers until the ultimate strength of the composite is reached. Thus modeling efforts supported under this research effort have focused on predicting this sort of behavior. For single crystal intermetallics the issues that motivated the technology development involved questions relating to material behavior and component design. Thus the research effort supported by this grant had to determine the statistical nature and source of fracture in a high strength, NiAl single crystal turbine blade material; map a simplistic future strength envelope of the material; develop a statistically based reliability computer algorithm; verify the reliability model and computer algorithm-, and model stator vanes for rig tests. Thus establishing design protocols that enable the engineer to analyze and predict the mechanical behavior of ceramic composites and intermetallics would mitigate the prototype (trial and error) approach currently used by the engineering community. The primary objective of the research effort supported by this short term grant is the continued creation of enabling technologies for the macro-analysis of components fabricated from ceramic composites and intermetallic material systems. The creation of enabling technologies aids in shortening the product development cycle of components fabricated from the new high technology materials.

Duffy, Stephen F.↗

Design Protocols and Analytical Strategies that Incorporate Structural Reliability Models

Ceramic matrix composites (CMC) and intermetallic materials (e.g., single crystal nickel aluminide) are high performance materials that exhibit attractive mechanical, thermal and chemical properties. These materials are critically important in advancing certain performance aspects of gas turbine engines. From an aerospace engineer's perspective the new generation of ceramic composites and intermetallics offers a significant potential for raising the thrust/weight ratio and reducing NO(x) emissions of gas turbine engines. These aspects have increased interest in utilizing these materials in the hot sections of turbine engines. However, as these materials evolve and their performance characteristics improve a persistent need exists for state-of-the-art analytical methods that predict the response of components fabricated from CMC and intermetallic material systems. This need provided the motivation for the technology developed under this research effort. Continuous ceramic fiber composites exhibit an increase in work of fracture, which allows for "graceful" rather than catastrophic failure. When loaded in the fiber direction, these composites retain substantial strength capacity beyond the initiation of transverse matrix cracking despite the fact that neither of its constituents would exhibit such behavior if tested alone. As additional load is applied beyond first matrix cracking, the matrix tends to break in a series of cracks bridged by the ceramic fibers. Any additional load is born increasingly by the fibers until the ultimate strength of the composite is reached. Thus modeling efforts supported under this research effort have focused on predicting this sort of behavior. For single crystal intermetallics the issues that motivated the technology development involved questions relating to material behavior and component design. Thus the research effort supported by this grant had to determine the statistical nature and source of fracture in a high strength, NiAl single crystal turbine blade material; map a simplistic failure strength envelope of the material; develop a statistically based reliability computer algorithm, verify the reliability model and computer algorithm, and model stator vanes for rig tests. Thus establishing design protocols that enable the engineer to analyze and predict the mechanical behavior of ceramic composites and intermetallics would mitigate the prototype (trial and error) approach currently used by the engineering community. The primary objective of the research effort supported by this short term grant is the continued creation of enabling technologies for the macroanalysis of components fabricated from ceramic composites and intermetallic material systems. The creation of enabling technologies aids in shortening the product development cycle of components fabricated from the new high technology materials.

Duffy, Stephen F.↗

A Study of Penalty Function Methods for Constraint Handling with Genetic Algorithm

COMETBOARDS (Comparative Evaluation Testbed of Optimization and Analysis Routines for Design of Structures) is a design optimization test bed that can evaluate the performance of several different optimization algorithms. A few of these optimization algorithms are the sequence of unconstrained minimization techniques (SUMT), sequential linear programming (SLP) and the sequential quadratic programming techniques (SQP). A genetic algorithm (GA) is a search technique that is based on the principles of natural selection or "survival of the fittest". Instead of using gradient information, the GA uses the objective function directly in the search. The GA searches the solution space by maintaining a population of potential solutions. Then, using evolving operations such as recombination, mutation and selection, the GA creates successive generations of solutions that will evolve and take on the positive characteristics of their parents and thus gradually approach optimal or near-optimal solutions. By using the objective function directly in the search, genetic algorithms can be effectively applied in non-convex, highly nonlinear, complex problems. The genetic algorithm is not guaranteed to find the global optimum, but it is less likely to get trapped at a local optimum than traditional gradient-based search methods when the objective function is not smooth and generally well behaved. The purpose of this research is to assist in the integration of genetic algorithm (GA) into COMETBOARDS. COMETBOARDS cast the design of structures as a constrained nonlinear optimization problem. One method used to solve constrained optimization problem with a GA to convert the constrained optimization problem into an unconstrained optimization problem by developing a penalty function that penalizes infeasible solutions. There have been several suggested penalty function in the literature each with there own strengths and weaknesses. A statistical analysis of some suggested penalty functions is performed in this study. Also, a response surface approach to robust design is used to develop a new penalty function approach. This new penalty function approach is then compared with the other existing penalty functions.

Ortiz, Francisco↗

Propellant-Less Spacecraft Formation-Flying and Maneuvering with Photonic Laser Thrusters

The present NIAC Phase II program explored an amplified photon thruster, Photonic Laser Thruster (PLT), as a means of enabling unprecedented maneuverability of small spacecraft, such as cubesats, and reducing space system SWaP for future NASA missions and other commercial and DoD space endeavors. In addition to its propellantless operation capability, PLT can provide orders of magnitude more precise controls in thrust magnitude and vector than conventional thrusters. Furthermore, PLT promises to enable innovative CONOPS (Concept of Operations) to change how some NASA missions are conceived and to represent a revolutionary departure from the "all-in-one" single-spacecraft approach, where a primary factor that dominates spacecraft design is a heavy and risk-intolerant mission-critical payload. Instead, the PLT CONOPS has evolved from a different path based on interbody dynamics via thrust and power beaming. As interbody atomic dynamics unfolds completely new classes of molecular structures that cannot be formed by solo acting atoms alone, the PLT interbody dynamics is predicted to unfold unprecedented multibody spacecraft structures. Therefore, the revolutionary path of the PLT CONOPS represents a technology push rather than a mission pull, and will enable an entirely new generation of planetary, heliospheric, and Earth-centric missions. The chief accomplishments of the present Phase II program are: 1) achievement of photon thrust up to 3.5 mN (100 times scaling up of Phase I PLT) and amplification factor up to 1,500 (15 times enhancement of Phase I PLT), 2) laboratory demonstration of propelling, slowing and stopping a 1U cubesat on an air track with PLT, 3) proof of feasibility on persistent out-of-plane formation flying with PLT in simulation studies, 4) preliminary SolidWorks designs of 1-mN class PLT, 5) establishment of SWaP for flight-ready PLT, 6) designs for proof-ofconcept missions of precision formation flying with cubesats, 7) definition of PLT-based NASA missions, such as Virtual Telescope. In sum, the present study conclusively demonstrated the potential of PLT to revolutionize future space endeavors by drastically enhancing maneuverability of spacecraft, reducing future space system SWaP by exploiting small spacecraft multi-system, and enabling innovative CONOPS.

Bae, Young K.↗

Generative Design and Digital Manufacturing: Using AI and Robots to Build Lightweight Instruments

Digital Engineering technologies are transforming long-stagnant development processes by applying the tremendous advancements in Information Technology (IT) to classical engineering tasks such as design, analysis, and fabrication of space-flight instrument structures. Generative Design leverages developments in Artificial Intelligence (AI) and Cloud computing to enable a paradigm shift in the design process, allowing the engineer to focus on defining the requirements and objectives of the design while AI generates optimized designs which comply with the input requirements. Digital Manufacturing allows these complex lightweight designs to be efficiently manufactured by directly fabricating from the resulting 3D models. The development of these two Digital Engineering technologies realizes significant mass savings while simultaneously reducing structure development time from months to days. This paper describes the development of the Evolved Structures process applying these technologies to spaceflight optical instrument structures including an example demonstrating greater than 10x reduction in development time/cost and greater than 3x improvement in structural performance.

Ryan McClelland↗

LARC-13 polyimide adhesive bonding

The development of an addition-curing polyimide adhesive suitable for low pressure bonding without the generation of volatiles during cure is reported. LARC-13 is designed for bonding of polyimide matrix composites and of titanium to be used above 500 F, and is based on an oligomeric bis-nadimide which allows its processing at 50 psi or less, making it suitable for the bonding of fragile honeycomb sandwich structures. Few volatiles are evolved during its cure allowing large enclosed structures to be bonded, and it has high room and elevated temperature strengths and good strength retention after short terms up to 1100 F. LARC-13 was successfully used to bond the outer and inner skins of a polyimide/graphite wing shear panel for 500 F use, and for a short-term exposure up to 1100 F. Preparation of the adhesive, bonding, aging, and testing of lap shear and honeycomb samples are discussed.

Saint Clair, T. L.↗

A Perspective into Operando Methods for Probing Catalytic Interfaces

Rational design of electrocatalysts for (photo)electrochemical (PEC) processes like hydrogen and oxygen evolution and CO2 reduction reactions is aided by the recent improvements in capabilities of operando measurements, where morphology, composition, and/or function are probed during active catalysis. Through operando microscopy and spectroscopy, structure, catalytic microenvironment, oxidation state, adsorbates, and products can be measured to gain a better understanding of catalyst behavior and suggest possible improvements. Visualizing evolving catalyst morphologies, surface compositions, and electrochemical behavior also helps address many fundamental research questions for a better understanding of catalytic mechanisms. Correlating morphology with chemical identity or functional behavior using a variety of innovative microscopy methods is particularly promising for guiding development of next generation catalysts, and there are also many recent examples of using AI and robotics tools to innovate and speed development. In this Perspective, advances made over the past few years in operando imaging of catalysts relevant to solar fuels will be explored, followed by an outlook on technological developments in instrumentation, sample design, and computational power that may be applied to this field.

Catalysts↗

Towards Evolving Electronic Circuits for Autonomous Space Applications

The relatively new field of Evolvable Hardware studies how simulated evolution can reconfigure, adapt, and design hardware structures in an automated manner. Space applications, especially those requiring autonomy, are potential beneficiaries of evolvable hardware. For example, robotic drilling from a mobile platform requires high-bandwidth controller circuits that are difficult to design. In this paper, we present automated design techniques based on evolutionary search that could potentially be used in such applications. First, we present a method of automatically generating analog circuit designs using evolutionary search and a circuit construction language. Our system allows circuit size (number of devices), circuit topology, and device values to be evolved. Using a parallel genetic algorithm, we present experimental results for five design tasks. Second, we investigate the use of coevolution in automated circuit design. We examine fitness evaluation by comparing the effectiveness of four fitness schedules. The results indicate that solution quality is highest with static and co-evolving fitness schedules as compared to the other two dynamic schedules. We discuss these results and offer two possible explanations for the observed behavior: retention of useful information, and alignment of problem difficulty with circuit proficiency.

Lohn, Jason D.↗

Best of Breed

No team of engineers, no matter how much time they took or how many bottles of cabernet they consumed, would dream up an antenna that looked like a deer antler on steroids. Yet that's what a group at NASA Ames Research Center came up with-thanks to a little help from Darwin. NASA's Space Technology 5 nanosatellites, which are scheduled to start measuring Earth's magnetosphere in late 2004, requires an antenna that can receive a wide range of frequencies regardless of the spacecraft's orientation. Rather than leave such exacting requirements in the hands of a human, the engineers decided to breed a design using genetic algorithms and 32 Linux PCs. The computers generated small antenna-constructing programs (the genotypes) and executed them to produce designs (the phenotypes). Then the designs were evaluated using an antenna simulator. The team settled on the form pictured here. You won't find this kind of antenna in any textbook, design guide, or research paper. But its innovative structure meets a challenging set of specifications. If successfully deployed, it will be the first evolved antenna to make it out of the lab and the first piece of evolved hardware ever to fly in space.

Lohn, Jason↗