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DOE OSTI2024

Hierarchical Self‐Assembly of Multidimensional Functional Materials from Sequence‐Defined Peptoids

Abstract Hierarchical self‐assembly represents a powerful strategy for the fabrication of functional materials across various length scales. However, achieving precise formation of functional hierarchical assemblies remains a significant challenge and requires a profound understanding of molecular assembly interactions. In this study, we present a molecular‐level understanding of the hierarchical assembly of sequence‐defined peptoids into multidimensional functional materials, including twisted nanotube bundles serving as a highly efficient artificial light harvesting system. By employing synchrotron‐based powder X‐ray diffraction and analyzing single crystal structures of model compounds, we elucidated the molecular packing and mechanisms underlying the assembly of peptoids into multidimensional nanostructures. Our findings demonstrate that incorporating aromatic functional groups, such as tetraphenyl ethylene (TPE), at the termini of assembling peptoid sequences promotes the formation of twisted bundles of nanotubes and nanosheets, thus enabling the creation of a highly efficient artificial light harvesting system. This research exemplifies the potential of leveraging sequence‐defined synthetic polymers to translate microscopic molecular structures into macroscopic assemblies. It holds promise for the development of functional materials with precisely controlled hierarchical structures and designed functions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Achieving the hydrogen shot: Interrogating ionomer interfaces

The aim of this study is to enable the hydrogen economy and decarbonize various sectors in our environment that requires less expensive and more durable water electrolyzers, which can meet the Hydrogen-Shot target. The key is to improve the ionomer interfaces in low-temperature water electrolyzers as rapidly as possible, but to do so, it requires a systematic and holistic campaign combining both experiments and theory. In this perspective, we discuss the issues of electrolyzers and needs for translational science. We then present the approach that the Energy EarthShot Research Center: Center for Ionomer-based Water Electrolysis is taking in hopes of inspiring the community with this approach that can be leveraged to multiple problems and technologies.Graphical abstractHighlightsOne way to achieve the Hydrogen-Shot goal of low-cost, clean hydrogen, is advancing research and development on the interfaces of water electrolyzers for both performance and lifetime. The Center for Ionomer-based Water Electrolysis is exploring new techniques and strategies to not only interrogate interfacial phenomena in water electrolyzers to increase efficiency and durability, but also a new paradigm related to synergistic, cojoined experimental and theoretical research.DiscussionCatalyst\ionomer interfaces are complex and not fully understood, but through investigating different interfaces and utilizing digital and physical twins, we can elucidate key mechanisms and understanding.Understanding the dynamic double layer in electrochemical systems that use solid electrolytes is crucial to identifying and mitigating the controlling phenomena to enable increased performance and durability at the technology level.Studying the time and length scales of interfacial changes can be a powerful tool to understand reaction mechanisms and changes in the electrolyzer performance and durability.

Fornaciari, Julie C↗

DOE OSTI2024

A Full-Stack Exploration of Language-Based Parallelism in Fortran 2023

This poster explores native parallel features in Fortran 2023 through the lens of supporting applications with libraries, compilers, and parallel runtimes. The language revision informally named Fortran 2008 introduced parallelism in the form of Single Program Multiple Data (SPMD) execution with two broad feature sets: (1) loop-level parallelism via do concurrent and (2) a Partitioned Global Address Space (PGAS) comprised of distributed “coarray” data structures. Fortran’s native parallelism has demonstrated high performance [1] and reduced the burden of inserting what sometimes amounts to more directives than code. Several compilers support both feature sets, typically by translating do concurrent into serial do loops annotated by parallel directives and by translating SPMD/PGAS features into direct calls to a communication library. Our research focuses primarily on two questions: (1) can the compiler’s parallel runtime library be developed in the language being compiled (Fortran) and (2) can we define an interface to the runtime that liberates compilers from being hardwired to one runtime and vice versa. We are answering these questions by developing the Parallel Runtime Interface for Fortran (PRIF) [2] and the Co-Array Fortran Framework of Efficient Interfaces to Network Environments (Caffeine) [3]. Caffeine is initially targeting adoption by LLVM Flang, a new open-source Fortran compiler developed by a broad community in industry, academia, and government labs. We are also exploring the use of these features in Inference-Engine, a deep learning library designed to facilitate neural network training and inference for high-performance computing applications written in modern Fortran.

Rasmussen, Katherine↗

NASA NTRS2004

A Design of Experiments Approach Defining the Relationships Between Processing and Microstructure for Ti-6Al-4V

A study was conducted to evaluate the relative significance of input parameters on Ti- 6Al-4V deposits produced by an electron beam free form fabrication process under development at the NASA Langley Research Center. Five input parameters where chosen (beam voltage, beam current, translation speed, wire feed rate, and beam focus), and a design of experiments (DOE) approach was used to develop a set of 16 experiments to evaluate the relative importance of these parameters on the resulting deposits. Both single-bead and multi-bead stacks were fabricated using 16 combinations, and the resulting heights and widths of the stack deposits were measured. The resulting microstructures were also characterized to determine the impact of these parameters on the size of the melt pool and heat affected zone. The relative importance of each input parameter on the height and width of the multi-bead stacks will be discussed. .

Wallace, Terryl A.↗

NASA NTRS2017

It's Only a Phase: Applying the 5 Phases of Clinical Trials to the NSCR Model Improvement Process

NASA limits astronaut radiation exposures to a 3% risk of exposure-induced death from cancer (REID) at the upper 95% confidence level. Since astronauts approach this limit, it is important that the estimate of REID be as accurate as possible. The NASA Space Cancer Risk 2012 (NSCR-2012) model has been the standard for NASA's space radiation protection guidelines since its publication in 2013. The model incorporates elements from U.S. baseline statistics, Japanese atomic bomb survivor research, animal models, cellular studies, and radiation transport to calculate astronaut baseline risk of cancer and REID. The NSCR model is under constant revision to ensure emerging research is incorporated into radiation protection standards. It is important to develop guidelines, however, to determine what new research is appropriate for integration. Certain standards of transparency are necessary in order to assess data quality, statistical quality, and analytical quality. To this effect, all original source code and any raw data used to develop the code are required to confirm there are no errors which significantly change reported outcomes. It is possible to apply a clinical trials approach to select and assess the improvement concepts that will be incorporated into future iterations of NSCR. This poster describes the five phases of clinical trials research, pre-clinical research, and clinical research phases I-IV, explaining how each step can be translated into an appropriate NSCR model selection guideline.

Elgart, S. R.↗

NASA NTRS2021

The Acoustic Air-Jet Generator

This paper describes the development history, operation, and working principle of an acoustic air-jet generator, which can be used to produce high intensity, high frequency acoustic waves. Flow imaging experiments of the system are shown, and applications of the system for various fluid flows are presented. While previous articles on this system have been written in English by the author, this article provides the only documented explanation and implementation of the focusing schlieren system used for flow imaging of the system. This paper has been cited in early works on focusing schlieren as one of the first implementations of such a system, but has not been widely cited in the bulk of the literature on the focusing schlieren method (aside from a more recent M.S. thesis), perhaps due to the difficulty of accessing the paper or that no translation was available. The purpose of this translation is to provide an English version of the article for researchers interested in this work of Dr. Hartmann, and in particular the description of his focusing schlieren system and its application.

Julius Hartmann↗

DOE OSTI2026

Advancing representations of equity and justice in climate mitigation futures

THIS PAPER WAS PRIMARILY COMPLETED PRIOR TO THE AUTHOR JOINING PNNL AND NO DOE FUNDING WAS USED FOR THIS PAPER. In this work, we review how equity and justice issues in global climate mitigation scenarios are addressed within Integrated Assessment Models (IAMs) and propose a new research agenda to strengthen their integration in model development and application. We begin by examining prominent concerns at the science-policy interface. We introduce a typology of equity and justice limitations in climate mitigation scenarios, distinguishing among structural, methodological, and epistemological biases that shape what integrated assessment models can reveal at policy-relevant scales. Reflecting on these concerns, we propose a research agenda that describes new avenues of work and draws together distinct emerging initiatives. This agenda is based on the feasibility and depth of required interventions, from incremental improvements to structural reforms and alternative participatory approaches. Drawing on reflexive insights from integrated assessment practitioners, it addresses the operational challenges of translating justice concepts into metrics, including risks of reductionism, tokenism, and narrow definitions. Underlying this research agenda is a recognition that modeling communities must engage more critically with implicit assumptions in model design and use that have equity and justice implications. Achieving equitable climate futures will require transformative actions that integrate diverse justice concerns, advance sustainable development goals, and confront systemic inequities across both human and ecological dimensions. Although models will never capture all these aspects, they can be significantly enhanced to support more informed discussion and practical application. Our contribution proposes a way forward to achieving this goal.

Pachauri, Shonali↗

NASA NTRS2002

Spinoff 2002: Fortieth Anniversary Technology Utilization Program

Since its inception 40 years ago, NASA's Technology Transfer Program has led the way for our nation to benefit from cutting-edge aerospace technologies. In addition to contributing to U.S. economic growth, these technologies are improving the quality of life on Earth while finding new ways to protect and preserve it. NASA's research and development efforts have advanced areas in medicine, communications, manufacturing, computer technology, and homeland security. These breakthroughs, translated into commercial products, are enhancing the lives of Americans everywhere. When a congressional mandate led NASA to develop the Scientific and Technical Information (STI) Program, the Agency began a wide dissemination of its research and development results. In doing so, NASA recognized that many of its technologies were transferable to industry for the development of commercial products. As a result, the Technology Utilization Program was born in 1962. The successful program went through several changes over the years, as its philosophy, mission, and goals adapted into the Technology Transfer Program we know today. The program strives to make the latest technologies available to industry as soon as they are developed. Each year, NASA's Spinoff publication showcases new products and services resulting from commercial partnerships between NASA and private industry. In the 2002 issue, the NASA field centers reflect upon the growth that has made these innovations available to the public. The Research and Development section examines past achievements, current successes, and future goals for each of the ten NASA centers. The Commercial Benefits section proudly highlights 51 new spinoff products, including a heart pump for patients needing a heart transplant, as well as an air purifier that destroys anthrax spores. The Technology Transfer and Outreach section describes the outreach achievements and educational successes made possible through the NASA Commercial Technology Network. Each section of Spinoff 2002 provides compelling evidence of the Technology Transfer Program's success and value. With commercial products and successes spanning from work on the Apollo missions to the International Space Station, the 40th anniversary of the Technology Transfer Program invites us to celebrate our history while planning the future.

Source record↗

NASA NTRS1996

Moving base simulation evaluation of translational rate command systems for STOVL aircraft in hover

Using a generalized simulation model, a moving-base simulation of a lift-fan short takeoff/vertical landing fighter aircraft has been conducted on the Vertical Motion Simulator at Ames Research Center. Objectives of the experiment were to determine the influence of system bandwidth and phase delay on flying qualities for translational rate command and vertical velocity command systems. Assessments were made for precision hover control and for landings aboard an LPH type amphibious assault ship in the presence of winds and rough seas. Results obtained define the boundaries between satisfactory and adequate flying qualities for these design features for longitudinal and lateral translational rate command and for vertical velocity command.

Franklin, James A.↗

DOE OSTI2025

Janus Superiority of Membranes in Chemical Engineering and Beyond

Janus configurations, characterized by their inherent asymmetry, enable directional mass transfer in membrane materials that drive novel and energy-efficient chemical processes. This Janus superiority spans applications from nanoscale molecular and ionic transport to macro-scale separation systems with asymmetric spatial architectures. This review provides an analysis of the material foundations including design principles, structure regulation, and scalability challenges underlying Janus membranes. Here, we explore the physics that governs their unique behavior and examine their diverse applications across chemical engineering, including phase transfer, and molecular or ionic transport. Through a multiscale perspective, we provide a comprehensive understanding of the impact of Janus superiority in advancing chemical engineering technologies. Finally, we discuss the hurdles in translating theoretical advances into practical applications and propose promising avenues for future research to harness the full potential of Janus membranes and systems in addressing global challenges related to energy, sustainability, and beyond.

Yang, Hao‐Cheng [Zhejiang University, Hangzhou (Ch↗

DOE OSTI2022

Grand challenges in low temperature plasmas

Low temperature plasmas (LTPs) enable to create a highly reactive environment at near ambient temperatures due to the energetic electrons with typical kinetic energies in the range of 1 to 10 eV (1 eV = 11600K), which are being used in applications ranging from plasma etching of electronic chips and additive manufacturing to plasma-assisted combustion. LTPs are at the core of many advanced technologies. Without LTPs, many of the conveniences of modern society would simply not exist. New applications of LTPs are continuously being proposed. Researchers are facing many grand challenges before these new applications can be translated to practice. In this paper, we will discuss the challenges being faced in the field of LTPs, in particular for atmospheric pressure plasmas, with a focus on health, energy and sustainability.

atmospheric pressure plasmas↗

DOE OSTI2025

Synthesis of DOTA-Based 43 Sc Radiopharmaceuticals Using Cyclotron-Produced 43 Sc as Exemplified by [ 43 Sc]Sc-PSMA-617 for PSMA PET Imaging

The implementation of theranostics in oncologic nuclear medicine has exhibited immense potential in improving patient outcomes in prostate cancer with the implementation of [ 68 Ga]Ga-PSMA-11 PET and [ 177 Lu]Lu-PSMA-617 into clinical practice. However, the correlation between radiopharmaceutical biodistributions seen with [ 68 Ga]Ga-PSMA-11 PET imaging and downstream [ 177 Lu]Lu-PSMA-617 therapy remains imperfect. This suggests that prostate cancer theranostics could potentially be further refined through the implementation of true theranostics, tandem pairs of diagnostic and therapeutic radiopharmaceuticals that utilize the same ligand and element, thus yielding identical pharmacokinetics. The radioscandiums are one such group of true theranostic radiopharmaceuticals. The radioscandiums consist of two β+ emitting scandium isotopes ( 43 Sc/ 44 Sc), as well as a β − emitting therapeutic isotope ( 47 Sc), which can all conjugate with PSMA-targeting PSMA-617. This potential has led to extensive investigations into the production of the radioscandiums as well as pre-clinical assessments with several ligands; however, there is a lack of literature extensively describing the complete synthesis of scandium radiopharmaceuticals. which therefore limits the accessibility of radioscandium research in theranostics. As such, this work aims to present an easily translatable protocol for the synthesis of [ 43 Sc]Sc-PSMA-617 from a [ 42 Ca]CaCO 3 starting material, including target formation, nuclear production via 42 Ca(d,n) 43 Sc reaction, chemical separation, radiolabeling, solvent reformulation, and target recycling.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

NASA NTRS1978

Effect of design changes on aerodynamic and acoustic performance of translating-centerbody sonic inlets

An experimental investigation was conducted to determine the effect of design changes on the aerodynamic and acoustic performance of translating centerbody sonic inlets. Scale model inlets were tested in the Lewis Research Center's V/STOL wind tunnel. The effects of centerbody position, entry lip contraction ratio, diffuser length, and diffuser area ratio on inlet total pressure recovery, distortion, and noise suppression were investigated at static conditions and at forward velocity and angle of attack. With the centerbody in the takeoff position (retracted), good aerodynamic and acoustic performance was attained at static conditions and at forward velocity. At 0 deg incidence angle with a sound pressure level reduction of 20 dB, the total pressure recovery was 0.986. Pressure recovery at 50 deg was 0.981. With the centerbody in the approach position (extended), diffuser flow separation occurred at an incidence angle of approximately 20 deg. However, good performance was attained at lower angles. With the centerbody in the takeoff position the ability of the inlet to tolerate high incidence angles was improved by increasing the lip contraction ratio. However, at static conditions with the centerbody in the approach position, an optimum lip contraction ratio appears to exist, with both thinner and thicker lips yielding reduced performance.

Miller, B. A.↗

NASA NTRS1993

The 1993 Gordon Research Conference on Chronobiology

The study of biological timekeeping is now at a particularly fertile stage, encompassing multiple levels of biological organization, recruiting a wide array of disciplines and methodologies and uniting a host of investigators. This report summarizes a research conference on Chronobiology. Some of the topics focused on transcriptional and translational mechanisms of circadian rhythmicity, with discussions of putative 'clock genes' in cyanobacteria, algae, fungi, fruitflies, and hamsters. Cellular analysis, with emphasis on photoreceptors in frogs, neurons in molluscs, and testis in moths was addressed. New methods for investigating the circadian clock in the suprachiasmatic nucleus were introduced.

Schwartz, William J.↗

NASA NTRS2002

Permeability of Impacted Coated Composite Laminates

Composite materials are being considered for use on future generations of Reusable Launch Vehicles (RLVs) for both fuel tanks and fuel feedlines. Through the use of composite materials NASA can reduce the overall weight of the vehicle dramatically. This weight savings can then be translated into an increase in the weight of payload sent into orbit, reducing the cost per pound of payload. It is estimated that by switching to composite materials for fuel tanks the weight of the tanks can be reduced by 40 percent, which translates to a total vehicle weight savings of 14 percent. In this research, carbon/epoxy composites were studied for fuel feedline applications. There are concerns about using composite materials for feedlines and fuel tanks because these materials are extremely vulnerable to impact in the form of inadvertent bumping or dropped tools both during installation and maintenance. Additionally, it has been found that some of the sample feedlines constructed have had leaks, and thus there may be a need to seal preexisting leaks in the composite prior to usage.

Johnson, W. S.↗

DOE OSTI2025

Intersection of Hydrologic Change and Hydropower in the United States: Needs for Future Research and Practice

Hydropower is crucial for electric‐grid stability in the context of variable renewables but faces threats from changing hydrology. Here, we summarize the state of the science at the intersection of hydropower operations and planning, hydrologic science, and climate. We focus on the United States, outlining research, development, and training needs. Key knowledge gaps include the risk that intensification of compound extreme events poses to future generation, as well as uncertainties surrounding greenhouse gas emissions from hydropower reservoirs with relevance to hydropower's role in energy decarbonization. Quantifying such impacts and reducing uncertainty are critical where possible, but remaining irreducible or deep uncertainty will require new approaches. Future monitoring and modeling methods must provide a better understanding of the complexity inherent in large watersheds that is critical to managing both hydropower and watersheds in the context of hydrologic change. Yet, research and development will have little impact if they do not inform practice. Standardization and consolidation of platforms are essential for data, modeling, and tool translation to local scales and small operators. An enhanced industry‐academia dialog is pivotal for fostering a robust pipeline of hydropower professionals. Collaboration among researchers, policymakers, authorities, and industry stakeholders emerges as a recurring theme, highlighting the imperative for collective efforts.

13 HYDRO ENERGY↗

DOE OSTI2024

A comprehensive guide to CAN IDS data and introduction of the ROAD dataset

Although ubiquitous in modern vehicles, Controller Area Networks (CANs) lack basic security properties and are easily exploitable. A rapidly growing field of CAN security research has emerged that seeks to detect intrusions or anomalies on CANs. Producing vehicular CAN data with a variety of intrusions is a difficult task for most researchers as it requires expensive assets and deep expertise. To illuminate this task, we introduce the first comprehensive guide to the existing open CAN intrusion detection system (IDS) datasets. We categorize attacks on CANs including fabrication (adding frames, e.g., flooding or targeting and ID), suspension (removing an ID’s frames), and masquerade attacks (spoofed frames sent in lieu of suspended ones). We provide a quality analysis of each dataset; an enumeration of each datasets’ attacks, benefits, and drawbacks; categorization as real vs. simulated CAN data and real vs. simulated attacks; whether the data is raw CAN data or signal-translated; number of vehicles/CANs; quantity in terms of time; and finally a suggested use case of each dataset. State-of-the-art public CAN IDS datasets are limited to real fabrication (simple message injection) attacks and simulated attacks often in synthetic data, lacking fidelity. In general, the physical effects of attacks on the vehicle are not verified in the available datasets. Only one dataset provides signal-translated data but is missing a corresponding “raw” binary version. This issue pigeon-holes CAN IDS research into testing on limited and often inappropriate data (usually with attacks that are too easily detectable to truly test the method). The scarcity of appropriate data has stymied comparability and reproducibility of results for researchers. As our primary contribution, we present the Real ORNL Automotive Dynamometer (ROAD) CAN IDS dataset, consisting of over 3.5 hours of one vehicle’s CAN data. ROAD contains ambient data recorded during a diverse set of activities, and attacks of increasing stealth with multiple variants and instances of real (i.e. non-simulated) fuzzing, fabrication, unique advanced attacks, and simulated masquerade attacks. To facilitate a benchmark for CAN IDS methods that require signal-translated inputs, we also provide the signal time series format for many of the CAN captures. Our contributions aim to facilitate appropriate benchmarking and needed comparability in the CAN IDS research field.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1991

Image-based ranging and guidance for rotorcraft

This report documents the research carried out under NASA Cooperative Agreement No. NCC2-575 during the period Oct. 1988 - Dec. 1991. Primary emphasis of this effort was on the development of vision based navigation methods for rotorcraft nap-of-the-earth flight regime. A family of field-based ranging algorithms were developed during this research period. These ranging schemes are capable of handling both stereo and motion image sequences, and permits both translational and rotational camera motion. The algorithms require minimal computational effort and appear to be implementable in real time. A series of papers were presented on these ranging schemes, some of which are included in this report. A small part of the research effort was expended on synthesizing a rotorcraft guidance law that directly uses the vision-based ranging data. This work is discussed in the last section.

Menon, P. K. A.↗