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NASA NTRS2024

Impact of Spaceflight on Earth’s Atmosphere: Climate, Ozone, and the Upper Atmosphere

In order to eliminate potential risk from the lack of scientific understanding and resolve the current inability to assess how a rapidly growing space industry will affect Earth’s atmosphere, a well-defined research effort is recommended. As demonstrated in the white paper “Impacts of Spaceflight on the Global Atmosphere: Current Understanding, Knowledge Gaps, NASA’s Role, and Roadmap", we must improve our ability to model and observe rocket engine combustion, far field rocket plume evolution, impacts on the upper atmosphere, global launch impacts, reentry gas and aerosol production, far field reentry plume evolution, and global reentry impacts. The highly successful Atmospheric Chemistry of Combustion Emissions Near the Tropopause (ACCENT) program serves as a model for the proposed effort. ACCENT was a multiagency research program that included observation and modeling of rocket plumes and played a critical role to remove the threat of regulatory action against the Space Shuttle’s solid rocket motors. A similar effort today would be a combination of remote, in situ, and laboratory measurements that feed into model development and assessment of future launch and reentry emissions.

Ozone Layer↗

DOE OSTI2020

Fossil Power Plant Cyber Security Life-Cycle Risk Reduction: A Practical Framework for Implementation

Market conditions are forcing fossil electricity generation facility owners and operators to implement advanced digital technologies. These technologies enable efficiencies, operational flexibility, operations and maintenance efficiencies, and adapting to a transitioning workforce. These digital technologies, however, can increase the cybersecurity attack surface. The purpose of this research was to develop a holistic cybersecurity risk reduction framework for fossil generation facilities. The framework begins with assessing how cyber risk changes across facility life cycles, including plant, system, vendor, and business life cycles. The next phase performs consequence analysis to prioritize high consequence events. Focusing on high consequence events allows owners to use a graded, risk-informed approach to prioritize cybersecurity efforts. The final phase identifies the digital asset attack surface in sensors and instrumentation and control equipment. After the vulnerabilities are identified, the owner selects mitigating cybersecurity control measures (or countermeasures) based on the risk analysis from the previous phases. This report describes the current industry cybersecurity best practices in fossil generation that are based on the first principles for cybersecurity engineering. The report is divided into five sections that describe the implementation of the risk reduction framework and present identified research, methodological, and technology gaps that were identified through this course of research and development.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2020

Fossil Power Plant Cyber Security Life-Cycle Risk Reduction: A Practical Framework for Implementation

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2023

FY23 status report on the development of new ASME Section III, Division 5 Class B rules

This report summarizes the work done in Fiscal Year 2023 on the development of the new American Society of Mechanical Engineers Boiler and Pressure Vessel Code, Section III, Division 5, Class B rules to address the gaps identified for high temperature reactor designs. The summary of the design-by-analysis strain limit evaluation and creep-fatigue damage assessment is presented. The proposed design-by-analysis creep-fatigue damage calculation approach uses a new elastic follow-up-based Isochronous Stress Strain Curve stress relaxation procedure. This approach captures the elastic follow-up generated due to interactions of components with adjacent components, supports, and other connections in the power plant. A set of sample problems are selected to validate the proposed design-by-analysis rules for creep-fatigue damage assessment. The proposed Class B rules are evaluated against the Class A elastic design rules, and the experimental data obtained from a family of Simplified Model Test based key-feature test results. The proposed Class B creep-fatigue damage assessment methodology yields conservative design cycles estimates compared to the experimental results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

FY22 Laboratory Directed Research and Development Annual Report

The Laboratory Directed Research and Development (LDRD) program yields foundational scientific research and development (R&D) essential to growing SRNL’s core competencies, in alignment with SRNL’s Strategic Plan to provide long-term benefits to the Department of Energy (DOE), the National Nuclear Security Administration (NNSA), and other customers and stakeholders. Five strategic goals are outlined in SRNL’s strategic plan: 1) Provide applied science and engineering for EM’s active clean-up sites and LM’s post closure management sites; 2) Provide science-based solutions for gaps identified in nonproliferation strategic vision and support the government in actives impacting national security; 3) Lead ST&E as the central technical authority for processing tritium loaded reservoirs and support production of plutonium pits; 4) Align science and energy security programs by focusing modern modeling, simulation, and data analytics tools on materials engineering and performance applications; 5) Build a workforce for the future.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS2009

Exploration Life Support Technology Development for Lunar Missions

Exploration Life Support (ELS) is one of NASA's Exploration Technology Development Projects. ELS plans, coordinates and implements the development of new life support technologies for human exploration missions as outlined in NASA's Vision for Space Exploration. ELS technology development currently supports three major projects of the Constellation Program - the Orion Crew Exploration Vehicle (CEV), the Altair Lunar Lander and Lunar Surface Systems. ELS content includes Air Revitalization Systems (ARS), Water Recovery Systems (WRS), Waste Management Systems (WMS), Habitation Engineering, Systems Integration, Modeling and Analysis (SIMA), and Validation and Testing. The primary goal of the ELS project is to provide different technology options to Constellation which fill gaps or provide substantial improvements over the state-of-the-art in life support systems. Since the Constellation missions are so challenging, mass, power, and volume must be reduced from Space Shuttle and Space Station technologies. Systems engineering analysis also optimizes the overall architecture by considering all interfaces with the life support system and potential for reduction or reuse of resources. For long duration missions, technologies which aid in closure of air and water loops with increased reliability are essential as well as techniques to minimize or deal with waste. The ELS project utilizes in-house efforts at five NASA centers, aerospace industry contracts, Small Business Innovative Research contracts and other means to develop advanced life support technologies. Testing, analysis and reduced gravity flight experiments are also conducted at the NASA field centers. This paper gives a current status of technologies under development by ELS and relates them to the Constellation customers who will eventually use them.

Ewert, Michael K.↗

DOE OSTI2017

Sulfur-doped graphene nanoribbons with a sequence of distinct band gaps

Unlike graphene sheets, graphene nanoribbons (GNRs) can exhibit semiconducting band gap characteristics that can be tuned by controlling impurity doping and the GNR widths and edge structures. However, achieving such control is a major challenge in the fabrication of GNRs. Chevron-type GNRs were recently synthesized via surface-assisted polymerization of pristine or N-substituted oligophenylene monomers. In principle, GNR heterojunctions can be fabricated by mixing two different monomers. In this paper, we report the fabrication and characterization of chevron-type GNRs using sulfur-substituted oligophenylene monomers to produce GNRs and related heterostructures for the first time. First-principles calculations show that the GNR gaps can be tailored by applying different sulfur configurations from cyclodehydrogenated isomers via debromination and intramolecular cyclodehydrogenation. This feature should enable a new approach for the creation of multiple GNR heterojunctions by engineering their sulfur configurations. These predictions have been confirmed via scanning tunneling microscopy and scanning tunneling spectroscopy. For example, we have found that the S-containing GNRs contain segments with distinct band gaps, i.e., a sequence of multiple heterojunctions that results in a sequence of quantum dots. This unusual intraribbon heterojunction sequence may be useful in nanoscale optoelectronic applications that use quantum dots.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Turbulent burning velocity of lean premixed hydrogen/air flames at engine conditions: Effects of turbulence intensity and length scale

For turbulent lean premixed hydrogen flames with strong thermodiffusively instabilities, most previous studies have focused on the influence of turbulence intensity, whereas the role of turbulence length scale is less well understood. Here, this study addresses this gap by conducting direct numerical simulations (DNS) of statistically planar turbulent premixed flames for a lean (ϕ=0.35) hydrogen/air mixture under independently varied turbulence intensity (u') and length scale (l T ) at engine-relevant thermodynamics conditions. Results show that as u' increases, the flame front becomes increasingly wrinkled, forming smaller cellular structures. In contrast, l T variations do not significantly alter the size of these structures. For the turbulent burning velocity (S T ), the normalized S T (i.e., S T /S L , where S L is the laminar flame speed) increases linearly with u', driven by both enhanced flame surface wrinkling (i.e., increased A T /A L ) and enhanced local burning rate (i.e., increased I 0 ). However, increasing l T reduces I 0 , despite a continued increase in A T /A L , resulting in only a marginal increase in S T /S L . To reveal the underlying mechanisms, especially the decreasing trend of I 0 with l T , local flame dynamics analyses are performed. It is found that as l T increases, the interaction between thermodiffusive effects and turbulence weakens due to the reduced tangential strain rate, while the flame curvature remains largely unchanged. This suppresses local reactivity enhancement and thus decreases I 0 , In contrast, an increase in u' enhances the interaction by amplifying both curvature fluctuation and tangential strain rate, leading to increased local reactivity (increased I 0 ). Finally, based on the DNS data, several new scaling models are proposed for the three global properties, S T /S L , A T /A L , and I 0 , and showed improvements compared to existing models. These findings provide new insights into the flame-turbulence interactions in thermodiffusively unstable hydrogen flames. The DNS dataset is also useful for the development of turbulent combustion models applicable to practical engine simulations.

Engine-relevant condition↗

NASA NTRS2019

Medical System Concept of Operations for Mars Exploration Mission-11: Exploration Medical Capability (ExMC) Element - Human Research Program

NASA’s exploration missions to Mars will have durations of 2-3 years and will take humans farther away from Earth than ever before. This will result in a paradigm shift for mission planning, spacecraft design, human systems integration, and in-flight medical care. Constraints on real-time communication, resupply, and medical evacuation are major architectural drivers. These constraints require medical system development to be tightly integrated with mission and vehicle design to provide crew autonomy and enable mission success. This concept of operations provides a common vision of medical care for developing a medical system for Mars exploration missions. It documents an overview of the stakeholder needs and goals of a medical system and provides examples of the types of activities the system will be used for during the mission. Development of the concept of operations considers mission variables such as distance from Earth, duration of mission, time to definitive medical care, communication protocols between crewmembers and ground support, personnel capabilities and skill sets, medical hardware and software, and medical data management. The information provided in this document informs the ExMC Systems Engineering effort to define the functions to be provided by the medical system. In addition, this concept of operations will inform the subsequent systems engineering process of developing technical requirements, system architectures, interfaces, and verification and validation approaches for the medical system. This document supports the closure of ExMC Gap Med01: We do not have a concept of operations for medical care during exploration missions, corresponding to the ExMC-managed human system risk: Risk of Adverse Health Outcomes & Decrements in Performance due to Inflight Medical Conditions. This document is applicable to the ExMC Element Systems Engineering process and may be used for collaboration within the Human Research Program.

Urbina, Michelle↗

DOE OSTI2018

Battery Safety Testing

25 ENERGY STORAGE↗

DOE OSTI2017

Battery Testing FY 2017 Annual Progress Report

Abuse tests are designed to determine the safe operating limits of HEV\PHEV energy storage devices. Testing is intended to achieve certain worst-case scenarios to yield quantitative data on cell\module\pack response, allowing for failure mode determination and guiding developers toward improved materials and designs. Standard abuse tests with defined start and end conditions are performed on all devices to provide comparison between technologies. New tests and protocols are developed and evaluated to more closely simulate real-world failure conditions. When scaling from cell to the battery level, a detailed understanding of cell interactions provides insight on safety performance. Single point failures from a cell or group of cells can be initiated by a number of triggers including internal short circuit, misuse or abuse, or component failure at the battery or system level. Propagation of a single failure event (regardless of the initiation trigger) through an entire battery, system, or vehicle is an unacceptable outcome with regards to EV battery safety. In this FY, our work has focused on evaluating the propagation of a single cell thermal runaway event through a battery using a variety of design considerations with an emphasis on passive thermal management impacts. This has been coupled with thermal modeling by NREL for these testing conditions. In addition, alternative failure initiation methods have been evaluated to provide direct comparisons of possible energy injection between modes. This data was compiled to better identify what propagation test method is appropriate given certain battery designs. Expanding the analysis of short circuit current during failure propagation has been done for EV relevant chemistries. Ongoing test development and validation to obtain these values has been achieved. While robust mechanical models for vehicles and vehicle components exist, there is a gap for mechanical modeling of EV batteries. The challenge with developing a mechanical model for a battery is the heterogeneous nature of the materials and components (polymers, metals, metal oxides, liquids). Our work will provide empirical data on the mechanical behavior of batteries under compressive load to understand how a battery may behave in a vehicle crash scenario. This work is performed in collaboration with the U.S. Council for Automotive Research (USCAR) and Computer Aided Engineering of Batteries (CAEBAT). These programs have supported the design and development of a drop tower testing apparatus to close the gap between cell/string level testing and full scale crash testing with true dynamic rate effects.

25 ENERGY STORAGE↗

DOE OSTI2022

Optimization-based modeling and economic comparison of membrane distillation configurations for application in shale gas produced water treatment

Membrane distillation (MD) is an emerging membrane technology with great potential for treatment of hypersaline wastewater generated by unconventional (shale) oil and gas reservoirs. However, the low energy efficiency of this technology makes the operating cost of MD systems relatively high, especially in the absence of waste heat. There are several MD configurations with inherent advantages and disadvantages and varying performance. As such, there is a need for thermo-economic optimization of MD systems in a systematic manner to assess their economic performance. Here we present an optimization framework to model and compare the performance of six MD configurations (DCMD, AGMD, PGMD, CGMD, SGMD, and VMD) in continuous recirculation mode for treatment of hypersaline wastewater. The optimization results show that AGMD with small gap size operated at low stream Reynolds number outperforms all other configurations with treatment cost of 4.57 US $/m 3 of feed. However, restricting the system design to more practically relevant operating conditions, such as higher Reynolds number and larger gap size, diminishes the cost superiority of AGMD over other configurations. We also observed that treatment cost using PGMD configuration approaches those of CGMD and DCMD, particularly when modules with small gaps are used.

42 ENGINEERING↗

DOE OSTI2023

Dielectric screening at TMD:hBN interfaces: Monolayer-to-bulk transition, local-field effect, and spatial dependence

The dielectric effects of a substrate have been shown to be important for modulating the electronic properties of an adsorbate, especially in van der Waals heterostructures. Here, using the first-principles dielectric embedding GW approach within the framework of many-body perturbation theory, we perform a case study on the dielectric screening effects of hexagonal boron nitride (hBN) on various transition-metal dichalcogenides (TMDs). We consider three systems, monolayer MoS 2 , bilayer MoS 2 , and a mixed WS 2 /MoS 2 bilayer adsorbed on hBN, and examine three aspects of the substrate dielectric screening: (i) the thickness dependence and the monolayer-to-bulk transition, for which we consider the effects of one-, two-, three-, and four-layer hBN; (ii) the local-field effect, for which we numerically assess a common approximation of neglecting the in-plane local-field components of the substrate polarizability; and (iii) the spatial dependence, for which we consider the mixed WS 2 /MoS 2 bilayer adsorbed on hBN with either side facing the substrate. Finally, our results provide quantitative insight into how the substrate screening effects can be leveraged for band structure engineering.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Antimony redox processes in the environment: A critical review of associated oxidants and reductants

The environmental behavior of antimony (Sb) has recently received greater attention due to the increasing global use of Sb in a range of industrial applications. Although present at trace levels in most natural systems, elevated Sb concentrations in aquatic and terrestrial environments may result from anthropogenic activities. The mobility and toxicity of Sb largely depend on its speciation, which is dependent to a large extent on its oxidation state. To a certain extent, our understanding of the environmental behavior of Sb has been informed by studies of the environmental behavior of arsenic (As), as Sb and As have somewhat similar chemical properties. However, recently it has become evident that the speciation of Sb and As, especially in the context of redox reactions, may be fundamentally different. Therefore, it is crucial to study the biogeochemical processes impacting Sb redox transformations to understand the behavior of Sb in natural and engineered environments. Currently, there is a growing body of literature involving the speciation, mobility, toxicity, and remediation of Sb, and several reviews on these general topics are available; however, a comprehensive review focused on Sb environmental redox chemistry is lacking. Herein, we provide a review of research conducted within the past two decades examining the redox chemistry of Sb in aquatic and terrestrial environments and identifies knowledge gaps that need to be addressed to develop a better understanding of Sb biogeochemistry for improved management of Sb in natural and engineered systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

An In-depth Review On the Scientific and Policy Issues Associated with Additive Manufacturing

Historically, manufacturing processes have been predominantly subtractive, i.e. three-dimensional objects were created by successively cutting material away from a solid block, by scraping, machining, turning or dissolving. Additive manufacturing (AM) or three-dimensional (3D) printing, in contrast, is controlled material addition, implemented by successively depositing layers of material until a predesigned shape is formed. AM represents an innovative manufacturing technology, and is set to transform production processes from design to manufacture, and to eventual distribution to end users, ultimately leading to an increase in energy efficiency and a reduction in gas emissions for future generation of industries. The unique capability of this technology to produce intricate geometries with customizable material properties has made it a widely interesting and welcome development among scientists, industry and the general public. Its wide acceptance has continued to make 3D printing technology more openly accessible, and low-cost desktop printing, with the capability to reproduce 3D objects from medical prostheses to weapons, is rapidly increasing in availability to the public. However, most research and media attention has been focused on the ingenuity of this ground-breaking technology and its wide range of possibilities. Very little consideration is being given to the adverse effects of the seemingly unstoppable advancement of AM technology and unrestricted access to 3D printing techniques. Also, proponents of AM technology rarely take into account the overall life-cycle cost and risks of failure of the manufactured part. Despite the promising prospects of this novel development, there are still concerns about how printed products will perform over time, the consistency of their quality, and the types and safety of materials used with this technology, especially with very large scale additive-manufactured products. This paper brings to light some scientific and policy risks and challenges concerning the material science and engineering aspects of these issues. Matters discussed include life-cycle cost analysis, end-product safety and quality assurance/control, regulation gaps, digital piracy, and resulting loopholes in safety and national security. The paper also presents potential options for curbing these risks, and otherwise adapting to the eventualities which, with certain inevitable factors in play, may lie beyond control.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2023

Status of Cable Aging Knowledge Gaps Identified in the Expanded Materials Degradation Assessment (EMDA)

This report summarizes research relevant to cable aging knowledge gaps identified in NUREG/CR-7153, “Expanded Materials Degradation Assessment (EMDA) Volume 5: Aging of Cables and Cable Systems” (EMDA Vol. 5), performed since the EMDA Vol. 5 was published in 2014. It begins with a discussion of the status of cables in long-term operation of U.S. nuclear power plants (NPPs) and the most common cables found in NPP containment. Next, the major polymer cable insulations, and the mechanisms of concern for degradation of those polymers in service are reviewed. A description of the environmental qualification (EQ) process historically used for safety-related cables is provided as is a review of the potential concerns with that process highlighted in the EMDA Vol. 5. Research addressing each of these is then reviewed. Finally, three potential strategies to support continued safe operation of aging cables are proposed: advanced condition-based verification, targeted material aging studies, and predictive simulation.

42 ENGINEERING↗

DOE OSTI2018

The effect of variable fuel staging transients on self-excited instabilities in a multiple-nozzle combustor

Combustion instability in gas turbine engines is often mitigated using fuel staging. Fuel staging, sometimes referred to as fuel splitting, is a strategy by which fuel is unevenly distributed between different nozzles of a multiple-nozzle combustor. These fuel splits are conducted in a transient manner in real engines, and the effects of these transients on instability are not well characterized. This work fills this gap by systematically studying the effects of transient fuel staging on self-excited combustion instability by varying the amount of staging fuel (staging amplitude), timescale in which the fuel is added (transient duration), and whether staging fuel is added or subtracted (transient direction). In this work, three staging amplitudes, five transient durations, and both transient directions are considered. The transient timescales are broadly divided into “short” duration transients, which have fuel delivery timescales shorter than the characteristic instability decay or onset timescales, and “long” duration transients, which have fuel delivery timescales longer than the characteristic instability decay or onset timescales. For short duration transients, we find the instability decay timescale depends on staging amplitude but does not depend on transient duration. For long duration transients, we find the instability decay timescale does not strongly depend on staging amplitude. The instability onset timescale is found to be longer and more variable between runs than the instability decay timescale for a given fuel delivery timescale. The onset timescale is also longer in duration and more variable than the decay timescale at a given fuel delivery timescale, implying that the instability rise process is overall more variable and slower than the instability decay process. Analysis of combustor damping rates show a strong dependence of damping rate on staging amplitude but no strong dependence on transient duration or direction. Instantaneous phase difference images between p' and are used to differentiate regions in the combustor that have constructive versus destructive interference between heat release rate oscillations and pressure fluctuations. Furthermore, the phase images show that p' and q . ' become in-phase early in the transient for the onset transients.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2020

Unhinging the Surfaces of Higher-Order Topological Insulators and Superconductors

Here, we show that the chiral Dirac and Majorana hinge modes in three-dimensional higher-order topological insulators (HOTIs) and superconductors (HOTSCs) can be gapped while preserving the protecting C$_{2n}\mathcal{T}$ symmetry upon the introduction of non-Abelian surface topological order. In both cases, the topological order on a single side surface breaks time-reversal symmetry, but appears with its time-reversal conjugate on alternating sides in a C$_{2n}\mathcal{T}$ preserving pattern. In the absence of the HOTI/HOTSC bulk, such a pattern necessarily involves gapless chiral modes on hinges between C$_{2n}\mathcal{T}$-conjugate domains. However, using a combination of K -matrix and anyon condensation arguments, we show that on the boundary of a 3D HOTI/HOTSC these topological orders are fully gapped and hence “anomalous.” Our results suggest that new patterns of surface and hinge states can be engineered by selectively introducing topological order only on specific surfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗