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DOE OSTI2022

Techno-economic performances and life cycle greenhouse gas emissions of various ammonia production pathways including conventional, carbon-capturing, nuclear-powered, and renewable production

Ammonia (NH 3 ) is conventionally produced using fossil natural gas (NG) for hydrogen production through steam reformation and synthesis in the Haber–Bosch (HB) process. The global conventional ammonia production contributes more than 420 million tons of CO 2 emissions annually. Here, in this work, we investigated the techno-economics and well-to-plant-gate (WTG) greenhouse gas (GHG) emissions of conventional NG-based, carbon-capturing, nuclear-powered, and renewable ammonia production by developing an engineering process model for each. Carbon-capturing ammonia production refers to the NG-based ammonia production while capturing CO 2 and transporting it via pipelines for storage or utilization. Nuclear-powered and renewable ammonia production represents an alternative ammonia production through water electrolysis, air separation, and the HB process using carbon-free energy sources. Nuclear and renewable energy sources are assumed to be used for nuclear-powered and renewable ammonia production, respectively. Sensitivity analyses are performed for CO 2 pipeline transport distances, potential carbon capture tax credits, and clean H 2 production cost. Carbon-capturing ammonia production reduces WTG GHG emissions by 55–70% compared to conventional NG-based ammonia production methods. Nuclear-powered and renewable ammonia production almost eliminate GHG emissions since energy supply is either zero carbon or near-zero carbon. However, when $4.16–4.83 per kg is the cost assumed for clean H 2 production using state-of-the-art electrolysis technologies, the levelized costs of nuclear-powered and renewable ammonia are calculated to be $0.92–1.06 per kg NH 3 , which are approximately four times higher than the conventional NG-based ammonia production cost. The cost of CO 2 emission avoidance is estimated in the range of $266–318 per metric ton of CO 2 for nuclear-powered and renewable ammonia production. The clean H 2 production cost is the major contributor to the levelized costs of nuclear-powered and renewable ammonia production. A lower production cost, near $1 per kg H 2 , for clean H 2 is required for nuclear-powered and renewable ammonia production to be cost-competitive with conventional NG-based ammonia production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1990

The application of CFD to rotary wing flow problems

Rotorcraft aerodynamics is especially rich in unsolved problems, and for this reason the need for independent computational and experimental studies is great. Three-dimensional unsteady, nonlinear potential methods are becoming fast enough to enable their use in parametric design studies. At present, combined CAMRAD/FPR analyses for a complete trimmed rotor soltution can be performed in about an hour on a CRAY Y-MP (or ten minutes, with multiple processors). These computational speeds indicate that in the near future many of the large CFD problems will no longer require a supercomputer. The ability to convect circulation is routine for integral methods, but only recently was it discovered how to do the same with differential methods. It is clear that the differential CFD rotor analyses are poised to enter the engineering workplace. Integral methods already constitute a mainstay. Ultimately, it is the users who will integrate CFD into the entire engineering process and provide a new measure of confidence in design and analysis. It should be recognized that the above classes of analyses do not include several major limiting phenomena which will continue to require empirical treatment because of computational time constraints and limited physical understanding. Such empirical treatment should be included, however, into the developing CFD, engineering level analyses. It is likely that properly constructed flow models containing corrections from physical testing will be able to fill in unavoidable gaps in the experimental data base, both for basic studies and for specific configuration testing. For these kinds of applications, computational cost is not an issue. Finally, it should be recognized that although rotorcraft are probably the most complex of aircraft, the rotorcraft engineering community is very small compared to the fixed-wing community. Likewise, rotorcraft CFD resources can never achieve fixed-wing proportions and must be used wisely. Therefore the fixed-wing work must be gleaned for many of the basic methods.

Caradonna, F. X.↗

DOE OSTI2024

Inaugural Molten Salt Technologies Workshop Powering the Future

The inaugural “Molten Salt Technologies – Powering the Future” Workshop marked a significant convergence of minds from diverse industries, each harnessing molten-salt technologies in innovative ways. Participants from sectors such as solar, geothermal, and advanced nuclear energy, as well as those involved in cutting-edge applications like thermal transport and rare-earth metals extraction, gathered to discuss their shared technical challenges and opportunities. Industry leaders in metal extraction and recycling, alongside experts in high-temperature sensor technology and advanced material manufacturing, also brought their unique perspectives to the table. This workshop served as a crucial platform for these varied industries to delve into the engineering intricacies that molten salt technologies entail. Common challenges such as understanding the thermophysical properties of salts, tackling corrosion mechanisms in harsh environments, and enhancing material resilience under extreme conditions were at the forefront of discussions. These technical sessions highlighted the critical need for cross-industry collaboration to address issues like salt life-cycle process engineering, impurity mitigation, and the development of durable, high-performance materials. By bringing together academia, industry, and representatives from national laboratories and the U.S. Department of Energy (DOE), the workshop facilitated a rich exchange of knowledge and experiences. This interaction not only fostered new partnerships but also strengthened the network among existing collaborators, setting the stage for joint solutions to the complex problems faced by all sectors using molten salt technologies. The event underscored the importance of collaborative efforts in overcoming common engineering challenges and advancing the application of molten-salt technologies across various industries. The workshop not only provided an essential forum for networking and idea exchange but also highlighted the collective drive towards innovative solutions that could benefit multiple fields.

Department of Energy↗

DOE OSTI2024

Inaugural Molten Salt Technologies Workshop Powering the Future

Department of Energy↗

NASA NTRS2012

Organizational Influences on Interdisciplinary Interactions during Research and Design of Large-Scale Complex Engineered Systems

The design of large-scale complex engineered systems (LaCES) such as an aircraft is inherently interdisciplinary. Multiple engineering disciplines, drawing from a team of hundreds to thousands of engineers and scientists, are woven together throughout the research, development, and systems engineering processes to realize one system. Though research and development (R&D) is typically focused in single disciplines, the interdependencies involved in LaCES require interdisciplinary R&D efforts. This study investigates the interdisciplinary interactions that take place during the R&D and early conceptual design phases in the design of LaCES. Our theoretical framework is informed by both engineering practices and social science research on complex organizations. This paper provides preliminary perspective on some of the organizational influences on interdisciplinary interactions based on organization theory (specifically sensemaking), data from a survey of LaCES experts, and the authors experience in the research and design. The analysis reveals couplings between the engineered system and the organization that creates it. Survey respondents noted the importance of interdisciplinary interactions and their significant benefit to the engineered system, such as innovation and problem mitigation. Substantial obstacles to interdisciplinarity are uncovered beyond engineering that include communication and organizational challenges. Addressing these challenges may ultimately foster greater efficiencies in the design and development of LaCES and improved system performance by assisting with the collective integration of interdependent knowledge bases early in the R&D effort. This research suggests that organizational and human dynamics heavily influence and even constrain the engineering effort for large-scale complex systems.

McGowan, Anna-Maria R.↗

DOE OSTI2020

Lidar-based remote infrared gas sensor for monitoring anthropogenic pollution: a proof of concept

We propose using wavelength-modulation laser absorption spectroscopy in combination with quadrature detection of scattered light for remote industrial pollution monitoring in the atmosphere with a compact lidar-based gas sensor, which can be mounted on board an unmanned aerial vehicle. The instrument can be used for detecting leaks in product pipe lines; monitoring toxic gases near landfill sites, waste incineration plants, and other hazardous man-made facilities; analysing the gas atmosphere in industrial buildings and structures; and monitoring engineering processes at a sensitivity level of tens of ppm m in gas concentration measurements at characteristic distances of tens of metres. (laser applications and other issues in quantum electronics)

42 ENGINEERING↗

NASA NTRS1993

An evaluation of software tools for the design and development of cockpit displays

The use of all-glass cockpits at the NASA Langley Research Center (LaRC) simulation facility has changed the means of design, development, and maintenance of instrument displays. The human-machine interface has evolved from a physical hardware device to a software-generated electronic display system. This has subsequently caused an increased workload at the facility. As computer processing power increases and the glass cockpit becomes predominant in facilities, software tools used in the design and development of cockpit displays are becoming both feasible and necessary for a more productive simulation environment. This paper defines LaRC requirements of a display software development tool and compares two available applications against these requirements. As a part of the software engineering process, these tools reduce development time, provide a common platform for display development, and produce exceptional real-time results.

Ellis, Thomas D., Jr.↗

NASA NTRS1990

The Design-To-Cost Manifold

Design-to-cost is a popular technique for controlling costs. Although qualitative techniques exist for implementing design to cost, quantitative methods are sparse. In the launch vehicle and spacecraft engineering process, the question whether to minimize mass is usually an issue. The lack of quantification in this issue leads to arguments on both sides. This paper presents a mathematical technique which both quantifies the design-to-cost process and the mass/complexity issue. Parametric cost analysis generates and applies mathematical formulas called cost estimating relationships. In their most common forms, they are continuous and differentiable. This property permits the application of the mathematics of differentiable manifolds. Although the terminology sounds formidable, the application of the techniques requires only a knowledge of linear algebra and ordinary differential equations, common subjects in undergraduate scientific and engineering curricula. When the cost c is expressed as a differentiable function of n system metrics, setting the cost c to be a constant generates an n-1 dimensional subspace of the space of system metrics such that any set of metric values in that space satisfies the constant design-to-cost criterion. This space is a differentiable manifold upon which all mathematical properties of a differentiable manifold may be applied. One important property is that an easily implemented system of ordinary differential equations exists which permits optimization of any function of the system metrics, mass for example, over the design-to-cost manifold. A dual set of equations defines the directions of maximum and minimum cost change. A simplified approximation of the PRICE H(TM) production-production cost is used to generate this set of differential equations over [mass, complexity] space. The equations are solved in closed form to obtain the one dimensional design-to-cost trade and design-for-cost spaces. Preliminary results indicate that cost is relatively insensitive to changes in mass and that the reduction of complexity, both in the manufacturing process and of the spacecraft, is dominant in reducing cost.

Dean, Edwin B.↗

DOE OSTI2026

Knowledge Graph for End-to-End Traceability of an Integrated Human-Earth System Model

Integrated human-Earth system models inform energy-water-land system dynamics and policies, yet their results are difficult to trace through input-data, model structure, scenario configurations, and solved outputs. Because this information is siloed across disconnected artifacts, process-based IAMs have historically lacked a unified, queryable representation. Such lack of traceability prevents researchers from systematically isolating the multi-sector drivers of complex outcomes (such as tracing water-scarcity results back to distant energy-system dynamics) or conducting holistic uncertainty attribution across hundreds of interacting parameters. To address this concern, our work documents the software engineering process of a knowledge graph that unifies these four layers for the Global Change Analysis Model (GCAM-USA_Reference scenario, GCAM v9.1). The graph was built as a relational property graph in DuckDB from the run’s own artifacts: the input-preparation dependency map (gcamdata chunk map), the model’s XML input files, the run configuration, and the results database (BaseX), successfully mapping the model’s declared structure. The resulting graph comprises 204,321 nodes and 1,687,814 edges across 16 node types and 15 edge types, with approximately 16.3 million time-series values stored separately to maintain structural efficiency. To ensure representation fidelity, every edge carries an epistemic-status annotation recording the warrant for the relationship (structural, provenance, dependency, or model-derived), and a machine-readable provenance ledger classifying the origin of every schema element. Evaluation against a fixed five-benchmark suite with locked baselines reports zero structural orphans, zero dangling edge endpoints, and 100% of output-producing technologies traceable to raw input files. Two interactive interfaces present the graph, including a serverless browser application built on DuckDB-Wasm. By establishing the first end-to-end provenance framework for an IAM, this work enables researchers and scientists to systematically audit complex policy scenarios, debug model structures, and trace policy-relevant outputs to their data origins in real time.

Artifical Intelligence↗

NASA NTRS1988

The next generation

The next generation of computer systems are studied by examining the processes and methodologies. The present generation is ok for small projects, but not so good for large projects. They are not good for addressing the iterative nature of requirements, resolution, and implementation. They do not address complexity issues of requirements stabilization. They do not explicitly address reuse opportunities, and they do not help with people shortages. Therefore, there is a need to define and automate improved software engineering processes. Some help may be gained by reuse and prototyping, which are two sides of the same coin. Reuse library parts are used to generate good approximations to desired solutions, i.e., prototypes. And rapid prototype composition implies use of preexistent parts, i.e., reusable parts.

Yudkin, Howard↗

NASA NTRS1994

Design for reliability: NASA reliability preferred practices for design and test

This tutorial summarizes reliability experience from both NASA and industry and reflects engineering practices that support current and future civil space programs. These practices were collected from various NASA field centers and were reviewed by a committee of senior technical representatives from the participating centers (members are listed at the end). The material for this tutorial was taken from the publication issued by the NASA Reliability and Maintainability Steering Committee (NASA Reliability Preferred Practices for Design and Test. NASA TM-4322, 1991). Reliability must be an integral part of the systems engineering process. Although both disciplines must be weighed equally with other technical and programmatic demands, the application of sound reliability principles will be the key to the effectiveness and affordability of America's space program. Our space programs have shown that reliability efforts must focus on the design characteristics that affect the frequency of failure. Herein, we emphasize that these identified design characteristics must be controlled by applying conservative engineering principles.

Lalli, Vincent R.↗

NASA NTRS1977

Coal desulfurization by low-temperature chlorinolysis

Among the three principal methods for precombustion desulfurization of coal, which include physical depyriting, chemical desulfurization, and coal conversion to low-sulfur liquid and gaseous fuels, the potential of chemical methods looks promising in terms of both total sulfur removal and processing cost. The principal chemical methods for coal desulfurization involve treatment with either oxidizing agents or basic media at elevated temperature and pressure. A description is given of some recent experimental results which show the feasibility of removing sulfur, particularly organic sulfur, from high-sulfur coals by a simple method of low-temperature chlorinolysis followed by hydrolysis and dechlorination. The chemical feasibility of sulfur removal by chlorinolysis rather than the detailed engineering process is emphasized.

Hsu, G. C.↗

DOE OSTI2026

Cyber-Informed Engineering: Standards Development Organization Quick Start Guide

Cyber-Informed Engineering (CIE) is an emerging methodology focused on identifying and reducing high-consequence events that may affect physical critical infrastructure systems as a result of their dependence on digital technology. CIE, developed by National Laboratories and promoted by the Department of Energy (DOE), incorporates consequence-focused planning into the design and engineering process from the earliest stages of a project. This guide provides a concise overview of CIE and offers practical insight into how Standards Development Organizations (SDOs) can interpret CIE principles and apply those concepts in updates to various standards. It is important to remember that CIE extends beyond a compliance checklist, emphasizing a broader, interpretive approach. Instead, it encourages an interpretive mindset - a "turning of 'what if' to 'even if'" approach that anticipates and engineers out high-consequence events. The authors encourage SDOs to establish and promote CIE principles as enhancements for more resilient-by-design outcomes across critical infrastructure energy sectors. The 12 core principles of CIE outline specific behaviors and actions that SDOs and engineers may adopt to enhance system resilience. This guide applies these principles in a manner intended to be relevant across various technologies and threat landscapes. We welcome institutions and vendors to identify new or different framework alignments and mappings as we collectively work towards a safer and more reliable digital landscape.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

FluxRETAP: a REaction TArget Prioritization genome-scale modeling technique for selecting genetic targets

MOTIVATION: Metabolic engineering is rapidly evolving as a result of new advances in synthetic biology tools and automation platforms that enable high throughput strain construction, as well as the development of machine learning tools (ML) for biology. However, selecting genetic engineering targets that effectively guide the metabolic engineering process is still challenging. ML can provide predictive power for synthetic biology, but current technical limitations prevent the independent use of ML approaches without previous biological knowledge. RESULTS: Here, we present FluxRETAP, a simple and computationally inexpensive method that leverages the prior mechanistic knowledge embedded in genome-scale models for suggesting targets for genetic overexpression, downregulation or deletion, with the final goal of increasing the production of a desired metabolite. This method can provide a list of desirable engineering targets that can be combined with current ML pipelines. FluxRETAP captured 100% of reaction targets experimentally verified to improve Escherichia coli isoprenol production, 50% of targets that experimentally improved taxadiene production in E. coli and ∼60% of genetic targets from a verified minimal constrained cut-set in Pseudomonas putida, while providing additional high priority targets that could be tested. Overall, FluxRETAP is an efficient algorithm for identifying a prioritized list of testable genetic and reaction targets. AVAILABILITY AND IMPLEMENTATION: FluxRETAP is implemented in python and released under the creative commons license. The implementation and code are freely available at: https://github.com/JBEI/FluxRETAP.

Czajka, Jeffrey J↗

DOE OSTI2025

Advanced Processing of Coal and Coal Waste to Produce Graphite for Fast-Charging Lithium-Ion Battery Anode

The University of North Dakota (UND) Energy & Environmental Research Center (EERC), in collaboration with the UND Center for Process Engineering Research (CPER), conducted a project to validate two technologies capable of converting North Dakota lignite and lignite coal waste to high-quality graphite for fast-charging lithium-ion battery (LIB) anode. The project was conducted over about 3 years from April 7, 2022, to July 6, 2025. The two technological paths pursued in this project include path A – direct conversion of coal or coal waste to graphite by the upgraded carbon ores to products (UCOP) process being developed at the EERC and path B – lignite-derived coal tar pitch (CTP) conversion to graphite (CTP2G) process being developed at CPER. The results from this project validate the two technological approaches and are expected to be an integral part of a portfolio of emerging technologies for making high-quality graphite not only from North Dakota lignite, but from all ranks of U.S. domestic coal and coal waste resources. The quality of the graphite produced by these technologies is high enough for various applications, including batteries for the fast-growing electric vehicle industry, energy storage applications, electric arc furnace electrodes for steel production, and graphene production, among others. Although the two technologies can produce high-quality graphite, they are fundamentally different in that the UCOP technology provides a direct path to transform coal to graphite, while the CTP2G technology needs to go through a CTP intermediate and a coking process for the intermediate, which requires a special facility to accomplish. For application in the industry, the UCOP process is designed to be more flexible, with feedstock to include potentially any carbonaceous material such as all coal ranks and biochar, while the CTP2G process is designed to utilize CTP as the starting precursor. The key project accomplishments include the following: • Successful preparation of high-quality synthetic graphite from North Dakota lignite coal/coal wastes and lignite-derived CTP. • Patent application has been filed for the UCOP process and an internal invention disclosure has been filed for the CTP2G process. • The produced graphite performs better than a commercial battery-grade sample in LIB coin cells, especially fast-charging capability, stability, and long-duration cycling. • Coin-type Li-ion half-cells with CTP2G graphite showed excellent performance, with >370 mAh/g capacity, >90% initial coulombic efficiency, and 93%/67% retention at 1C/2C rate, which outperforms commercial graphite in charging speed, stability, and cycling. • Results of fabricated 18650 cells were consistent with the observations in coin cells. • Preliminary techno-economic analysis (TEA) estimates for the UCOP technology indicate a manufacturing cost of about $\$$39/kg based on 50-metric ton/year capacity. • Preliminary TEA estimates for the CTP2G technology indicate a market price of about $\$$7107/ton ($\$$7/kg) based on 22,000-ton/year production capacity.

01 COAL, LIGNITE, AND PEAT↗

NASA NTRS2004

Developing Advanced Support Technologies for Planetary Exploration Missions

The United States Vision for Space Exploration calls for sending robots and humans to explore the Earth s moon, the planet Mars, and beyond. The National Aeronautics and Space Administration (NASA) is developing a set of design reference missions that will provide further detail to these plans. Lunar missions are expected to provide a stepping stone, through operational research and evaluation, in developing the knowledge base necessary to send crews on long duration missions to Mars and other distant destinations. The NASA Exploration Systems Directorate (ExSD), in its program of bioastronautics research, manages the development of technologies that maintain human life, health, and performance in space. Using a systems engineering process and risk management methods, ExSD s Human Support Systems (HSS) Program selects and performs research and technology development in several critical areas and transfers the results of its efforts to NASA exploration mission/systems development programs in the form of developed technologies and new knowledge about the capabilities and constraints of systems required to support human existence beyond Low Earth Orbit. HSS efforts include the areas of advanced environmental monitoring and control, extravehicular activity, food technologies, life support systems, space human factors engineering, and systems integration of all these elements. The HSS Program provides a structured set of deliverable products to meet the needs of exploration programs. these products reduce the gaps that exist in our knowledge of and capabilities for human support for long duration, remote space missions. They also reduce the performance gap between the efficiency of current space systems and the greater efficiency that must be achieved to make human planetary exploration missions economically and logistically feasible. In conducting this research and technology development program, it is necessary for HSS technologists and program managers to develop a common currency for decision making and the allocation of funding. A high level assessment is made of both the knowledge gaps and the system performance gaps across the program s technical project portfolio. This allows decision making that assures proper emphasis areas and provides a key measure of annual technological progress, as exploration mission plans continue to mature.

Berdich, Debra P.↗

NASA NTRS2004

Developing Advanced Human Support Technologies for Planetary Exploration Missions

The United States Vision for Space Exploration calls for sending robots and humans to explore the Earth's moon, the planet Mars, and beyond. The National Aeronautics and Space Administration (NASA) is developing a set of design reference missions that will provide further detail to these plans. Lunar missions are expected to provide a stepping stone, through operational research and evaluation, in developing the knowledge base necessary to send crews on long duration missions to Mars and other distant destinations. The NASA Exploration Systems Directorate (ExSD), in its program of bioastronautics research, manages the development of technologies that maintain human life, health, and performance in space. Using a system engineering process and risk management methods, ExSD's Human Support Systems (HSS) Program selects and performs research and technology development in several critical areas and transfers the results of its efforts to NASA exploration mission/systems development programs in the form of developed technologies and new knowledge about the capabilities and constraints of systems required to support human existence beyond Low Earth Orbit. HSS efforts include the areas of advanced environmental monitoring and control, extravehicular activity, food technologies, life support systems, space human factors engineering, and systems integration of all these elements. The HSS Program provides a structured set of deliverable products to meet the needs of exploration programs. These products reduce the gaps that exist in our knowledge of and capabilities for human support for long duration, remote space missions. They also reduce the performance gap between the efficiency of current space systems and the greater efficiency that must be achieved to make human planetary exploration missions economically and logistically feasible. In conducting this research and technology development program, it is necessary for HSS technologists and program managers to develop a common currency for decision making and the allocation of funding. A high level assessment is made of both the knowledge gaps and the system performance gaps across the program s technical project portfolio. This allows decision making that assures proper emphasis areas and provides a key measure of annual technological progress, as exploration mission plans continue to mature.

Berdich, Debra P.↗

NASA NTRS1996

Space Mission Operations Concept

Developing a mission operations concept for a space mission is a system engineering process which involves multiple disciplines, working together to describe, in terms of the operators and the users (recipients of the data from the mission), the operational attributes of the flight and ground elements of the mission. A space mission operations concept emphasizes the way the mission is operated/used.

space mission operations mission concepts systems ↗