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At least 217 records · Page 12

Electrochemically Engineered, Highly Energy-Efficient Conversion of Ethane to Ethylene and Hydrogen below 550 °C in a Protonic Ceramic Electrochemical Cell

Ethylene is one of the largest building blocks in the petrochemical industry, mainly produced by steam cracking of ethane derived from naphtha or shale gas at high temperatures (>800 °C). Despite its technical maturity and economic competitiveness, the thermal steam cracking of ethane is highly energy-intensive. In this work, an electrochemically engineered direct conversion process of ethane to produce hydrogen and ethylene using a planar protonic ceramic membrane reactor with a bi-functional three-dimensional catalytic electrode is reported, with a single-pass ethane conversion of 40% and ethylene yield of 26.7% at 550 °C. Compared with the industrial ethane steam cracking, this method saves process energy input by 45.1% and improves process energy efficiency by 50.6%, based on comprehensive process simulation using Aspen Plus software. Further, steam electrolysis treatment under the solid oxide electrolysis cell mode can regenerate the system’s catalytic performance and significantly alleviate catalytic degradation by 74%, demonstrating high techno-economic viability.

bi-functional electrode↗

Refactoring the Curiosity Rover's sample handling architecture on Mars

The Curiosity Mars rover sample handling hardware and software were architected assuming that end-to-end sampling operations would occur in a single rover position, from acquisition of a powdered sample with a scoop or drill, through to the cleaning out of all sample residue in the sample chain. However, after analysis of the first drilled samples in Yellowknife Bay, the science team wanted to iterate with additional experiments on Mars and in laboratories on Earth to better understand their results and increase the value of science returned. With the architecture as conceived, the time needed to do so was in direct competition with the exploration of other targets and satisfaction of success criteria during the prime mission.

Kuhn, Stephen↗

ON THE EFFECTIVENESS OF LLMS IN UNIT TEST GENERATION FOR STRUCTURED TEXT PROGRAMS

The reliability of industrial automation systems heavily depends on the correctness of Programmable Logic Controller (PLC) programs, which are often written in Structured Text (ST). While Large Language Models (LLMs) have shown promise in automating test generation for mainstream programming languages, their effectiveness for the syntactically strict ST language remains underexplored. This thesis presents a systematic empirical evaluation of three state-of-the-art LLMs—GPT-4o, Gemini 2.5 Pro, and Claude Sonnet 4.5—for generating ST unit tests. We examine three prompting strategies: Natural Language (NL), Code Language (CL), and Chain-of-Thought (CoT), across a curated set of 11 ST function blocks. The quality of the generated tests is assessed using Compilation Success Rate (CSR), Statement Coverage (SC), and Branch Coverage (BC). In the zero-shot setting, Claude Sonnet 4.5 achieves the highest CSR, while Gemini 2.5 Pro consistently delivers the best statement and branch coverage, particularly under CL prompts. By incorporating a one-shot CL prompt, all models exhibit substantial improvements—most notably GPT-4o, whose CSR increases from 45.45% to 90.91%, with substantial gains in both SC and BC. To further contextualize these findings, we compare GPT-4o’s one-shot results with PLCAutoTester, a state-ofthe- art ST unit test generation tool, on an additional benchmark dataset. While LLMgenerated tests approach competitive coverage levels, PLCAutoTester maintains significantly higher and more stable coverage across programs. This study provides the first comprehensive benchmark of modern LLMs for ST unit testing, highlighting their strengths, limitations, and improvements through one-shot prompting, and positioning their performance relative to specialized automated testing tools in industrial automation.

42 ENGINEERING↗

New prospects for PV powered water desalination plants: case studies in Saudi Arabia: New prospects for PV powered water desalination plants

Increased water demand and increased drought episodes in the Middle East and other regions necessitate an expansion in desalination projects and create a great market opportunity for photovoltaics (PV). PV-powered desalination has previously been regarded as not being a cost-competitive solution when compared with conventionally powered desalination; however, the decline in PV costs over the last few years has changed this outlook. Here, this article presents up-to-date performance and cost analysis of reverse osmosis (RO) desalination powered with PV connected to the Saudi Arabian grid. Reference cases include relatively small (i.e., producing 6550 m 3 water per day) and large (i.e., 190 000 m 3 /day) desalination plants using seawater at a salinity of 40 000 ppm. We used data from a King Abdullah University for Science and Technology presentation and Hybrid Optimization Model for Electric Renewables 2.81 Energy Modeling Software (HOMER Energy LLC) in tandem with Desalination Economic Evaluation Program 4.0 (International Atomic Energy Agency) desalination software to analyze the techno-economic feasibility of these plants. The first phase of our work entailed a comparison between dual-axis high concentration PV (CPV) equipped with triple junction III/V solar cells and CdTe PV-powered RO systems. The estimated levelized cost of electricity from CPV is 0.16/kWh dollars, whereas that from CdTe PV is $0.10/kWh dollars and 0.09/kWh dollars for fixed-tilt and one-axis tracking systems, respectively. These costs are higher than the price of diesel-based grid electricity in the region because diesel fuel is heavily subsidized in Saudi Arabia.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

ORMATEX

The Oak Ridge Matrix Exponential (ORMATEX) software library contains methods to compute the matrix exponential and the action of the matrix exponential on a vector. Additionally, this package contains the related methods for the phi-functions which commonly appear in a wide class of exponential time integration methods. Krylov methods are provided to evaluate the matrix exponential-vector and phi-vector products for cases where the matrix is large and sparse. Utilizing these methods, ORMATEX implements performant exponential integrators for large systems of coupled ordinary differential equations (ODEs). The exponential time integration routines in ORMATEX are particularly suitable to large, stiff systems of equations. These routines may be utilized as a competitive alternative to classical implicit and explicit time integration schemes for certain classes of differential equations where the problem stiffness can be predominately explained by the linear terms.

Gurecky, William [Oak Ridge National Laboratory (O↗

Data from: "Colonisation of the alpine tundra by trees: alpine neighbours assist late-seral but not early-seral conifer seedlings"

This archive contains data used to support conclusions made in “Colonisation of the alpine tundra by trees: alpine neighbours assist late-seral but not early-seral conifer seedlings”, by Jabis et al., 2020. Data were collected in the alpine field location of the Alpine Treeline Warming Experiment (ATWE), on Niwot Ridge, in the Front Range of the Colorado Rocky Mountains, USA.This package includes survivorship and physiology data for limber pine (Pinus flexilis), Engelmann spruce (Picea engelmannii), and Rocky Mountain snowlover (Chionophila jamesii). Site climate data such as soil moisture and temperature are also included. This data package contains ten comma-separated-values (.csv) files, and two rich-text-format (.rtf) files all compressed within one folder named “Neighbor_data_repository.zip”. Both file types can be opened by text-edit softwares such as TextEdit (Mac) and Notepad (Windows). The files are also compatible with analyses softwares such as R. .csv files can also be opened by Microsoft Excel. Two geospatial datasets are also included in this archive: one keyhole markup language (.kml) file with four points marking the corners of the study site, and a compressed file containing two ESRI shapefiles (.shp). The .kml files can be opened with Google Earth or Google Maps, and the shapefiles can be opened using any geographic information system applications, including the entire ArcGIS suite, and QGIS. -------------------------------------------------------------------------------------------------------------------------------------------------------The elevation mountain treeline is expected to shift upward with climate warming, and seed germination and seedling survival are critical local controls on treeline expansion. Neighboring alpine plants, either through competition for resources or through altering the microclimate, can also affect seedling emergence and survival. We asked whether establishing tree seedlings and an alpine herb are similarly sensitive to alpine plant neighbours under ambient and altered climate. We imposed active heating, watering, and neighbor removal experiments for emerging conifer seedlings and an alpine herb.We compared target plant survival, photosynthetic efficiency, and water use efficiency under ambient and experimental conditions. Picea engelmannii seedlings showed lower survival compared with Pinus flexilis three weeks following neighbour removal, and after 1 year only survived in watered plots. Pinus seedlings responded to neighbour removal by lowering the quantum yield of photosynthesis (ϕPSII). Contrary to expectations from the stress gradient hypothesis, survival was reduced without neighbours near the low-elevation range limit of Chionophila jamesii.

54 ENVIRONMENTAL SCIENCES↗

Functional Imaging of the Foot with Perfusion Angiography in Critical Limb Ischemia

PurposeTo report on the first clinical experience with perfusion angiography (PA) of the foot in patients with chronic critical limb ischemia.Materials and MethodsPA is a post-processing software algorithm and no extra digital subtraction angiography (DSA) has to be performed for this analysis. The data used to test the feasibility of PA were obtained from a consecutive group of 89 patients with CLI who were treated with standard below the knee angioplasty and 12 separate patients who were not suitable for endovascular revascularization.ResultsMotion artifacts in the dataset of the DSA made post-procedural analysis impossible in 10 % intervention. In the majority of patients (59/68) PA showed an increase in volume flow in the foot after successful angioplasty of the crural vessels. However, in 9/68 patients no increase was seen after successful angioplasty. With the use of a local administered competitive α-adrenergic receptor antagonist, it is also possible to test and quantify the capillary resistance index which is a parameter for the remaining functionality of the microcirculation in CLI patients.ConclusionPA might be used as a new endpoint for lower limb revascularization and can also be used to test the functionality the microcirculation to identify sub-types of patients with CLI. Clinical evaluation and standardization of PA is mandatory before introduction in daily practice.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

A Model for Lean Corporate/ Startup Interfaces: Unlocking Resources of Midcap Corporations Providing a Pathway to Advanced Energy Technologies

Commercializing energy technologies through traditional market pathways is challenging for early-stage energy innovators. Development cycles in energy are long and expensive, and adoption is difficult, making energy technologies of limited interest to venture capital relative to industries with faster growth and shorter product life cycles such as life sciences and software. As such, partnerships with established corporations are one of the most promising, and in some cases only, go-to-market pathways for energy technologies. Startups often seek to work with, large well-known Fortune 500 (and similar) companies. However, the size and risk aversion of those firms often makes partnering challenging. It can take well over 12 months for a large corporation to agree to commercial terms and get internal board / management approval to move forward with a binding agreement with a startup for even a simple starting partnership. This timeline is prohibitive for most early-stage companies who are both time and money constrained, and often working in highly competitive commodity sectors. Mid-cap corporations ($\$ $100M to $\$ $10B) are a promising but untapped resource for partnering with technology developers because they are often nimbler, tend to be fiercely competitive, and are looking for new revenue or cost-saving opportunities. These factors make them both more receptive to disruptive technologies, and more capable of integrating them. However, while Fortune 500 companies often have venturing groups that facilitate the initial connection process, most midcap incumbents do not have the resources to create standalone corporate venture groups. As a result, although they could help each other significantly (startup technologies make midcaps more competitive; midcaps offer a faster commercialization pathway to startups), midcap companies and startups rarely work together. In 2017, ADL Ventures (ADL) received Award #DE-EE0008111 from DOE EERE’s Innovative Pathways program to unlock the domain expertise and material resources of midcap companies. The goal of the award was to support energy technology commercialization via an innovation platform for startups to interface with midcap corporations. During the grant period, we have developed a novel open innovation platform that allows financially conservative incumbents to efficiently engage with energy innovators and startups, thereby unlocking the incumbents’ domain expertise, strategic capital, R&D facilities, supply chain, and pathways to market. We have executed full-scale open innovation challenges for three clients, exceeding the initial proposed goal of two. We also built a diversified opportunity pipeline which resulted in four projects contracted for 2020, meeting the goals of the proposal, with others pending.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Microwave Readout Techniques for Very Large Arrays of Nuclear Sensors

During this project, we transformed the use of microwave readout techniques for nuclear sensors from a speculative idea to reality. The core of the project consisted of the development of a set of microwave electronics able to generate and process large numbers of microwave tones. The tones can be used to probe a circuit containing a series of electrical resonances whose frequency locations and widths depend on the state of a network of sensors, with one sensor per resonance. The amplitude and phase of the tones emerging from the circuit are processed by the same electronics and are reduced to the sensor signals after two demodulation steps. This approach allows a large number of sensors to be interrogated using a single pair of coaxial cables. We successfully developed hardware, firmware, and software to complete a scalable implementation of these microwave control electronics and demonstrated their use in two areas. First, we showed that the electronics can be used at room temperature to read out a network of diverse sensor types relevant to safeguards or process monitoring. Second, we showed that the electronics can be used to measure large numbers of ultrasensitive cryogenic sensors such as gamma-ray microcalorimeters. In particular, we demonstrated the undegraded readout of up to 128 channels and established a path to even higher multiplexing factors. These results have transformed the prospects for gamma-ray spectrometers based on cryogenic microcalorimeter arrays by enabling spectrometers whose collecting areas and count rates can be competitive with high purity germanium but with 10x better spectral resolution.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

5G integrated edge computing platform for efficient component monitoring in coal-fired power plants

This project developed a cutting-edge 5G-integrated edge computing framework to enhance operational efficiency and reliability in coal-fired power plants through real-time component monitoring and anomaly detection. The initiative focused on leveraging distributed machine learning, federated learning, and 5G-based dynamic network slicing to support scalable, fault-tolerant monitoring environments to meet the operational requirements in industrial control systems. With a Distributed Edge Computing Service (DECS) orchestration, this project enabled federated learning at edge for condition monitoring and introduced adaptive client selection strategies to minimize communication overhead. Scalable distributed training was achieved using the Horovod framework, thus enhancing performance across edge nodes. In the realm of 5G networking, the project designed and deployed reconfigurable, QoS-aware network slicing tailored for operational technology (OT) environments, integrating software-defined networks to bolster cyber-resilience and enabling dynamic slicing for federated learning workloads. A significant milestone was the development of a virtualized ICS environment with 5G core integration—which allowed elastic and fault tolerant distributed training on real-world datasets such as NASA Bearings, Hydraulic Systems, and TEP. To broaden the impact of the project, a TRL-3 virtualized ICS testbed for research and education was designed. This project engaged several graduate and undergraduate students to conduct research on the cutting-edge technology, and it resulted in one PhD dissertation, one MS thesis, and over 14 peer-reviewed publications. With the support of this project students also participated in national cybersecurity competitions to improve their professional development skills.

20 FOSSIL-FUELED POWER PLANTS↗

MO-E-BRD-01: Adapt-A-Thon - Texas Hold’em Invitational

Software tools for image-based adaptive radiotherapy such as deformable image registration, contour propagation and dose mapping have progressed beyond the research setting and are now commercial products available as part of both treatment planning systems and stand-alone applications. These software tools are used together to create clinical workflows to detect, track and evaluate changes in the patient and to accumulate dose. Deviations uncovered in this process are used to guide decisions about replanning/adaptation with the goal of keeping the delivery of prescribed dose “on target” throughout the entire course of radiotherapy. Since the output from one step of the adaptive process is used as an input for another, it is essential to understand and document the uncertainty associated with each of the step and how these uncertainties are propagated. This in turn requires an understanding how the underlying tools work. Unfortunately, important details about the algorithms used to implement these tools are scarce or incomplete, too often for competitive reasons. This is in contrast to the situation involving other basic treatment planning algorithms such as dose calculations, where the medical physics community essentially requires vendors to provide physically important details about their underlying theory and clinical implementation. Vendors should adopt this same level of information sharing when it comes to the tools and techniques for image guided adaptive radiotherapy. The goal of this session is to start this process by inviting vendors and medical physicists to discuss and demonstrate the available tools and describe how they are intended to be used in clinical practice. The format of the session will involve a combination of formal presentations, interactive demonstrations, audience participation and some friendly “Texas style” competition. Learning Objectives: Understand the components of the image-based adaptive radiotherapy process. Understand the how these components are implemented in various commercial systems. Understand the different use cases and workflows currently supported these tools.

60 APPLIED LIFE SCIENCES↗

International Ultraviolet Explorer Observatory operations

This volume contains the final report for the International Ultraviolet Explorer IUE Observatory Operations contract. The fundamental operational objective of the International Ultraviolet Explorer (IUE) program is to translate competitively selected observing programs into IUE observations, to reduce these observations into meaningful scientific data, and then to present these data to the Guest Observer in a form amenable to the pursuit of scientific research. The IUE Observatory is the key to this objective since it is the central control and support facility for all science operations functions within the IUE Project. In carrying out the operation of this facility, a number of complex functions were provided beginning with telescope scheduling and operation, proceeding to data processing, and ending with data distribution and scientific data analysis. In support of these critical-path functions, a number of other significant activities were also provided, including scientific instrument calibration, systems analysis, and software support. Routine activities have been summarized briefly whenever possible.

Source record↗

TH-EF-BRB-07: Novel Hardware and Software Platform for Intermediate Energy 4π Radiotherapy

Purpose: To develop a robust and efficient platform for the optimization and robotic delivery of highly noncoplanar intensity modulated radiotherapy, which enables significant reduction of normal tissue toxicity and escalation of tumor dose. Methods: An innovative high-output compact 3 MV linac was designed for mounting onto a commercial robotic system in order to access the entire 4π beam solution space without moving the patient couch. The use of intermediate energy X-rays for radiotherapy was evaluated in comparison to clinical plans delivered using 6 MV X-rays and a state-of-the-art delivery system. Monte Carlo simulations of a 3 MV percent depth dose curve were performed for intermediate energy dose calculation. The beam model was used to create a convolution/superposition-based dose calculation engine for 3MV X-rays. The 4π greedy column generation algorithm was used for optimized beam selection and fluence map optimization. Results: A detailed design of the first 3 MV linac capable of producing a competitively high dose rate of >800 cGy/min at 100 cm was completed and verified through extensive simulation. The complete linac head including a multileaf collimator can access most of the 4π solution space including the posterior orientations without changing the couch height. When compared to 6 MV clinical plans, the proposed 3 MV 4π plans demonstrated significantly better dose compactness and normal tissue sparing in brain, prostate, and partial breast treatment plans. Conclusion: We demonstrate the design of a highly versatile radiotherapy machine to natively deliver non-coplanar 4π radiotherapy without the need to move the patient during treatment. This novel platform is efficient and capable of providing dosimetry that is 30–50% more compact than existing therapy platforms. The new system is projected to be cost effective due to improved treatment time and automation. NIH R43CA183390, NIH R01CA188300.

60 APPLIED LIFE SCIENCES↗

Adventures on the C 3 H 5 O potential energy surface: OH+propyne, OH+allene and related reactions

We mapped out the stationary points and the corresponding conformational space on the C 3 H 5 O potential energy surface relevant for the OH + allene and OH + propyne reactions systematically and automatically using the KinBot software at the UCCSD(T)-F12b/cc-pVQZ-F12//M06-2X/6-311++G(d,p) level of theory. We used RRKM-based 1-D master equations to calculate pressure- and temperature-dependent, channel-specific phenomenological rate coefficients for the bimolecular reactions propyne + OH and allene + OH, and for the unimolecular decomposition of the CH 3 CCHOH, CH 3 C(OH)CH, CH 2 CCH 2 OH, CH 2 C(OH)CH 2 primary adducts, and also for the related acetonyl, propionyl, 2-methylvinoxy, and 3-oxo-1-propyl radicals. The major channel of the bimolecular reactions at high temperatures is the formation propargyl + H 2 O, which makes the title reactions important players in soot formation at high temperatures. However, below ~1000 K the chemistry is more complex, involving the competition of stabilization, isomerization and dissociation processes. We found that the OH addition to the central carbon of allene has a particularly interesting and complex pressure dependence, caused by the low-lying exit channel to form ketene + CH 3 bimolecular products. In this study, we compared our results to a wide range of experimental data and assessed possible uncertainties arising from certain aspects of the theoretical framework.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Lyndon B. Johnson Space Center (JSC) proposed dual-use technology investment program in intelligent robots

This paper presents an overview of the proposed Lyndon B. Johnson Space Center (JSC) precompetitive, dual-use technology investment project in robotics. New robotic technology in advanced robots, which can recognize and respond to their environments and to spoken human supervision so as to perform a variety of combined mobility and manipulation tasks in various sectors, is an obejective of this work. In the U.S. economy, such robots offer the benefits of improved global competitiveness in a critical industrial sector; improved productivity by the end users of these robots; a growing robotics industry that produces jobs and profits; lower cost health care delivery with quality improvements; and, as these 'intelligent' robots become acceptable throughout society, an increase in the standard of living for everyone. In space, such robots will provide improved safety, reliability, and productivity as Space Station evolves, and will enable human space exploration (by human/robot teams). The proposed effort consists of partnerships between manufacturers, universities, and JSC to develop working production prototypes of these robots by leveraging current development by both sides. Currently targeted applications are in the manufacturing, health care, services, and construction sectors of the U.S. economy and in the inspection, servicing, maintenance, and repair aspects of space exploration. But the focus is on the generic software architecture and standardized interfaces for custom modules tailored for the various applications allowing end users to customize a robot as PC users customize PC's. Production prototypes would be completed in 5 years under this proposal.

Erikson, Jon D.↗

Lyndon B. Johnson Space Center (JSC) proposed dual-use technology investment program in intelligent robotics

This paper presents an overview of the proposed Lyndon B. Johnson Space Center (JSC) precompetitive, dual-use technology investment project in robotics. New robotic technology in advanced robots, which can recognize and respond to their environments and to spoken human supervision so as to perform a variety of combined mobility and manipulation tasks in various sectors, is an objective of this work. In the U.S. economy, such robots offer the benefits of improved global competitiveness in a critical industrial sector; improved productivity by the end users of these robots; a growing robotics industry that produces jobs and profits; lower cost health care delivery with quality improvements; and, as these 'intelligent' robots become acceptable throughout society, an increase in the standard of living for everyone. In space, such robots will provide improved safety, reliability, and productivity as Space Station evolves, and will enable human space exploration (by human/robot teams). The proposed effort consists of partnerships between manufacturers, universities, and JSC to develop working production prototypes of these robots by leveraging current development by both sides. Currently targeted applications are in the manufacturing, health care, services, and construction sectors of the U.S. economy and in the inspection, servicing, maintenance, and repair aspects of space exploration. But the focus is on the generic software architecture and standardized interfaces for custom modules tailored for the various applications allowing end users to customize a robot as PC users customize PC's. Production prototypes would be completed in 5 years under this proposal.

Erickson, Jon D.↗

Cost optimization of low-salt-rejection reverse osmosis

Low-salt-rejection reverse osmosis (LSRRO) is an emerging membrane-based desalination technology for concentrating brines with potentially lower energy consumption and cost than thermally driven processes. We assess the technoeconomic performance of LSRRO by using an optimization model that minimizes the levelized cost of water (LCOW). We develop detailed models for the RO module and other equipment using WaterTAP (Water treatment Technoeconomic Assessment Platform), an open-source simulation and optimization software for water treatment. We improve upon previous LSRRO cost optimization studies by optimizing the salt permeability for each stage, which has significant implications for technoeconomic performance. We present the cost-optimal design, operation, and performance for three cases: 35 g/L TDS feed at 70% recovery, 70 g/L at 55%, and 125 g/L at 35%. The cost-optimal LCOW and specific energy consumption (SEC) for these cases are 0.70, 1.89, and 7.41 $/m 3 and 3.9, 8.4, and 30.4 kWh/m 3 , respectively. For each case, we use sensitivity analyses to provide guidance on key factors that impact economic viability. We also present the cost-optimal LCOW and SEC for feed concentrations between 5 and 220 g/L TDS and recoveries between 30 and 90%. So, we compare LSRRO to other high-salinity desalination technologies and find that it may be cost-competitive below feed concentrations of 125 g/L.

54 ENVIRONMENTAL SCIENCES↗

Building the Business Case with JUSTIFI: Quantifying Multiple Benefits in the Automotive Industry

The Michigan State University Industrial Training and Assessment Center (MSU ITAC) conducted a pilot study at an automotive parts manufacturer in Michigan. The study identified energy-productivity enhancements through the application of the JUSTIFI software. Key recommendations included replacing six inefficient rooftop units (RTUs) with a new air rotational unit. By quantifying operational savings for this project, the expected payback period went from 6.6 years to 1.4 years. Additionally, the installation of variable frequency drives (VFDs) on condenser tower motors was suggested. By including all operational benefits, the payback period was reduced from 8.2 years to 1.3 years. This comprehensive analysis aims to bolster the manufacturer's goals of reducing energy while enhancing overall operational efficiency.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗