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NASA NTRSDate not supplied

Preliminary Findings of the Experimental Development Unit Cold Flow Test for a Generation Zero Nuclear Propulsion Engine

Nuclear thermal propulsion (NTP) technology will greatly benefit human travel to Mars by significantly shortening transit times, improving crew safety, and providing more mission flexibility than traditional chemical rockets. As part of DRACO follow-on work to develop, build, and fly a generation zero NTP engine, a full scale flight-like experimental design unit (EDU) reactor was constructed to collect sufficient on-ground performance data to characterize flow induced vibrations (FIV) of critical reactor structures/components, inform development of the engine and reactor control algorithm, and collect pressure drop and flow distribution data across the reactor. The fluid conditions for the test program were designed to achieve system responses equivalent to that of an operational engine through all phases of engine operation including reactor startup, mainstage operation, reactor shutdown, and reactor cooldown. Over 100 tests were executed, flowing either GN2 or GHe through the EDU at varying flow rates and pressures. This experiment provided early validation of flow behavior and vibration risks before nuclear testing, boosted critical subsystem TRLs, informed design iterations, and reduced future test costs. The steady-state flow parameters for the experiment were modeled in Ansys Thermal Desktop, allowing rapid tuning and experiment-informed updates to a flight-like test matrix. The EDU dynamic environment was characterized with accelerometers, strain gauges, and high-frequency pressure transducers all sampled at 20 kHz. While many narrow-band oscillations were identified, no significant FIV occurred; the reactor structural responses tend to be enveloped by typical launch vehicle ascent vibration environments (defined up to 2 kHz), although significant energy is also present at higher frequencies.

Flow Induced Vibration↗
NASA NTRSDate not supplied

Acoustic Flight Test of the Joby Aviation Advanced Air Mobility Prototype Vehicle

An extensive acoustic flight test was performed on the Joby Aviation pre-production all-electric vertical takeoff and landing prototype. With the design intent of carrying a pilot and four passengers a maximum range of 150 miles, this vehicle utilizes distributed propulsion and vectored thrust via six tilting propellers. As part of the Advanced Air Mobility (AAM) National Campaign, this is the first full-scale AAM aircraft tested by NASA over representative conditions for all phases of a typical mission profile. A 58- channel distributed microphone array was used to acquire acoustic measurements on more than 100 test points (31 unique conditions). The measurements were postprocessed with synchronously sampled vehicle position and state data to form ground noise contours of departures and approaches at various flight path angles and accelerations. Comparing ground areas of 75 dBA isolines, approaches consistently exhibit higher noise levels rela- tive to departures. Directivity maps were generated for constant airspeed level flyovers. Examples comparing the differences in a semi-thrust borne and full wing-borne mode are given, with full wing-borne mode representing the quietest phase of the flight envelope tested. Measurements for hover in and out of ground effect are given and found to have 2 to 5 dB variation over a single run, and more significant variation between back-to-back runs. Finally, initial analysis of acoustic symmetry about the longitudinal vehicle axis and repeatability over several test days are presented.

Acoustics↗
DOE OSTI2018

Project 57 Air Monitoring Report: January 1 through December 31, 2017

On April 24, 1957, the Atomic Energy Commission (AEC) (now the Department of Energy [DOE]) conducted the Project 57 safety experiment in western Emigrant Valley northeast of the Nevada National Security Site (NNSS, formerly the Nevada Test Site) on lands withdrawn by the Department of Defense (DOD) for the Nevada Test and Training Range (NTTR). The test was undertaken to develop (1) a means of estimating plutonium distribution resulting from a non-nuclear detonation; (2) biomedical evaluation techniques for use in plutonium-laden environments; (3) methods of surface decontamination; and (4) instruments and field procedures for prompt estimation of alpha contamination (Shreve, 1958). Although the test did not result in the fission of nuclear materials, it did disseminate plutonium across the land surface. Following the experiment, the AEC fenced the contaminated area and returned control of the surrounding land to the DOD. Various radiological surveys were performed in the area and in 2007, the DOE expanded the demarked Contamination Area (CA) by posting signs 200 to 400 ft (60 to 120 m) outside of the original fence. Plutonium in soil attaches preferentially to smaller particles (Tamura, 1985; Friesen, 1992; Murarik et al., 1992; and Misra et al., 1993). Therefore, redistribution of soil particles by wind (dust) and water are the mechanisms most likely to transport plutonium beyond the boundary of the Project 57 CA. Monitoring was implemented in 2011 by Desert Research Institute (DRI) to determine if radionuclide contamination was detectable in samples of airborne dust and to characterize meteorological and environmental parameters that influence dust transport. Initially, two monitoring stations consisting of radiological, meteorological, and dust sampling equipment were installed near the southeast and northeast corners of the CA. In January 2015, the original monitoring stations were dismantled and moved farther to the west along the CA boundary. This move was made to place the monitoring stations downwind of ground zero and the High Contamination Area (HCA) during the dominant northerly and southerly winds. Samples of particles suspended in the air are collected every two weeks and submitted for laboratory assessments of gross alpha and gross beta radioactivity, and for determinations of gamma-emitting radionuclides. In calendar year (CY) 2017, the mean gross alpha concentration at monitoring station P57-4 was approximately 4.25 times the value at monitoring station P57-3. In CY2015 and CY2016, the difference in mean gross alpha concentration at the two stations was approximately 1.5. The mean gross alpha concentrations at P57-3 and P57-4 were approximately 1.9 and 7.9 times, respectively, the mean gross alpha concentrations at the surrounding Community Environmental Monitoring Program (CEMP) stations. The minimum gross alpha concentrations reported for the Project 57 stations are in the range of the minimum values observed at the CEMP stations. However, maximum gross alpha concentrations are greater than the maximum concentrations observed at the surrounding CEMP stations. Gamma spectroscopy analyses resulted in the detection of seven radionuclides. Except for americium-241 (Am-241), all reported radionuclides occur naturally in the environment. The Am-241 detection by gamma spectroscopy was confirmed by alpha spectroscopy. During each quarter of CY2017, four suspended particulate matter samples were selected for alpha spectroscopy analysis. Two were selected each quarter from the regular biweekly samples collected at each of the two monitoring stations. Of the eight samples from P57-3, one was reported to have plutonium-238 (Pu-238) above the minimum detectable activity (MDA) and five were reported to have plutonium 239/240 (Pu-239/240) above the MDA. Of the eight samples from P57-4, three were reported to have Pu-238 above the MDA and six were reported to have Pu-239/240 above the MDA. Soil material is also transported by saltation, which is a wind driven phenomena that bounces sand-sized soil particles across the land surface because they are too heavy to be suspended in the air. Samples of particles transported by saltation were collected downwind and upwind of the CA at both monitoring stations in May 2017 after a 190-day deployment and again in September 2017 after a 114-day deployment. Mass of the saltation samples was determined after oven drying. The September sample had greater mass than the May sample. The same relationship was observed for the suspended particulate matter samples during periods of saltation sample collection. The difference in the collected mass appears to be because of the amount of soil moisture. Higher soil moisture exerts additional isotopic bonds between soil particles and water molecules, and between water molecules that envelop soil particles, making it more difficult for wind to raise the particles as dust. In general, samples collected from saltation traps facing south contained more material than samples collected from traps facing north. This suggests that although saltation material may have been moving back and forth in conjunction with the two dominant wind directions, there was a net trend for saltation material to be transported toward the north. Radiological analyses of the saltation samples show that the smaller particle size faction (<63 μm) generally produced the highest activity levels of Am-241, Pu-238, and Pu-239/240. In general, the isotope activity levels decreased as the particle size increased. These results are consistent with the expectation that the greatest potential for transport of radiological contamination is with the smaller particles. Thermoluminescent dosimeters (TLDs) indicated that the average annual external radioactivity dose at the monitoring stations is slightly higher than the dose determined at the surrounding CEMP stations, but approximately half of the estimated national average dose received by the general public from exposure to natural sources. The TLDs at the Project 57 monitoring stations are exposed to both natural sources (terrestrial and cosmic) and radioactive releases from the Project 57 CA. Winds in excess of approximately 15 mph (24 km/hr) begin to generate dust movement by saltation or suspension, as determined by the monitoring instruments. Saltated particles, PM10 (i.e., inhalable dust), and PM2.5 (i.e., fine particulate dust) exhibit an approximately exponential increase with increasing wind speed. The greatest concentrations of dust occurred for winds exceeding 20 mph (32 km/hr). When the wind/dust analysis was performed for winds separated into the dominant northerly and southerly wind directions, it was evident that the northerly winds generated the higher PM10 concentrations and had the dominate influence on the PM10 concentration determined for all wind speeds when all wind directions were evaluated together. During the year, winds in excess of 20 mph (32 km/hr) occurred approximately one percent of the time. Although winds sufficient to generate dust occur at the Project 57 site, they are infrequent and of short duration. A preliminary assessment of individual wind events suggests that dust generation in response to specific wind conditions is highly variable. Wind speeds that would be expected to generate noticeable dust may not do so in every instance. Additionally, saltation transport in response to wind conditions was less common than expected. These variations were likely because of the influence of meteorological and environmental parameters other than wind.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2019

Forming Aggregations using Virtual Sharding: Lessons Learned from Simple Scalable Storage (S3)

Data aggregation is the ability to combine separate datasets to form a single new logical dataset provides users with a powerful abstraction. The advantage of an aggregate dataset is that the users are freed from having to understand, and incorporate into their workflow, knowledge about the (ad hoc) organization of the constituent datasets. However, aggregating large numbers of files can be computationally complex with data server systems performing many repetitive operations. As part of the authors work on subsetting data stored on Amazon Web Service (AWS) Simple Storage Service (S3), we developed technology to read portions of otherwise monolithic data files. This enables the formation of virtual shards for user in subsetting data stored in HDF5 (hierarchical data format, version 5) files. This same tool can be used to form aggregations that combine data stored in many HDF5 files when those files are stored on S3. The nature of the virtual sharding and the algorithm that exploits it for subsetting is such that it can also be used for aggregation with the need for many of the repetitive operations required by the per file aggregation techniques. We will present timing information that demonstrates the flexibility of this approach. However, the lessons learned is that while this is a useful result in and of itself, these very same techniques can be applied in other contexts where data are stored in services and on media other than S3. For example, this same technique can be applied to data stored on spinning disk. Pushing the envelope for S3 forced a reexamination of our data access techniques which lead to unexpected positive benefits.

Gallagher, James↗
DOE OSTI2019

A combined experimental and computational study on the reaction dynamics of the 1-propynyl radical (CH 3 CC; X 2 A 1 ) with ethylene (H 2 CCH 2 ; X 1 A 1g ) and the formation of 1-penten-3-yne (CH 2 CHCCCH 3 ; X 1 A')

The crossed molecular beam reactions of the 1-propynyl radical (CH 3 CC; X 2 A 1 ) with ethylene (H 2 CCH 2 ; X 1 A 1g ) and ethylene-d4 (D 2 CCD 2 ; X 1 A 1g ) were performed at collision energies of 31 kJ mol ₋1 under single collision conditions. Combining our laboratory data with ab initio electronic structure and statistical Rice–Ramsperger–Kassel–Marcus (RRKM) calculations, we reveal in this work that the reaction is initiated by the barrierless addition of the 1-propynyl radical to the π-electron density of the unsaturated hydrocarbon of ethylene leading to a doublet C 5 H 7 intermediate(s) with a life time(s) longer than the rotation period(s). The reaction eventually produces 1-penten-3-yne ( p1 ) plus a hydrogen atom with an overall reaction exoergicity of 111 ± 16 kJ mol ₋1 . About 35% of p1 originates from the initial collision complex followed by C–H bond rupture via a tight exit transition state located 22 kJ mol ₋1 above the separated products. The collision complex ( i1 ) can also undergo a [1,2] hydrogen atom shift to the CH 3 CHCCCH 3 intermediate (i2) prior to a hydrogen atom release; RRKM calculations suggest that this pathway contributes to about 65% of p1 . In higher density environments such as in combustion flames and circumstellar envelopes of carbon stars close to the central star, 1-penten-3-yne ( p1 ) may eventually form the cyclopentadiene (c-C 5 H 6 ) isomer via hydrogen atom assisted isomerization followed by hydrogen abstraction to the cyclopentadienyl radical (c-C 5 H 5 ) as an important pathway to key precursors to polycyclic aromatic hydrocarbons (PAHs) and to carbonaceous nanoparticles.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

From models to reality: a systematic review on simulated and measured residential heat pump energy savings

High-performance HVAC solutions are central to residential energy management. A substantial share of these are electric, reversible-cycle systems, with heat pumps representing the largest portion of current and near-term adoption. This review synthesizes peer-reviewed and grey literature on residential space heating and cooling heat pumps. The academic literature is dominated by modeling (73.8%), with limited field measurement (13.1%). Grey literature from United States serve as a supplemental resource providing measured savings. Conversions from electric-resistance heating consistently show the largest site energy reductions, while oil/propane baselines yield moderate savings, and gas baseline scenario often deliver small and region-dependent savings. This study cross-checks the grey literature measured data with simulation data filtered from the ResStock dataset. The comparison indicates a discrepancy between simulations and measured data: simulated site EUIs are typically lower than measured EUIs, but percentage energy savings fall in similar ranges, implying simulations capture directional effects while underestimating energy use. Factors associated with variability and model–measurement differences include system characterization and control representation (e.g., backup heat engagement, thermostat/setpoint strategies, commissioning/installation quality), occupant behavior, weather normalization, metering scope, and envelope characterization. This paper also outlines the proposed methodology for comparing simulation and measured data for heat pumps. It emphasizes the metrics used for comparison and units harmonization, building characteristics matching, and compact metadata are needed for simulations to match measured data. The proposed methodology is expected to improve the credibility of simulated savings as measured evidence grows.

Yu, Lili↗
NASA NTRS2010

Implications of Wind-Assisted Aerial Navigation for Titan Mission Planning and Science Exploration

The recent Titan Saturn System Mission (TSSM) proposal incorporates a montgolfiere (hot air balloon) as part of its architecture. Standard montgolfiere balloons generate lift through heating of the atmospheric gases inside the envelope, and use a vent valve for altitude control. A Titan aerobot (robotic aerial vehicle) would have to use radioisotope thermoelectric generators (RTGs) for electric power, and the excess heat generated can be used to provide thermal lift for a montgolfiere. A hybrid montgolfiere design could have propellers mounted on the gondola to generate horizontal thrust; in spite of the unfavorable aerodynamic drag caused by the shape of the balloon, a limited amount of lateral controllability could be achieved. In planning an aerial mission at Titan, it is extremely important to assess how the moon-wide wind field can be used to extend the navigation capabilities of an aerobot and thereby enhance the scientific return of the mission. In this paper we explore what guidance, navigation and control capabilities can be achieved by a vehicle that uses the Titan wind field. The control planning approach is based on passive wind field riding. The aerobot would use vertical control to select wind layers that would lead it towards a predefined science target, adding horizontal propulsion if available. The work presented in this paper is based on aerodynamic models that characterize balloon performance at Titan, and on TitanWRF (Weather Research and Forecasting), a model that incorporates heat convection, circulation, radiation, Titan haze properties, Saturn's tidal forcing, and other planetary phenomena. Our results show that a simple unpropelled montgolfiere without horizontal actuation will be able to reach a broad array of science targets within the constraints of the wind field. The study also indicates that even a small amount of horizontal thrust allows the balloon to reach any area of interest on Titan, and to do so in a fraction of the time needed by the unpropelled balloon. The results show that using the Titan wind field allows an aerobot to significantly extend its scientific reach, and that a montgolfiere (unpropelled or propelled) is a highly desirable architecture that can very significantly enhance the scientific return of a future Titan mission.

aerobot↗
NASA NTRS2018

A Study of Shape Memory Polymer Based Slat-Cove Filler

Aircraft noise reduction is an application of current intense interest for which smart materials show significant potential. Specifically, the aeroacoustic noise produced by the unsteady aerodynamic flow about the leading-edge high-lift device, such as leading-edge slat, of typical transport-aircraft wings is of particular interest. Concepts with the most promise to mitigate this noise source, most notably the slat-cove filler concept, have focused on highly reconfigurable structures that change shape between different phases of the flight envelope. These shape changes often involve large deformation, which has stimulated the consideration of shape memory materials. In recent years, shape memory materials (SMMs) have drawn greater interest for applications such as smart fabrics, intelligent medical devices, self-deployable space structures, morphing structures and packaging. Compared to other shape memory materials, like shape memory alloys (SMAs) or shape memory ceramics (SMCs), shape memory polymers (SMPs) have desirable advantages such as high elastic deformation to enable large shape change, broad tailorability of mechanical properties, potential biocompatibility and biodegradability, ductility, light weight and ease of processing. However, SMPs still have some critical disadvantages such as insufficient mechanical and thermal characteristics for structural applications, low recovery stress, and long response time. The new LaRC shape memory thermosetting polymer composite (LaRC-SMPC) discussed herein was synthesized with nontoxic monomers and conductive/magnetic fillers to yield enhanced thermal/mechanical characteristics and faster response times. LaRC-SMPCs with a variety of fiber reinforcements [Kevlar®, carbon fiber (standard and thin-ply), and carbon-nanotube (CNT) sheet] were fabricated to tailor the physical properties and test for suitability as a slat-cove filler (SCF). The performance of SCF prototypes fabricated with the developed LaRC-SMPCs was evaluated using a bench-top test apparatus. The SCFs made of Kevlar® fiber fabric or carbon fiber fabric infused shape memory polymer composite (SMPC) exhibited kinking during simulated deployment and stowage, which can be problematic during operation. The SCF made of CNT sheet/SMP composite did not exhibit kinking, but the deployment was sluggish compared to carbon fiber fabric/SMP composite. This report documents the evolution of designing SMPCs as slat-cove fillers for aircraft noise reduction. In the course of the investigation, several 2 approaches were investigated to address shortcomings in material characteristics based on performance requirements of operational slat-cove fillers.

Kang, Jin Ho↗
NASA NTRS1979

Rough surface wavelength measurement through self mixing of Doppler microwave backscatter

A microwave backscatter technique is presented that has the ability to sense the dominant surface wavelength of a random rough surface. The purpose of this technique is to perform this measurement from an aircraft or spacecraft, wherein the horizontal velocity of the radar is an important parameter of the measurement system. Attention will be directed at water surface conditions for which a dominant wavelength can be defined, then the spatial variations of reflectivity will have a two dimensional spectrum that is sufficiently close to that of waves to be useful. The measurement concept is based on the relative motion between the water waves and a nadir looking radar, and the fact that while the instantaneous Doppler frequency at the receiver returned by any elementary group of scatterers on a water wave is monotonically changing, the difference in the Doppler frequency between any two scattering 'patches' stays approximately constant as these waves travel parallel to the major axis of an elliptical antenna footprint. The results of a theoretical analysis and a laboratory experiment with a continuous wave (CW) radar that encompasses several of the largest waves in the illuminated area show how the structure in the Doppler spectrum of the backscattered signal is related to the surface spectrum and its parameters in an especially direct and simple way when an incoherent envelope detector is the receiver.

Weissman, D. E.↗
DOE OSTI2014

Practical Application of Hygrothermal Modeling of West Coast Wood Deck Systems

Roofing systems—particularly in the western part of the United States—are often installed directly to a wood deck, with the building’s insulation below the deck. This construction assembly has a long track record of performance and generally has been used without consequence with traditional built-up roof systems. In recent years, there has been an increase in “conversation” in the roofing industry about anecdotal instances of wood deck deterioration being discovered a relatively short period of time after a roofing system has been installed. Investigations into these occurrences have generally concluded that interior moisture is condensing on the wood deck and causing rot. Hygrothermal modeling of specific roofing systems has confirmed these conclusions. These failures are not being caused by roofing system leaks but by the movement of moisture through the insulation and into the deck and roofing assembly. Unfortunately, these types of failures are becoming more common as the roofing industry (driven by a variety of influences, including regulatory mandate) moves from traditional built-up roofing systems in these markets to reflective membranes—either white or highly reflective “cool”-colored single-ply membranes or white reflective cap sheets. The application of reflective coating can also result in this type of failure....Based on the need for some practical guidelines, a research project was initiated with Oak Ridge National Laboratory’s (ORNL) Building Envelope Group to model the potential for wood deck deterioration under a variety of conditions and to provide guidelines for the amount of insulation that should be installed over a wood deck to reduce this risk.

42 ENGINEERING↗
DOE OSTI2024

Risk Considerations of Transitioning CO2-EOR Field to CO2 storage Field: Case Study

In the United States (U.S.), carbon dioxide (CO2) injection wells at EOR sites are currently regulated as Class II wells under the U.S. Environmental Protection Agency’s (EPA) Underground Injection Control (UIC) program while dedicated geological CO2 storage (GCS) wells are considered Class VI wells. A CO2-EOR facility considering a transitioning from tertiary oil recovery to injecting CO2 for the primary purpose of long-term storage is required to obtain a Class VI permit where this transition poses an increased risk to underground sources of drinking water. This study considers how transitioning operations from CO2-EOR to storage can impact reservoir plume and pressure transient in the storage envelope, and how these changes could impact area of review and potential unwanted fluid migration. We developed a case study to assess subsurface response and leakage risks associated with a representative, hypothetical operation in a carbonate reservoir. This reservoir transitions from tertiary hydrocarbon recovery to dedicated GCS. Reservoir simulations were run for a set of credible CO2-EOR scenarios to estimate distributions of fluids phases and pressures throughout the model domain after CO2 flooding as well as forecasting the behavior of the reservoir after the transition to a dedicated storage phase. The evolutions from all simulated scenarios were used as the basis for leakage risk quantification using the National Risk Assessment Partnership’s Open-Source Integrated Assessment Model (NRAP-Open-IAM) with a novel reduced-order model to estimate time-dependent leakage of CO2, brine, and hydrocarbon fluids through potentially leaky wells. Results include a description of reservoir response, an estimate of the areal extent that could potentially be impacted by leakage to underground sources of drinking water, and estimates of the magnitude of potential leakage. Considerations for dedicated storage injection well selection, injectivity, and injection scheme performance and potential leakage risk are presented, with implications for risk assessment of well transition discussed. This study presents a risk-based workflow for the Class II to Class VI well transition. Integrating credible numerical simulation of viable CO2-EOR to dedicated CO2 storage with quantitative risk assessment tools, such as the NRAP-Open-IAM, will provide a valuable means to devise operational scenarios and inform decision-making related to storage benefit, leakage risk, and liability. Presented at the SPE/AAPG/SEG Carbon Capture Utilization and Storage Conference in Houston, TX, March 11-13, 2024.

Liu, Guoxiang↗
DOE OSTI2024

Modeling and Validation of a Residential Multi-Functional Variable Refrigerant Flow Heat Pump System with Heat Recovery

To bridge the existing gap in modeling the variable refrigerant flow heat pump systems with heat recovery (VRFHR), we developed a suite of dynamic VRFHR system models in Modelica. These models are specifically tailored for residential multi-functional VRFHR (MF-VRFHR) applications, including space conditioning and domestic hot water (DHW) heating, utilizing both the TIL library for HVAC equipment and the Buildings library for thermal load calculations. The development comprises essential component models, including the newly developed heat recovery unit (HRU), along with system models that integrate the heat pump system and building envelope. These system models accommodate various operational modes such as heating-only, cooling-only, and heating-recovery (including heating-dominant and cooling-dominant) modes. Furthermore, we propose an efficient optimization-based model calibration method that identifies critical model parameters while utilizing a small amount of data obtained from either real systems or manufacturer's specifications. We demonstrate the effectiveness of these models and the proposed calibration method for a MF-VRFHR system installed in Richland, WA. The developed models are calibrated and validated using data collected under different operational modes during both heating and cooling seasons. The results show that the models capture the system dynamics and achieve high accuracy, with the coefficient of the variation of the root-mean-square-error less than 15% for variables such as outdoor unit power consumption, compressor speed, space temperature and DHW temperature. The validated models serve as a reliable representation of the MF-VRFHR system, facilitating the development and validation of optimized controls needed to realize the full benefits of integrated heat pump systems. Future research will utilize these models to develop advanced controls and optimize system performance for improved energy efficiency and demand flexibility.

Modeling, Variable refrigerant flow (VRF) systems,↗
DOE OSTI2023

Electronic structure theory on modeling short-range noncovalent interactions between amino acids

While short-range noncovalent interactions (NCIs) are proving to be of importance in many chemical and biological systems, these atypical bindings happen within the so-called van der Waals envelope and pose an enormous challenge for current computational methods. We introduce SNCIAA, a database of 723 benchmark interaction energies of short-range noncovalent interactions between neutral/charged amino acids originated from protein x-ray crystal structures at the “gold standard” coupled-cluster with singles, doubles, and perturbative triples/complete basis set [CCSD(T)/CBS] level of theory with a mean absolute binding uncertainty less than 0.1 kcal/mol. Subsequently, a systematic assessment of commonly used computational methods, such as the second-order Møller−Plesset theory (MP2), density functional theory (DFT), symmetry-adapted perturbation theory (SAPT), composite electronic-structure methods, semiempirical approaches, and the physical-based potentials with machine learning (IPML) on SNCIAA is carried out. It is shown that the inclusion of dispersion corrections is essential even though these dimers are dominated by electrostatics, such as hydrogen bondings and salt bridges. Overall, MP2, ωB97M-V, and B3LYP+D4 turned out to be the most reliable methods for the description of short-range NCIs even in strongly attractive/repulsive complexes. SAPT is also recommended in describing short-range NCIs only if the δMP2 correction has been included. The good performance of IPML for dimers at close-equilibrium and long-range conditions is not transferable to the short-range. We expect that SNCIAA will assist the development/improvement/validation of computational methods, such as DFT, force-fields, and ML models, in describing NCIs across entire potential energy surfaces (short-, intermediate-, and long-range NCIs) on the same footing.

Chemistry↗
NASA NTRS1996

Application of Optimization Techniques to Design of Unconventional Rocket Nozzle Configurations

Several current rocket engine concepts such as the bell-annular tri-propellant engine, and the linear aerospike being proposed for the X-33 require unconventional three dimensional rocket nozzles which must conform to rectangular or sector shaped envelopes to meet integration constraints. These types of nozzles exist outside the current experience database, therefore, the application of efficient design methods for these propulsion concepts is critical to the success of launch vehicle programs. The objective of this work is to optimize several different nozzle configurations, including two- and three-dimensional geometries. Methodology includes coupling computational fluid dynamic (CFD) analysis to genetic algorithms and Taguchi methods as well as implementation of a streamline tracing technique. Results of applications are shown for several geometeries including: three dimensional thruster nozzles with round or super elliptic throats and rectangualar exits, two- and three-dimensional thrusters installed within a bell nozzle, and three dimensional thrusters with round throats and sector shaped exits. Due to the novel designs considered for this study, there is little experience which can be used to guide the effort and limit the design space. With a nearly infinite parameter space to explore, simple parametric design studies cannot possibly search the entire design space within the time frame required to impact the design cycle. For this reason, robust and efficient optimization methods are required to explore and exploit the design space to achieve high performance engine designs. Five case studies which examine the application of various techniques in the engineering environment are presented in this paper.

Follett, W.↗
NASA NTRSDate not supplied

The Adaptable, Deployable, Entry and Placement Technology (ADEPT) Enabling Advanced Entry, Descent, and Landing Capabilities for SmallSat Missions

The Adaptable, Deployable Entry and Placement Technology (ADEPT) is a mechanically deployable low-ballistic coefficient aeroshell entry system which performs entry, descent, and landing (EDL) functions for a broad range of planetary destinations including Mars, Venus, Titan and Earth. The deployable system allows mission planners to develop an aeroshell design that is stowed like a folded umbrella, and yet prior to the EDL mission segment, transforms into a deployed, near-rigid low ballistic coefficient configuration. The ADEPT architecture is scalable from a sub-1m class to 6m diameter entry vehicles for Venus and and it has been studied at up to 15m – 20m scale for human exploration class missions. There has been growing interest in performing interplanetary missions with small spacecraft as secondary payloads and ADEPT offers small satellite mission designers the ability to consider Aeroassist technologies to expand mission applications. The ADEPT architecture introduces a new approach for entry vehicle design. It deploys a flexible 3D woven carbon fabric as the primary drag surface. It is capable of surviving high aerothermal heating during entry, while maintaining a robust impermeable membrane that provides high drag for vehicle deceleration. The ADEPT project team has advanced this decelerator technology via systems-level testing at the one meter diameter (nano-ADEPT) scale. A subsonic aeroloads test (May 2015) and a pathfinder arc-jet aeroheating test (Sept 2015) and a successful sounding rocket flight (SR-1) launch of a 0.7 meter deployed diameter ADEPT (September 2018). The SR-1 flight experiment demonstrated most of the primary end-to-end mission stages including: launch in a stowed configuration, separation and deployment in zero-g, exo-atmospheric conditions, and passive ballistic re-entry of a 70 degree half-angle cone geometry. The ADEPT SR-1 sounding rocket flight experiment had to address challenges such as stowing within the constrained payload envelope, fabric folding, and packaging concerns.

Paul Wercinski↗
NASA NTRS2014

Comparison of Computational Approaches for Rapid Aerodynamic Assessment of Small UAVs

Computational Fluid Dynamic (CFD) methods were used to determine the basic aerodynamic, performance, and stability and control characteristics of the unmanned air vehicle (UAV), Kahu. Accurate and timely prediction of the aerodynamic characteristics of small UAVs is an essential part of military system acquisition and air-worthiness evaluations. The forces and moments of the UAV were predicted using a variety of analytical methods for a range of configurations and conditions. The methods included Navier Stokes (N-S) flow solvers (USM3D, Kestrel and Cobalt) that take days to set up and hours to converge on a single solution; potential flow methods (PMARC, LSAERO, and XFLR5) that take hours to set up and minutes to compute; empirical methods (Datcom) that involve table lookups and produce a solution quickly; and handbook calculations. A preliminary aerodynamic database can be developed very efficiently by using a combination of computational tools. The database can be generated with low-order and empirical methods in linear regions, then replacing or adjusting the data as predictions from higher order methods are obtained. A comparison of results from all the data sources as well as experimental data obtained from a wind-tunnel test will be shown and the methods will be evaluated on their utility during each portion of the flight envelope.

Shafer, Theresa C.↗
DOE OSTI2025

Evaluating indoor thermal resilience of passive and low-power cooling shelters for outdoor workers in India

India’s 231 million outdoor workers are exposed to deadly heat during heat waves. We report results from a simulation-based study that focuses on passive design of cooling shelters for the hot and dry climate zone of India. The goal is to design a cooler-than-outdoor shelter for outdoor workers’ intermittent rest and recovery from heat stress during their arduous outdoor work, to avoid heat-related morbidities and mortality. Expected indoor thermal conditions in low-cost cooling shelters deploying a range of passive designs and low-power active measures are investigated, consistent with the current Indian standards and practices, located in the city of Jodhpur in western India. Heat resilience of the shelter was measured with the predicted reduction of hazardous hours inside the shelter based on the wet-bulb globe temperature (WBGT) and extended heat index. These measures include improving the building envelope, installing cool roofs, using internal thermal mass, and natural ventilation. Additionally, a low-power active measure of using ventilation fans and ceiling fans is explored. EnergyPlus-based simulation results show that simple, commonly available measures, particularly natural ventilation and ceiling fans, achieve the most significant reductions in overheating danger hours, by 22% and 21%, respectively, while more complex or costly passive strategies yield only marginal additional benefits. Moreover, combined measure packages are identified that can reduce the indoor WBGT by 8 to 10 °C, eliminating overheating danger hours. These findings highlight the critical importance of scalable, low-cost, and easily deployable cooling solutions for developing resilient cooling shelters for vulnerable outdoor workers during heat waves in India.

building performance↗
DOE OSTI2017

A zero-power warming chamber for investigating plant responses to rising temperature

Advances in understanding and model representation of plant and ecosystem responses to rising temperature have typically required temperature manipulation of research plots, particularly when considering warming scenarios that exceed current climate envelopes. In remote or logistically challenging locations, passive warming using solar radiation is often the only viable approach for temperature manipulation. But, current passive warming approaches are only able to elevate the mean daily air temperature by ~1.5 °C. Motivated by our need to understand temperature acclimation in the Arctic, where warming has been markedly greater than the global average and where future warming is projected to be ~2–3 °C by the middle of the century; we have developed an alternative approach to passive warming. Our zero-power warming (ZPW) chamber requires no electrical power for fully autonomous operation. It uses a novel system of internal and external heat exchangers that allow differential actuation of pistons in coupled cylinders to control chamber venting. This enables the ZPW chamber venting to respond to the difference between the external and internal air temperatures, thereby increasing the potential for warming and eliminating the risk of overheating. During the thaw season on the coastal tundra of northern Alaska our ZPW chamber was able to elevate the mean daily air temperature 2.6 °C above ambient, double the warming achieved by an adjacent passively warmed control chamber that lacked our hydraulic system. We describe the construction, evaluation and performance of our ZPW chamber and discuss the impact of potential artefacts associated with the design and its operation on the Arctic tundra. Our approach is highly flexible and tunable, enabling customization for use in many different environments where significantly greater temperature manipulation than that possible with existing passive warming approaches is desired.

54 ENVIRONMENTAL SCIENCES↗