Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “field validation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Intercomparison of Various Algorithms in Determining Convective and Stratiform Precipitation

The paper presents the intercomparison of various algorithms in determining the convective and stratiform precipitation in tropical convection. The latent heat released from precipitation is the driving mechanism for the general circulation of the atmosphere and exhibits different vertical profile in convective and stratiform regimes of the tropical convection. The primary goal of this paper is to evaluate the performance of the operational convective/stratiform algorithm that is employed by the NASA Tropical Rainfall Measuring Mission (TRMM) ground validation program. The operational algorithm is based on the texture of radar reflectivity field at constant altitude. The TRMM ground validation program continuously monitors the tropical convection through ground based radar and rain gauge network at selected sites around the tropics and generates the rainfall products including the convective/stratiform rainfall map that can readily be used by the TRMM satellite program. An evaluation and improvement of these rainfall products requires additional measurements that can be available through field campaigns. The data used in this study was collected during the second phase of the Texas Florida Underflights (TEFLUN-B) field campaign in East Central Florida, a primary site of the TRMM ground validation program. The TEFLUN-B field campaign was conducted in August and September 1998 in support of the NASA Tropical Rainfall Measuring Mission (TRMM) satellite observations. An objective of the TEFLUN-B field campaign was to obtain the ground based precipitation measurements of Florida convection at different temporal and spatial scales. The field campaign had various components of precipitation measurements including dual wavelength precipitation profiler, various types of disdrometers and rain gauges, collocated about 40 km southwest of Melbourne NEXRAD radar. In this study, we examine the profiler based reflectivity and Doppler velocity and the disdrometer based drop size distribution observations to evaluate the operational scanning radar (i.e. NEXRAD) based convective/stratiform algorithm.

Tokay, Ali↗
DOE OSTI2022

Molecular simulations and NMR reveal how lipid fluctuations affect membrane mechanics

Lipid bilayers form the main matrix of functional cell membranes, and their dynamics underlie a host of physical and biological processes. Here we show that elastic membrane properties and collective molecular dynamics (MD) are related by the mean-square amplitudes (order parameters) and relaxation rates (correlation times) of lipid acyl chain motions. We performed all-atom MD simulations of liquid-crystalline bilayers that allow direct comparison with carbon-hydrogen (CH) bond relaxations measured with NMR spectroscopy. Previous computational and theoretical approaches have assumed isotropic relaxation, which yields inaccurate description of lipid chain dynamics and incorrect data interpretation. Instead, the new framework includes a fixed bilayer normal (director axis) and restricted anisotropic motion of the CH bonds in accord with their segmental order parameters, enabling robust validation of lipid force fields. Simulated spectral densities of thermally excited CH bond fluctuations exhibited well-defined spin-lattice (Zeeman) relaxations analogous to those in NMR measurements. Their frequency signature could be fit to a simple power-law function, indicative of nematic-like collective dynamics. Moreover, calculated relaxation rates scaled as the squared order parameters yielding an apparent K C modulus for bilayer bending. Our results show a strong correlation with K C values obtained from solid-state NMR studies of bilayers without and with cholesterol as validated by neutron spin-echo measurements of membrane elasticity. The simulations uncover a critical role of interleaflet coupling in membrane mechanics and thus provide important insights into molecular sites of emerging elastic properties within lipid bilayers.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Field Evaluation of the Caney Shale as an Emerging Unconventional Play, Southern Oklahoma

The Mississippian-age Caney Shale is an emerging unconventional oil and gas (UOG) resource play in the southern Midcontinent and is prospective in the Anadarko, Ardmore, Marietta and western Arkoma basins. This play is enigmatic in that time equivalent Fayetteville Shale in the eastern Arkoma basin and Barnett Shale in the Ft. Worth Basin are major unconventional plays, whereas Caney Shale production is sparse and unpredictable (Cardott, 2017). In the Anadarko, Ardmore and Marietta basins, the Caney Shale is in the oil window, but its resource potential has not been adequately assessed. The Caney reservoir is about 60-300 m thick, is rich in total organic carbon, contains a large oil resource base, and has a strong natural gas drive; however, development has been hampered by high clay content and reactivity of the formation with water. The main objective of this initial four-year research project was to address these issues by establishing a Caney Shale Field Laboratory in the Ardmore Basin of southern Oklahoma to (a) conduct a comprehensive field characterization (b) perform field experiments, and (c) validate cost-effective technologies that will lead to a comprehensive and efficient development strategy plan for Caney Shale.

02 PETROLEUM↗
DOE OSTI2024

Higher-derivative relations between scalars and gluons

We extend the covariant color-kinematics duality introduced by Cheung and Mangan to effective field theories. We focus in particular on relations between the effective field theories of gluons only and of gluons coupled to bi-adjoint scalars. Maps are established between their respective equations of motion and between their tree-level scattering amplitudes. An additional rule for the replacement of flavor structures by kinematic factors realizes the map between higher-derivative amplitudes. As an example of new relations, the pure-gluon amplitudes of mass dimension up to eight, featuring insertions of the F 3 and F 4 operators which satisfy the traditional color-kinematics duality, can be generated at all multiplicities from just renormalizable amplitudes of gluons and bi-adjoint scalars. We also obtain closed-form expressions for the kinematic numerators of the dimension-six gluon effective field theory, which are valid in D space-time dimensions. Finally, we find strong evidence that this extended covariant color-kinematics duality relates the (DF) 2 +YM(+Φ 3 ) theories which, at low energies, generate infinite towers of operators satisfying the traditional color-kinematics duality, beyond aforementioned F 3 and F 4 ones.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

First Ever Polymer Flood Field Pilot to Enhance the Recovery of Heavy Oils on Alaska North Slope – Producer Responses and Operational Lessons Learned

The US Department of Energy and Hilcorp Alaska, LLC are jointly cosponsoring a field pilot project entitled “First Ever Field Pilot on Alaska’s North Slope to Validate the Use of Polymer Floods for Heavy Oil Enhanced Oil Recovery (EOR).” The objective of this pilot is to perform a field experiment to validate the use of an advanced polymer flooding technology to unlock the vast heavy oil resources on Alaska North Slope (ANS). Two pairs of horizontal injection and production wells have been deployed in an isolated fault block of the Schrader Bluff heavy oil reservoir at the Milne Point Field to conduct a polymer flood pilot which was designed to acquire field performance data to optimize polymer flood design in the Schrader Bluff heavy oil reservoirs on ANS. Hydrolyzed polyacrylamide (HPAM) polymer injection started on August 28, 2018 using a custom made polymer mixing and pumping unit. Polymer solution properties such as concentration, viscosity, and filter ratio, have been closely monitored and adjusted as necessary. Operational procedures have been improved to ensure adequate injectivity and polymer propagation through the formation. Oil and water production is tested frequently to monitor water cut performance, and produced water is sampled and analyzed for polymer content. Tracers were pumped pre and post polymer injection startup to compare polymer flood breakthrough timing and sweep efficiency. Polymer injectivity of the horizontal wells drilled in the Schrader Bluff NB sand is found to be sufficient to replace the reservoir production voidage although there were some declines as high viscosity polymer swept the near wellbore region. Production data show significant reduction in water cut and the oil production rate has stabilized. No polymer production has been confirmed from the two horizontal producers after 22 months of polymer injection into the two supporting horizontal injectors. Tracer data show very low sweep efficiencies with waterflood alone, whereas significant improvement has been achieved with polymer flood. Many operational lessons have been learned and improvements have been made regarding polymer mixing, pumping, and onsite quality control, particularly in a challenging Arctic environment. Adequate polymer injection rate can be achieved with diligent monitoring and quality assurance of the properties of the injected polymer solution.

Ning, Samson↗
DOE OSTI2023

Sensitivity of Optical Satellites to Estimate Windthrow Tree-Mortality in a Central Amazon Forest

Windthrow (i.e., trees broken and uprooted by wind) is a major natural disturbance in Amazon forests. Images from medium-resolution optical satellites combined with extensive field data have allowed researchers to assess patterns of windthrow tree-mortality and to monitor forest recovery over decades of succession in different regions. Although satellites with high spatial-resolution have become available in the last decade, they have not yet been employed for the quantification of windthrow tree-mortality. Here, we address how increasing the spatial resolution of satellites affects plot-to-landscape estimates of windthrow tree-mortality. We combined forest inventory data with Landsat 8 (30 m pixel), Sentinel 2 (10 m), and WorldView 2 (2 m) imagery over an old-growth forest in the Central Amazon that was disturbed by a single windthrow event in November 2015. Remote sensing estimates of windthrow tree-mortality were produced from Spectral Mixture Analysis and evaluated with forest inventory data (i.e., ground true) by using Generalized Linear Models. Field measured windthrow tree-mortality (3 transects and 30 subplots) crossing the entire disturbance gradient was 26.9 ± 11.1% (mean ± 95% CI). Although the three satellites produced reliable and statistically similar estimates (from 26.5% to 30.3%, p < 0.001), Landsat 8 had the most accurate results and efficiently captured field-observed variations in windthrow tree-mortality across the entire gradient of disturbance (Sentinel 2 and WorldView 2 produced the second and third best results, respectively). As expected, mean-associated uncertainties decreased systematically with increasing spatial resolution (i.e., from Landsat 8 to Sentinel 2 and WorldView 2). However, the overall quality of model fits showed the opposite pattern. We suggest that this reflects the influence of a relatively minor disturbance, such as defoliation and crown damage, and the fast growth of natural regeneration, which were not measured in the field nor can be captured by coarser resolution imagery. Our results validate the reliability of Landsat imagery for assessing plot-to-landscape patterns of windthrow tree-mortality in dense and heterogeneous tropical forests. Satellites with high spatial resolution can improve estimates of windthrow severity by allowing the quantification of crown damage and mortality of lower canopy and understory trees. However, this requires the validation of remote sensing metrics using field data at compatible scales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Microphysics of liquid water in sub-10 nm ultrafine aerosol particles

Abstract. Ultrafine aerosol particles with sizes smaller than 50 nm have been shown in recent studies to serve as a large source of cloud condensation nuclei that can promote additional cloud droplet formation under supersaturation conditions. Knowledge of the microphysics of liquid water in these droplets remains limited, particularly in the sub-10 nm particle size range, due to experimental and theoretical challenges associated with the complexity of aerosol components and the small length scales of interest (e.g., difficulty of precisely sampling the liquid–air interface, questionable validity of mean-field theoretical representations). Here, we carried out molecular dynamics (MD) simulations of aerosol particles with diameters between 1 and 10 nm and characterized atomistic-level structure and water dynamics in well-mixed and phase-separated systems with different particle sizes, NaCl salinities, and pimelic acid (PML) organic surface loadings as a function of distance from the time-averaged Gibbs dividing interface or instantaneous water–air interface. We define a sphericity factor (ϕ) that can shed light on the phase-mixing state of nanodroplets, and we reveal an unexpected dependence of mixing state on droplet size. Our results also evidence an ion concentration enhancement in ultrafine aerosols, which should modulate salt nucleation kinetics in sub-10 nm droplets, and provide detailed characterization of the influence of droplet size on surface tension and on water self-diffusivity near the interface. Analysis of water evaporation free energy and water activity demonstrates the validity of the Kelvin equation and Köhler theory at droplet sizes larger than 4 nm under moderate salinities and organic loadings and the need for further extension to account for ion concentration enhancement in sub-10 nm aerosols, droplet-size-dependent phase separation effects, and a sharp decrease in the cohesiveness of liquid water in sub-4 nm droplets. Finally, we show that an idealized fractional surface coating factor (fs) can be used to categorize and reconcile water accommodation coefficients (α*) observed in MD simulations and experimental results in the presence of organic coatings, and we resolve the droplet size dependence of α*.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2000

Salient Characteristics for Terrestrial Analog Engineering Test Sites

The use of terrestrial analog sites is an essential component of the development process for systems that are planned for lunar and planetary surfaces. These sites can also be valuable for training personnel who are expected to operate those systems. The fact that the site is an integral element, capable of influencing data and impacting test results, must not be overlooked. For tests performed in analog environments to be truly valid it is essential that the relevant characteristics of the employed sites be thoroughly understood. It is also critical that a comparative evaluation be made to assess the similarity of the analog sites to target planetary sites. Examples of relevant characteristics include terrain, soil properties, meteorology, geologic features, biological history, and remoteness. The importance of each of the characteristics varies with the type of extraterrestrial activity to be conducted. As a result, a site that is ideal for one purpose may be totally inadequate for another. It may also be appropriate to utilize multiple sites of increasing fidelity as the development process evolves. For example, early in the development process, the use of lower-fidelity sites may be elected - especially if they are available for a lower cost. Later, it may be necessary to employ higher-fidelity sites to capture greater realism, even if there is an associated increased cost. Finally, when interpreting the results of field tests, it is necessary to understand the sensitivity of the results to the relevant conditions. Knowledge of characteristics and sensitivity of results is particularly important when using field test results to validate analytical model predictions. This is especially true for activities that involve physical interaction with the site. Examples would include tests of rovers or other vehicles and associated trafficability modeling, spacesuit mobility tests, and tests associated with system deployment operations.

Watson, J.K.↗
NASA NTRS2008

Generic Helicopter-Based Testbed for Surface Terrain Imaging Sensors

To be certain that a candidate sensor system will perform as expected during missions, we have developed a field test system and have executed test flights with a helicopter-mounted sensor platform over desert terrains, which simulate Lunar features. A key advantage to this approach is that different sensors can be tested and characterized in an environment relevant to the flight needs prior to flight. Testing the various sensors required the development of a field test system, including an instrument to validate the truth of the sensor system under test. The field test system was designed to be flexible enough to cover the test needs of many sensors (lidar, radar, cameras) that require an aerial test platform, including helicopters, airplanes, unmanned aerial vehicles (UAV), or balloons. To validate the performance of the sensor under test, the dynamics of the test platform must be known with sufficient accuracy to provide accurate models for input into algorithm development. The test system provides support equipment to measure the dynamics of the field test sensor platform, and allow computation of the truth position, velocity, attitude, and time.

Alexander, James↗
DOE OSTI2020

Superuniversality from disorder at two-dimensional topological phase transitions

We investigate the effects of quenched randomness on topological quantum phase transitions in strongly interacting two-dimensional systems. We focus first on transitions driven by the condensation of a subset of fractionalized quasiparticles (“anyons”) identified with “electric charge” excitations of a phase with intrinsic topological order. All other anyons have nontrivial mutual statistics with the condensed subset and hence become confined at the anyon condensation transition. Furthermore, using a combination of microscopically exact duality transformations and asymptotically exact real-space renormalization group techniques applied to these two-dimensional disordered gauge theories, we argue that the resulting critical scaling behavior is “superuniversal” across a wide range of such condensation transitions and is controlled by the same infinite-randomness fixed point as that of the 2D random transverse-field Ising model. We validate this claim using large-scale quantum Monte Carlo simulations that allow us to extract zero-temperature critical exponents and correlation functions in (2+1)D disordered interacting systems. We discuss generalizations of these results to a large class of ground-state and excited-state topological transitions in systems with intrinsic topological order as well as those where topological order is either protected or enriched by global symmetries. When the underlying topological order and the symmetry group are Abelian, our results provide prototypes for topological phase transitions between distinct many-body localized phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

Antenna pattern control using impedance surfaces

A hybrid numerical technique is developed for electrically large pyramidal horn antennas radiating in free space. A stepped-waveguide method is used to analyze the interior surfaces of the horn transition. The Electric Field Integral Equation (EFIE) is employed on the outer surfaces of the pyramidal horn including the radiating aperture. Meanwhile, the Magnetic Field Integral Equation (MFIE) is used on the aperture to relate the aperture fields and those in the horn transition. The resultant hybrid field integral equation (HFIE) is solved numerically by the method of moments. This formulation is both accurate and numerically stable so that high-gain microwave pyramidal horns can be analyzed rigorously. Far-field radiation patterns, both computed and measured, are presented for three electrically-large x-band horn antennas. The comparisons demonstrate that this method is accurate enough to predict the fine pattern structure at wide angles and in the back region. Computed far-field patterns and aperture field distribution of two smaller x-band horns are also presented along with a discussion on the validity of the approximate aperture field distributions routinely used in the analysis and design of pyramidal horns.

Balanis, Constantine A.↗
NASA NTRSDate not supplied

CFD Modeling & Validation of Single Bubble Growth During Cavitation in Zero Gravity

Cryogenic Fluid Management (CFM) in zero gravity represents a vital area of research as NASA pursues future long-duration space missions. Success of these missions relies heavily on the ability to store and transfer the cryogenic liquid fuels efficiently and safely. In the Zero Boil-Off Tank (ZBOT-1) Experiment in 2018, unexpected and intense phase change occurred at the screened Liquid Acquisition Device (LAD) during tank pressure control that was later attributed to cavitation. The cavitation ultimately resulted in pump failure. Since cryogen cavitation during storage and transfer of propellants in microgravity has been a source of serious concern for the aerospace community, a series of drop tower experiments with liquid methane were also performed at the University of Bremen to carefully study cavitation from a single bubble nucleus in an engineered micron-sized wall cavity. As the test cell is depressurized during the 10-second drop, cavitation causes bubble growth from the nucleus. Here, in a collaboration between the Case Western Reserve University and University of Bremen, we present a two-phase Computational Fluid Dynamics (CFD) model of bubble growth from a single wall cavity during depressurization in microgravity. Both 2D axisymmetric and 3D parametric simulation case studies are performed to show the evolution of the bubble growth. The model uses a Volume of Fluid (VOF) approach with and without adaptive mesh refinement and adaptive time stepping to capture the growth dynamics using an explicit formulation with algebraic reconstruction of the interface. CFD results show good agreement with corresponding experiment. Based on the velocity, temperature, and volume fraction fields generated by the validation case studies, detailed discussion and analysis of fluid flow and heat transfer during bubble growth process are presented to delineate the intricacies of the cavitation process. Strengths and shortcomings of the present numerical approach in capturing this phenomenon are also highlighted.

Two Phase Flow↗
NASA NTRS2005

Mapping Weathering and Alteration Minerals in the Comstock and Geiger Grade Areas using Visible to Thermal Infrared Airborne Remote Sensing Data

To support research into both precious metal exploration and environmental site characterization a combination of high spatial/spectral resolution airborne visible, near infrared, short wave infrared (VNIR/SWIR) and thermal infrared (TIR) image data were acquired to remotely map hydrothermal alteration minerals around the Geiger Grade and Comstock alteration regions, and map the mineral by-products of weathered mine dumps in Virginia City. Remote sensing data from the Airborne Visible Infrared Imaging Spectrometer (AVIRIS), SpecTIR Corporation's airborne hyperspectral imager (HyperSpecTIR), the MODIS-ASTER airborne simulator (MASTER), and the Spatially Enhanced Broadband Array Spectrograph System (SEBASS) were acquired and processed into mineral maps based on the unique spectral signatures of image pixels. VNIR/SWIR and TIR field spectrometer data were collected for both calibration and validation of the remote data sets, and field sampling, laboratory spectral analyses and XRD analyses were made to corroborate the surface mineralogy identified by spectroscopy. The resulting mineral maps show the spatial distribution of several important alteration minerals around each study area including alunite, quartz, pyrophyllite, kaolinite, montmorillonite/muscovite, and chlorite. In the Comstock region the mineral maps show acid-sulfate alteration, widespread propylitic alteration and extensive faulting that offsets the acid-sulfate areas, in contrast to the larger, dominantly acid-sulfate alteration exposed along Geiger Grade. Also, different mineral zones within the intense acid-sulfate areas were mapped. In the Virginia City historic mining district the important weathering minerals mapped include hematite, goethite, jarosite and hydrous sulfate minerals (hexahydrite, alunogen and gypsum) located on mine dumps. Sulfate minerals indicate acidic water forming in the mine dump environment. While there is not an immediate threat to the community, there are clearly sources of acidic drainage that were identified remotely.

imaging spectroscopy↗
NASA NTRS1990

Coupled BE/FE/BE approach for scattering from fluid-filled structures

NASHUA is a coupled finite element/boundary element capability built around NASTRAN for calculating the low frequency far-field acoustic pressure field radiated or scattered by an arbitrary, submerged, three-dimensional, elastic structure subjected to either internal time-harmonic mechanical loads or external time-harmonic incident loadings. Described here are the formulation and use of NASHUA for solving such structural acoustics problems when the structure is fluid-filled. NASTRAN is used to generate the structural finite element model and to perform most of the required matrix operations. Both fluid domains are modeled using the boundary element capability in NASHUA, whose matrix formulation (and the associated NASTRAN DMAP) for evacuated structures can be used with suitable interpretation of the matrix definitions. After computing surface pressures and normal velocities, far-field pressures are evaluated using an asymptotic form of the Helmholtz exterior integral equation. The proposed numerical approach is validated by comparing the acoustic field scattered from a submerged fluid-filled spherical thin shell to that obtained with a series solution, which is also derived here.

Everstine, Gordon C.↗
DOE OSTI2024

Emulation and detection of physical faults and cyber-attacks on building energy systems through real-time hardware-in-the-loop experiments

The increasing use of remote or mobile access, integrated wearable technologies, data exchange, and cloud-based data analytics in modern smart buildings is steering the building industry towards open communication technologies. The increased connectivity and accessibility could lead to more cyber-attacks in smart buildings. On the other hand, physical faults (e.g., HVAC -heating, ventilation, and air-conditioning faults) may have similar adverse impacts as those from the cyber-attacks on building energy systems, such as occupant discomfort, energy wastage, and equipment downtime. However, current physical behavior-based anomaly detection methods fail to differentiate between cyber-attacks and physical faults in building energy systems. Moreover, the challenge in collecting real-world threat data with ground truth has led researchers to rely on numerical models with user-defined assumptions, which may not accurately reflect real-world conditions due to the lack of in-situ experimental datasets. To address these challenges and gaps, this paper presents a flexible hardware-in-the-loop (HIL) testbed for generating cyber-attack and physical fault datasets and demonstrating threat detection algorithms in a real building automation system (BAS) environment. This testbed combines hardware (i.e., real BAS with local HVAC controllers and a physical network) with software (i.e., high-fidelity models to represent behaviors of building envelope and HVAC energy systems), enabling emulations of realistic threats. Five HIL experiments, including one baseline without any threats, two with physical faults, and two with cyber-attacks, were conducted to generate datasets containing detailed network traffic and system states. A joint classification framework, incorporating a network analyzer and a physical HVAC fault detector, was proposed to automatically detect cyber-physical abnormalities on BAS at both the network and the physical HVAC levels. The network analyzer comprises a conditional random fields (CRF) based command validator and a statistics-based detection strategy. The fault detector employs a weather and schedule-based pattern matching and feature-based principal component analysis (WPM-FPCA) method. Evaluation of the classification using four metrics from the multi-class confusion matrix revealed an average accuracy of 90.2%, recall of 89.7%, precision of 88.5% and F1-score of 89.2%. Finally, these results demonstrate that the proposed joint classification framework can effectively differentiate between specific types of cyber-attacks (e.g., device reinitialization attack, network Denial-of-Service attack) and physical faults (e.g., air handling unit operational fault, cooling coil valve stuck) in real time for improved building energy management.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Combined effects of horizontal and vertical resolution on reliable turbulence prediction at tidal energy sites: A systematic study in the Salish Sea, WA

Predicting turbulence characteristics with coastal ocean models is essential for tidal energy converter deployment. While large eddy simulation provides a detailed turbulence representation, computational limitations restrict its use to smaller domains. We systematically evaluate whether well-configured coastal models can provide reliable turbulence prediction through progressive refinement of 3D model representation. We implemented four model configurations (Levels 1–4) using terrain-following coordinates, isolating the impacts of horizontal resolution, vertical resolution, and layer distribution. We validated all configurations against field measurements from the Salish Sea, WA. Results show that tidal current velocity predictions remain unchanged regarding model configuration, but turbulence properties are sensitive to resolution refinement. Increasing vertical resolution alone proved insufficient; even with vertical sigma-levels rising from 11 to 41, significant underprediction persisted until finer horizontal resolution better captured bathymetric variations. The Level 4 configuration, incorporating geometric sigma-levels distribution, achieved turbulence prediction skill scores exceeding 0.90. Turbulence closure comparison revealed Mellor- Yamada 2.5 outperformed k-epsilon in TKE prediction (skill scores 0.84–0.94 versus 0.72–0.81) due to better boundary layer parameterization. This study shows that well-configured coastal models effectively bridge the gap between simplified tools and costly high-fidelity modeling, offering the tidal energy industry practical and cost-effective turbulence data at commercially relevant scales.

Marine Energy↗
DOE OSTI2025

Liquid Sorption-Enhanced Haber–Bosch Process

The use of a liquid sorbent in a traditional Haber-Bosch process enables significant improvements in energy efficiency and potential cost savings for arguably the most important chemical process on the planet. The approach presented in this report employs an incompressible liquid sorbent that absorbs and releases ammonia (NH 3 ) under specific conditions. To achieve this, we investigate reactions of ammonia and pure phosphoric acid (H 3 PO 4 , PA), which rapidly neutralize to form an equilibrated solution of monoammonium phosphate (MAP) and diammonium phosphate (DAP) that functions as a reversible and regenerable sorbent. Through intimate contact of the gas-phase Haber-Bosch reaction mixture with this liquid absorbent, complete equilibrium uptake may be achieved in an appropriately sized separator, and facile separation occurs through the use of independent liquid and gas phases. Following depressurization and release of the ammonia product, only the incompressible fluid needs to be repressurized and returned to the reactor. This study documents proof-of-concept absorption and desorption experiments carried out in 75 mL batch reactors, predominantly charged with precise MAP and DAP mixtures that equilibrate at process-relevant temperatures and pressures. We then assemble the first thermodynamic relationships that underlie this advantaged separation strategy, validated by reactive force field (ReaxFF) interatomic potential simulations, and benchmarked with traditional separation routes via process modeling and technoeconomic analysis. The scale of energy consumption in the century-old Haber-Bosch process is massive, and the elegant liquid sorption approach reported here offers opportunities to enhance its energy efficiency for the next frontier of ammonia synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Backbone Stitching in Bottlebrush Copolymer Mesodomains and the Impact of Side Chain Crystallization

We synthesized bottlebrush statistical copolymers (BSCPs) having poly­(ethylene oxide) (PEO) and poly­(dimethylsiloxane) (PDMS) side chains attached to a polynorbornene backbone. Small-angle X-ray scattering analysis showed that for densely grafted BSCPs, the scattering length density gradually transitions between the PEO and PDMS domains. For loosely grafted BSCPs, the polymer backbone formed a distinct mesodomain, with a lower electron and mass density than both the PEO and PDMS domains. The bottlebrush backbone essentially “stitches” the PEO and PDMS side chains, looping back and forth from the PEO to PDMS domains with the backbone segments oriented normal to the domain interfaces. Self-consistent field theory (SCFT) calculations validated the stitching of the backbone driven by the microphase separation of PEO and PDMS, along with a strong segmental order of the side chains in the melt. The reduced birefringence upon PEO crystallization suggests the disruption of the strong segmental order by the crystallization. Both the static intrinsic and the form birefringences of the BSCPs decreased upon PEO crystallization. Solid-state NMR confirmed the rigidity of PEO crystallites and the bottlebrush backbone. Self-assembly of BSCPs containing polyhedral oligomeric silsesquioxane (POSS) pendent groups was also evaluated by X-ray scattering, showing the formation of lamellar microdomains that inhibited POSS crystallization.

Hu, Mingqiu↗