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DOE OSTI2024

Emergent biaxiality in chiral hybrid liquid crystals

Biaxial nematic liquid crystals are fascinating systems sometimes referred to as the Higgs boson of soft matter because of experimental observation challenges. Here we describe unexpected states of matter that feature biaxial orientational order of colloidal supercritical fluids and gases formed by sparse rodlike particles. Colloidal rods with perpendicular surface boundary conditions exhibit a strong biaxial symmetry breaking when doped into conventional chiral nematic fluids. Minimization of free energy prompts these particles to orient perpendicular to the local molecular director and the helical axis, thereby imparting biaxiality on the hybrid molecular-colloidal system. The ensuing phase diagram features colloidal gas and liquid and supercritical colloidal fluid states with long-range biaxial orientational symmetry, as supported by analytical and numerical modeling at all hierarchical levels of ordering. Unlike for nonchiral hybrid systems, dispersions in chiral nematic hosts display biaxial orientational order at vanishing colloid volume fractions, promising both technological and fundamental research utility.

Colloids↗

DOE OSTI2025

Reconstruction framework advancements to support streaming for the ePIC detector at the EIC

The ePIC collaboration adopted the JANA2 framework to manage its reconstruction algorithms. This framework has since evolved substantially in response to ePIC’s needs. There have been three main design drivers: integrating cleanly with the Podio-based data models and other layers of the key4hep stack, enabling external configuration of existing components, and supporting timeframe splitting for streaming readout. The result is a unified component model featuring a new declarative interface for specifying inputs, outputs, parameters, services, and resources. This interface enables the user to instantiate, configure, and wire components via an external file. One critical new addition to the component model is a hierarchical decomposition of data boundaries into levels such as Run, Timeframe, PhysicsEvent, and Subevent. Two new component abstractions, Folder and Unfolder, are introduced in order to traverse this hierarchy, e.g. by splitting or merging. The pre-existing components can now operate at different event levels, and JANA2 will automatically construct the corresponding parallel processing topology. This means that a user may write an algorithm once, and configure it at runtime to operate on timeframes or on physics events. Overall, these changes mean that the user requires less knowledge about the framework internals, obtains greater flexibility with configuration, and gains the ability to reuse the existing abstractions in new streaming contexts.

Brei, Nathan [Thomas Jefferson National Accelerato↗

DOE OSTI2024

Random forest prediction of crystal structure from electron diffraction patterns incorporating multiple scattering

Diffraction is the most common method to solve for unknown or partially known crystal structures. However, it remains a challenge to determine the crystal structure of a new material that may have nanoscale size or heterogeneities. Here, in this study, we train an architecture of hierarchical random forest models capable of predicting the crystal system, space group, and lattice parameters from one or more unknown two-dimensional electron diffraction patterns. Our initial model correctly identifies the crystal system of a simulated electron diffraction pattern from a 20-nm-thick specimen of arbitrary orientation 67% of the time. We achieve a topline accuracy of 79% when aggregating predictions from ten patterns of the same material but different zone axes. The space group and lattice predictions range from 70% to 90% accuracy and median errors of 0.01-0.5Å, respectively, for cubic, hexagonal, trigonal, and tetragonal crystal systems while being less reliable on orthorhombic and monoclinic systems. We apply this architecture to a four-dimensional scanning transmission electron microscopy scan of gold nanoparticles, where it accurately predicts the crystal structure and lattice constants. These random forest models can be used to significantly accelerate the analysis of electron diffraction patterns, particularly in the case of unknown crystal structures. Additionally, due to the speed of inference, these models could be integrated into live transmission electron microscopy experiments, allowing real-Time labeling of a specimen.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Body size and early marine conditions drive changes in Chinook salmon productivity across northern latitude ecosystems

Disentangling the influences of climate change from other stressors affecting the population dynamics of aquatic species is particularly pressing for northern latitude ecosystems, where climate‐driven warming is occurring faster than the global average. Chinook salmon (Oncorhynchus tshawytscha) in the Yukon‐Kuskokwim (YK) region occupy the northern extent of their species' range and are experiencing prolonged declines in abundance resulting in fisheries closures and impacts to the well‐being of Indigenous people and local communities. These declines have been associated with physical (e.g., temperature, streamflow) and biological (e.g., body size, competition) conditions, but uncertainty remains about the relative influence of these drivers on productivity across populations and how salmon–environment relationships vary across watersheds. To fill these knowledge gaps, we estimated the effects of marine and freshwater environmental indicators, body size, and indices of competition, on the productivity (adult returns‐per‐spawner) of 26 Chinook salmon populations in the YK region using a Bayesian hierarchical stock‐recruitment model. Across most populations, productivity declined with smaller spawner body size and sea surface temperatures that were colder in the winter and warmer in the summer during the first year at sea. Decreased productivity was also associated with above average fall maximum daily streamflow, increased sea ice cover prior to juvenile outmigration, and abundance of marine competitors, but the strength of these effects varied among populations. Maximum daily stream temperature during spawning migration had a nonlinear relationship with productivity, with reduced productivity in years when temperatures exceeded thresholds in main stem rivers. These results demonstrate for the first time that well‐documented declines in body size of YK Chinook salmon were associated with declining population productivity, while taking climate into account.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Role of reinforcement learning for risk-based robust control of cyber-physical energy systems

Critical infrastructures such as cyber-physical energy systems (CPS-E) integrate information flow and physical operations that are vulnerable to natural and targeted failures. Safe, secure, and reliable operation and control of CPS-E is critical to ensure societal well-being and economic prosperity. Automated control is key for real-time operations and may be mathematically cast as a sequential decision-making problem under uncertainty. Emergence of data-driven techniques for decision making under uncertainty, such as reinforcement learning (RL), have led to promising advances for addressing sequential decision-making problems for risk-based robust CPS-E control. However, existing research challenges include understanding the applicability of RL methods across diverse CPS-E applications, addressing the effect of risk preferences across multiple RL methods, and development of open-source domain-aware simulation environments for RL experimentation within a CPS-E context. This article systematically analyzes the applicability of four types of RL methods (model-free, model-based, hybrid model-free and model-based, and hierarchical) for risk-based robust CPS-E control. Problem features and solution stability for the RL methods are also discussed. We demonstrate and compare the performance of multiple RL methods under different risk specifications (risk-averse, risk-neutral, and risk-seeking) through the development and application of an open-source simulation environment. Motivating numerical simulation examples include representative single-zone and multizone building control use cases. Finally, six key insights for future research and broader adoption of RL methods are identified, with specific emphasis on problem features, algorithmic explainability, and solution stability.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

INTERDUNE DEPOSITS AND STRATIGRAPHIC FRAMEWORK OF THE NAVAJO SANDSTONE IN THE LAKE POWELL AREA, UTAH, USA

The Western Interior of the USA was dominated by desert environments for much of the Jurassic. Of these desert environments, the most extensive by far was the Navajo Sandstone erg, which, in conjunction with its correlative Nugget and Aztec Sandstones, is thought to have covered well over 500,000 km2, and is one of the largest ergs preserved in the rock record. The Navajo Sandstone is also one of a few geologic units which show promise as a potential CO2 sequestration reservoir in Utah. It outcrops along the eastern and southern margin of the state, and subcrops throughout most of the central area. The Navajo Sandstone consists of stacked eolian deposits, composed of well sorted, clean sandstone, deposited in commonly tabular, high angle cross bedded paleodunes, which are on average 15 m thick. Interspersed between these paleodunes are interdune deposits. Interdune deposits consist of sandy to calcareous, predominantly planar bedded, lensoid units, ranging from <1 m up to 7 m thick. In some cases, these interdune deposits occur along more extensive stratigraphic bounding surfaces. Dating within the Navajo Sandstone has historically been very difficult, as a result of its predominantly clean, aeolian sandstone composition. In addition, complexity of internal stratigraphic surfaces coupled with a low structural dip and generally flat topography has resulted in a poor understanding of the internal stratigraphy of the Navajo Sandstone. Exceptional three-dimensional exposures of the Navajo Sandstone in the upper portions of Lake Powell permit us to relate interdune carbonates to a hierarchical bounding surfaces model. Here we use this combined approach to interpret the internal stratigraphy of the Navajo Sandstone in this region. This work forms part of a larger study of the Navajo Sandstone across Utah and its potential as a CO2 reservoir, by developing a more comprehensive stratigraphic framework, and increasing understanding of stratigraphic complexity within one of the most significant eolian systems in the world.

Mahon, Elizabeth↗

DOE OSTI2025

A Performance Portable, Fully Implicit Landau Collision Operator with Batched Linear Solvers

Modern accelerators use hierarchical parallel programming models that enable massive multithreading within a processing element (PE), with multiple PEs per device driven by traditional processes. Batching is a technique for exposing PE-level parallelism in algorithms that have traditionally run on MPI processes or multiple threads within a single process. Opportunities for batching arise in, for example, kinetic discretizations of magnetized plasmas where collisions are advanced in velocity space at each spatial point independently. This paper builds on previous work on a high-performance, fully nonlinear, Landau collision operator by batching the linear solver, as well as batching the spatial point problems and adding new support for multiple grids for multiscale, multispecies problems. An anisotropic relaxation verification test that agrees well with previously published results and analytical models is presented. The performance results from NVIDIA A100 and AMD MI250X nodes are presented with hardware utilization analysis for each architecture. Finally, the entire implicit Landau operator time advance is implemented in Kokkos for performance portability, running entirely on the device and is available in the PETSc numerical library.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Multiscale Normalizing Flows for Gauge Theories

Scale separation is an important physical principle that has previously enabled algorithmic advances such as multigrid solvers. Previous work on normalizing flows has been able to utilize scale separation in the context of scalar field theories, but the principle has been largely unexploited in the context of gauge theories. This work gives an overview of a new method for generating gauge fields using hierarchical normalizing flow models. This method builds gauge fields from the outside in, allowing different parts of the model to focus on different scales of the problem. Numerical results are presented for $U(1)$ and $SU(3)$ gauge theories in 2, 3, and 4 spacetime dimensions.

Abbott, Ryan↗

DOE OSTI2024

Assessing heterogeneity of patient and health system delay among TB in a population with internal migrants in China

Backgrounds The diagnostic delay of tuberculosis (TB) contributes to further transmission and impedes the implementation of the End TB Strategy. Therefore, we aimed to describe the characteristics of patient delay, health system delay, and total delay among TB patients in Shanghai, identify areas at high risk for delay, and explore the potential factors of long delay at individual and spatial levels. Method The study included TB patients among migrants and residents in Shanghai between January 2010 and December 2018. Patient and health system delays exceeding 14 days and total delays exceeding 28 days were defined as long delays. Time trends of long delays were evaluated by Joinpoint regression. Multivariable logistic regression analysis was employed to analyze influencing factors of long delays. Spatial analysis of delays was conducted using ArcGIS, and the hierarchical Bayesian spatial model was utilized to explore associated spatial factors. Results Overall, 61,050 TB patients were notified during the study period. Median patient, health system, and total delays were 12 days (IQR: 3–26), 9 days (IQR: 4–18), and 27 days (IQR: 15–43), respectively. Migrants, females, older adults, symptomatic visits to TB-designated facilities, and pathogen-positive were associated with longer patient delays, while pathogen-negative, active case findings and symptomatic visits to non-TB-designated facilities were associated with long health system delays (LHD). Spatial analysis revealed Chongming Island was a hotspot for patient delay, while western areas of Shanghai, with a high proportion of internal migrants and industrial parks, were at high risk for LHD. The application of rapid molecular diagnostic methods was associated with reduced health system delays. Conclusion Despite a relatively shorter diagnostic delay of TB than in the other regions in China, there was vital social-demographic and spatial heterogeneity in the occurrence of long delays in Shanghai. While the active case finding and rapid molecular diagnosis reduced the delay, novel targeted interventions are still required to address the challenges of TB diagnosis among both migrants and residents in this urban setting.

Sun, Ruoyao↗

NASA NTRS1981

Decision Aids for Airborne Intercept Operations in Advanced Aircrafts

A tactical decision aid (TDA) for the F-14 aircrew, i.e., the naval flight officer and pilot, in conducting a multitarget attack during the performance of a Combat Air Patrol (CAP) role is presented. The TDA employs hierarchical multiattribute utility models for characterizing mission objectives in operationally measurable terms, rule based AI-models for tactical posture selection, and fast time simulation for maneuver consequence prediction. The TDA makes aspect maneuver recommendations, selects and displays the optimum mission posture, evaluates attackable and potentially attackable subsets, and recommends the 'best' attackable subset along with the required course perturbation.

Madni, A.↗

NASA NTRS1991

X-ray luminosity functions of clusters of galaxies

Clusters of galaxies must have a considerable intrinsic spread in their X-ray luminosities at given mass if they are formed bottom-up by direct gravitational instability. The distributions of luminosities at given mass take on the general form of a flat power law with a sharp upper cutoff, consistent with the recently obtained luminosity functions for Abell clusters of given richness classes. The quantitative features depend on the specific hierarchical cosmogony, with models including mass accretion after first collapse providing the best agreement. The same clustering mechanism, after integrating over mass, yields a steep overall luminosity function consistent with existing measurements.

Cavaliere, A.↗

NASA NTRS1992

Active structural control for damping augmentation and compensation of thermal distortion

A large space-based Focus Mission Interferometer is used as a testbed for the NASA Controls and Structures Interaction Program. Impedance-based adaptive structural control and control of thermal disturbances are demonstrated using an end-to-end simulation of the system's optical performance. Attention is also given to integrated optical/structural modeling and a hierarchical, layered control strategy.

Sirlin, S. W.↗

NASA NTRS2008

Optimal Planning and Problem-Solving

CTAEMS MDP Optimal Planner is a problem-solving software designed to command a single spacecraft/rover, or a team of spacecraft/rovers, to perform the best action possible at all times according to an abstract model of the spacecraft/rover and its environment. It also may be useful in solving logistical problems encountered in commercial applications such as shipping and manufacturing. The planner reasons around uncertainty according to specified probabilities of outcomes using a plan hierarchy to avoid exploring certain kinds of suboptimal actions. Also, planned actions are calculated as the state-action space is expanded, rather than afterward, to reduce by an order of magnitude the processing time and memory used. The software solves planning problems with actions that can execute concurrently, that have uncertain duration and quality, and that have functional dependencies on others that affect quality. These problems are modeled in a hierarchical planning language called C_TAEMS, a derivative of the TAEMS language for specifying domains for the DARPA Coordinators program. In realistic environments, actions often have uncertain outcomes and can have complex relationships with other tasks. The planner approaches problems by considering all possible actions that may be taken from any state reachable from a given, initial state, and from within the constraints of a given task hierarchy that specifies what tasks may be performed by which team member.

Clemet, Bradley↗

NASA NTRSDate not supplied

Comparing Simulation Results from CHARM and RotCFD to the Multirotor Test Bed Experimental Data

Advanced multirotor vertical flight aircraft concepts are emerging faster than rigorous individualized tests can investigate their utility and performance. There are several analysis tools that predict multirotor performance and flow characteristics, but the accuracy of these predictions is still being debated due to lack of experimental data from multirotor tests that are needed to validate the analyses. The objective of this paper is to simulate multirotor configurations using two different mid-fidelity rotorcraft analysis tools, Comprehensive Hierarchical Aeromechanics Rotorcraft Model (CHARM) and Rotorcraft Computational Fluid Dynamics (RotCFD), and compare the simulation results to experimental data from a wind tunnel test of the Multirotor Test Bed (MTB). The MTB, developed by NASA Ames Research Center, is a new capability for testing a wide array of advanced vertical take-off and landing (VTOL) rotor configurations, with a primary focus on testing in the U.S. Army 7-by 10-Foot Wind Tunnel at NASA Ames Research Center. The MTB was designed to allow adjustment of the vertical, lateral, and longitudinal placement of up to six rotors, as well as allow tilt adjustment of each rotor and pitch adjustment of the whole assembly. The six-axis load cells under each rotor give the MTB the capability of measuring the rotor performance in a wide array of configurations. The overall goal of the MTB project is to help gain a better understanding of the performance, control, interactional aerodynamics, and acoustics of multirotor and tilting-rotor systems. For the work presented here, the MTB data were used to validate RotCFD and CHARM results for several multirotor test configurations. With confidence in both analyses established by the validation exercise, additional simulations were performed to explore quadrotor configurations that will be tested during the MTB’s second wind tunnel entry planned for 2022. This second tunnel entry will examine quadrotor configurations that represent published NASA reference designs for urban air mobility concept vehicles. Results from this paper confirm the ability of RotCFD and CHARM to simulate multirotor aerodynamic interactions on individual rotor performance under edgewise forward-flight conditions.

CHARM↗

NASA NTRSDate not supplied

Comparison of the CHARM Predictions of the Multirotor Test Bed with Wind Tunnel Experimental Results

Urban air mobility as a fast transportation solution has captured the attention of private companies and government aviation departments in the 21st century. New designs of aerial vehicles are being developed to meet industry needs but often neglect the aerodynamic characteristics and the effects of interacting rotors. This work focuses on predicting rotor behavior and understanding the importance of the rotor wake interaction for future urban air mobility (UAM) designs. The Multirotor Test Bed (MTB) project was initiated at NASA Ames Research center to support the NASA Revolutionary Vertical Lift Technology Project to study rotorcraft performance specifically for multirotor aircraft. The MTB is a modular multirotor test stand that makes testing feasible for up to six rotors at different angles and rotor arrangements, including Tall and Short configurations at different horizontal and vertical rotor separation distances. The MTB was tested in the U.S Army’s 7-by 10-Foot Wind Tunnel at NASA Ames Research Center in late 2019. This work focuses on exploring the impact of aerodynamic interactions between the MTB rotors using the Comprehensive Hierarchical Aeromechanics Rotorcraft Model (CHARM) software. The CHARM software is capable of modeling Vertical Take Off and Landing aircraft aerodynamics in maneuvering and steady flight conditions. CHARM allows the user to define flow and body characteristics, including the rotor geometry, aerodynamic conditions, wind tunnel speed, and airfoil tables as inputs. As the first step, a single MTB rotor was simulated in hover, and the results were compared with wind tunnel test data to confirm the CHARM parameters. Once the accurate performance was verified, the MTB rotors were simulated in forward flight, and each rotor was trimmed to the measured thrust. The simulation variables include one, two, four, and six rotors at the Short and Tall configurations, with MTB pitch angles of 0, -5, and -10 degrees. The MTB was simulated with and without wind tunnel walls. These results demonstrate the rotor wake interaction and its impact on rotor performance. This information also helps determine which configurations should be explored for future wind tunnel tests.

CHARM Predictions↗

NASA NTRSDate not supplied

Rotor Performance Predictions of a Next Generation Mars Science Helicopter

Since Ingenuity took flight and proved aerial capabilities on Mars, the horizon for rotorcraft on the Red Planet has only expanded. One proposed future Martian rotorcraft is the Mars Science Helicopter (MSH). The MSH is a hexacopter capable of carrying scientific payloads. As a part of its joint development by NASA Ames Research Center (ARC) and the Jet Propulsion Laboratory (JPL), key MSH rotor components will be tested inside the in-development Reduced Atmospheric Pressure Testing Of Rotors (RAPTOR) wind tunnel in the Planetary Aeolian Laboratory (PAL) at NASA ARC. In preparation for the test, the Comprehensive Hierarchical Aeromechanics Rotorcraft Model (CHARM) analysis was utilized to predict the aerodynamic performance for one MSH hexacopter isolated rotor. This paper provides an overview of the planned experiments involving the MSH reference blades, as well as CHARM pretest predictions of rotor performance in hover and forward flight. Additionally, the interference effects of wind tunnel walls on rotor performance will be evaluated to inform the test matrix of the upcoming test in the RAPTOR tunnel.

MHS↗

NASA NTRSDate not supplied

Airfoil Table Generation and Validation for the VR-12 and SSC-A09 Airfoils and Quadrotor Performance Prediction

As part of NASA’s Urban Air Mobility (UAM) mission, the Revolutionary Vertical Lift Technology (RVLT) project is creating rotorcraft reference designs that can be used by the rotorcraft community to develop quiet, efficient, and safer air vehicles. At NASA, this effort is made possible by the use of the RVLT toolchain software. Airfoil tables are often a critical part of the conceptual design process as they inform both comprehensive analysis and Computational Fluid Dynamics (CFD) codes of 2D aerodynamic coefficients, such as lift, drag, and moment coefficients. These airfoil tables, typically generated during experimental testing, are often proprietary and thus not widely distributable; further, there is not always clear or available reference documentation that provides information on the test conditions. The airfoil tables from these experiments are referred to in this work as Legacy airfoil tables. The scope of this study is to generate airfoil tables with the NASA OVERset grid CFD FLOW solver (OVERFLOW) coupled with the AirFoil Table Generator (AFTGen) software and validate these airfoil tables based on performance predictions calculated in Comprehensive Hierarchical Aeromechanics Rotorcraft Model (CHARM). The overall goal is to provide CFD generated airfoil tables, validate them through comprehensive analysis, and publish the airfoil tables for public distribution. The RVLT quadrotor reference model was selected as the basis for all analyses. The quadrotor uses the VR-12 and SSC-A09 airfoils for its rotor blades. Simulations were run in OVERFLOW for the VR-12 and SSC-A09 airfoils for ±20° angles of attack, Mach numbers from 0.3 to 1.0, and a Reynolds-Mach proportionality constant of 1.023x107. The C81 format airfoil tables from AFTGen were then blended with Legacy NACA 0012 airfoil table data for ±20° to ±180° angle of attack range. CHARM was used to compute thrust coefficient, power coefficient, and figure of merit for an isolated rotor in hover using proprietary legacy airfoil tables for the VR-12 and SSC-A09, as well as with the OVERFLOW generated airfoil tables for the VR-12 and SSC-A09. Overall, the OVERFLOW and Legacy performance predictions agreed well, with the best correlation between simulated and Legacy data observed with the VR-12 airfoil tables.

Airfoil↗

DOE OSTI2025

Lens Model Accuracy in the Expected LSST Lensed AGN Sample

Strong gravitational lensing of active galactic nuclei (AGN) enables measurements of cosmological parameters through time-delay cosmography (TDC). With data from the upcoming LSST survey, we anticipate using a sample of O(1000) lensed AGN for TDC. To prepare for this dataset and enable this measurement, we construct and analyze a realistic mock sample of 1300 systems drawn from the OM10 (Oguri & Marshall 2010) catalog of simulated lenses with AGN sources at $z<3.1$ in order to test a key aspect of the analysis pipeline, that of the lens modeling. We realize the lenses as power law elliptical mass distributions and simulate 5-year LSST i-band coadd images. From every image, we infer the lens mass model parameters using neural posterior estimation (NPE). Focusing on the key model parameters, $θ_E$ (the Einstein Radius) and $γ_{lens}$ (the projected mass density profile slope), with consistent mass-light ellipticity correlations in test and training data, we recover $θ_E$ with less than 1% bias per lens, 6.5% precision per lens and $γ_{lens}$ with less than 3% bias per lens, 8% precision per lens. We find that lens light subtraction prior to modeling is only useful when applied to data sampled from the training prior. If emulated deconvolution is applied to the data prior to modeling, precision improves across all parameters by a factor of 2. Finally, we combine the inferred lens mass models using Bayesian Hierarchical Inference to recover the global properties of the lens sample with less than 1% bias.

Venkatraman, Padmavathi [Illinois U., Urbana; KIPA↗