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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.

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At least 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Incremental Parallelization of Non-Data-Parallel Programs Using the Charon Message-Passing Library

Message passing is among the most popular techniques for parallelizing scientific programs on distributed-memory architectures. The reasons for its success are wide availability (MPI), efficiency, and full tuning control provided to the programmer. A major drawback, however, is that incremental parallelization, as offered by compiler directives, is not generally possible, because all data structures have to be changed throughout the program simultaneously. Charon remedies this situation through mappings between distributed and non-distributed data. It allows breaking up the parallelization into small steps, guaranteeing correctness at every stage. Several tools are available to help convert legacy codes into high-performance message-passing programs. They usually target data-parallel applications, whose loops carrying most of the work can be distributed among all processors without much dependency analysis. Others do a full dependency analysis and then convert the code virtually automatically. Even more toolkits are available that aid construction from scratch of message passing programs. None, however, allows piecemeal translation of codes with complex data dependencies (i.e. non-data-parallel programs) into message passing codes. The Charon library (available in both C and Fortran) provides incremental parallelization capabilities by linking legacy code arrays with distributed arrays. During the conversion process, non-distributed and distributed arrays exist side by side, and simple mapping functions allow the programmer to switch between the two in any location in the program. Charon also provides wrapper functions that leave the structure of the legacy code intact, but that allow execution on truly distributed data. Finally, the library provides a rich set of communication functions that support virtually all patterns of remote data demands in realistic structured grid scientific programs, including transposition, nearest-neighbor communication, pipelining, gather/scatter, and redistribution. At the end of the conversion process most intermediate Charon function calls will have been removed, the non-distributed arrays will have been deleted, and virtually the only remaining Charon functions calls are the high-level, highly optimized communications. Distribution of the data is under complete control of the programmer, although a wide range of useful distributions is easily available through predefined functions. A crucial aspect of the library is that it does not allocate space for distributed arrays, but accepts programmer-specified memory. This has two major consequences. First, codes parallelized using Charon do not suffer from encapsulation; user data is always directly accessible. This provides high efficiency, and also retains the possibility of using message passing directly for highly irregular communications. Second, non-distributed arrays can be interpreted as (trivial) distributions in the Charon sense, which allows them to be mapped to truly distributed arrays, and vice versa. This is the mechanism that enables incremental parallelization. In this paper we provide a brief introduction of the library and then focus on the actual steps in the parallelization process, using some representative examples from, among others, the NAS Parallel Benchmarks. We show how a complicated two-dimensional pipeline-the prototypical non-data-parallel algorithm- can be constructed with ease. To demonstrate the flexibility of the library, we give examples of the stepwise, efficient parallel implementation of nonlocal boundary conditions common in aircraft simulations, as well as the construction of the sequence of grids required for multigrid.

VanderWijngaart, Rob F.↗
DOE OSTI2024

Generating synthetic signaling networks for in silico modeling studies

Predictive models of signaling pathways have proven to be difficult to develop. Reasons include the uncertainty in the number of species, the complexity in species’ interactions, and the sparseness and uncertainty in experimental data. Traditional approaches to developing mechanistic models rely on collecting experimental data and fitting a single model to that data. This approach works for simple systems but has proven unreliable for complex systems such as biological signaling networks. For example, uncertainty and sparseness of the data often result in overfitted models that have little predictive value beyond recapitulating the experimental data itself. Thus, there is a need to develop new approaches to create predictive mechanistic models of complex systems. However, to determine the effectiveness of any new algorithm, a baseline model is needed to test its performance. To meet this need, we developed a method for generating artificial synthetic networks that are reasonably realistic and thus can be treated as ground truth models. These synthetic models can then be used to generate synthetic data for developing and testing algorithms designed to recover the underlying network topology and associated parameters. Here, we describe a simple approach for generating synthetic signaling networks that can be used for this purpose.

42 ENGINEERING↗
NASA NTRS1996

Simulations of Turbine Cooling Flows Using a Multiblock-Multigrid Scheme

Results from numerical simulations of air flow and heat transfer in a 'branched duct' geometry are presented. The geometry contains features, including pins and a partition, as are found in coolant passages of turbine blades. The simulations were performed using a multi-block structured grid system and a finite volume discretization of the governing equations (the compressible Navier-Stokes equations). The effects of turbulence on the mean flow and heat transfer were modeled using the Baldwin-Lomax turbulence model. The computed results are compared to experimental data. It was found that the extent of some regions of high heat transfer was somewhat under predicted. It is conjectured that the underlying reason is the local nature of the turbulence model which cannot account for upstream influence on the turbulence field. In general, however, the comparison with the experimental data is favorable.

Steinthorsson, Erlendur↗
DOE OSTI2021

Evaluating the Benefits of Bayesian Hierarchical Methods for Analyzing Heterogeneous Environmental Datasets: A Case Study of Marine Organic Carbon Fluxes

Large compilations of heterogeneous environmental observations are increasingly available as public databases, allowing researchers to test hypotheses across datasets. Statistical complexities arise when analyzing compiled data due to unbalanced spatial sampling, variable environmental context, mixed measurement techniques, and other reasons. Hierarchical Bayesian modeling is increasingly used in environmental science to describe these complexities, however few studies explicitly compare the utility of hierarchical Bayesian models to simpler and more commonly applied methods. Here we demonstrate the utility of the hierarchical Bayesian approach with application to a large compiled environmental dataset consisting of 5,741 marine vertical organic carbon flux observations from 407 sampling locations spanning eight biomes across the global ocean. We fit a global scale Bayesian hierarchical model that describes the vertical profile of organic carbon flux with depth. Profile parameters within a particular biome are assumed to share a common deviation from the global mean profile. Individual station-level parameters are then modeled as deviations from the common biome-level profile. The hierarchical approach is shown to have several benefits over simpler and more common data aggregation methods. First, the hierarchical approach avoids statistical complexities introduced due to unbalanced sampling and allows for flexible incorporation of spatial heterogeneitites in model parameters. Second, the hierarchical approach uses the whole dataset simultaneously to fit the model parameters which shares information across datasets and reduces the uncertainty up to 95% in individual profiles. Third, the Bayesian approach incorporates prior scientific information about model parameters; for example, the non-negativity of chemical concentrations or mass-balance, which we apply here. We explicitly quantify each of these properties in turn. We emphasize the generality of the hierarchical Bayesian approach for diverse environmental applications and its increasing feasibility for large datasets due to recent developments in Markov Chain Monte Carlo algorithms and easy-to-use high-level software implementations.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2017

Aeolus -A Mission to Study the Thermal and Wind Environment of Mars

Aeolus is a small satellite mission to observe surface and atmospheric forcing and general circulation of Mars, by measuring surface energy balance, atmospheric temperatures, aerosols and clouds, and winds. Critically, Aeolus will make these measurements at all local times of day, providing information on both seasonal and diurnal variability. To date, direct measurements of Martian wind speeds have only been possible at the surface, only during daylight hours, and over small areas limited by rover traverse capabilities. From orbit, thermal measurements (e.g., estimates from assumed geostrophic balance) as well as images of dust storms and dune migration have provided inputs to derive current data sets on Martian winds. However, Mars General Circulation models demonstrate that wind speeds derived from these indirect measurements may be in error by 50 to 100%. For this reason, direct wind velocity measurements have been deemed "High Priority" by MEPAG (Mars Exploration Program Analysis Group); measuring wind speeds and corresponding thermal data is vital to understanding the climate of Mars. Aeolus will carry four Spatial Heterodyne Spectrometers (SHS), coupled to two orthogonal viewing telescopes. These high-resolution near-infrared spectrometers will measure CO2 (daytime absorption) and O2 (day and night emission) lines in the Martian atmosphere. Doppler shifts in these lines can be measured during Martian day and night, resolving wind speeds down to ~5 m/s. Orthogonal views allow the spectrometers to capture wind vectors over all observation locations. Aeolus will also carry the atmospheric limb-viewing Thermal Limb Sounder (TLS) to measure atmospheric temperatures, water ice clouds, and dust abundances across all altitudes where winds are measured. Finally, the Surface Radiometric Sensor Package (SuRSeP), a nadir viewing radiometer, will measure the total reflected solar and emitted thermal radiance, surface temperature, and water cloud and dust total column abundances. The combined spectral and thermal measurements will provide a new understanding of the global energy balance, dust transport processes, and climate cycles in the Martian atmosphere. Aeolus will consist of a single satellite in a near-polar orbit, allowing it to pass over all local times, with the baseline mission observing all seasons of an entire Martian year (two Earth years). Aeolus was one of two Martian smallsat concepts selected for study through the Planetary Science Deep Space SmallSat Studies program. This talk will provide an overview of the mission, including science rationale, instruments, spacecraft, and mission operations concept.

and winds↗
NASA NTRSDate not supplied

Material Response Analysis of PICA-NuSil at the Hypersonic Materials Environmental Test System

Phenolic impregnated carbon ablator (PICA) is a thermal protection system (TPS) that gained heritage during the Stardust mission and is the baseline TPS material for expeditions to Mars (e.g., Mars Science Laboratory and Mars 2020).1 PICA is friable; therefore, a polysiloxane resin (NuSil CV-1144-0) is deposited onto the surface of flight hardware before assembly, test, and launch operations (ATLO) to mitigate particle shedding. Furthermore, the Mars Science Laboratory (MSL) and Mars 2020 heatshields were instrumented with an array of thermocouple plugs (MEDLI Integrated Sensor Plugs or MISP) designed to measure the in-depth thermal response of PICA during flight. Post-flight analysis of MISP data suggests that recession was lower than predicted, and NuSil is suspected as a reasonable cause. NuSil primarily consists of a copolymer blend of dimethyl and diphenyl-substituted polysiloxane resin. Four decades of research in the field of polymer-derived ceramics demonstrate that polysiloxane resins form oxidation-resistant silicon oxycarbide materials at pyrolysis temperatures as low as 800 °C. -2 Furthermore, silicon oxycarbide materials exhibit excellent thermal stability at relatively high-temperatures (< 1200 °C) but eventually decompose via carbothermal reduction. -3 Therefore, it is reasonable to suggest that NuSil forms an oxidation-resistant thermal barrier coating on the TPS surface and influences the material response during atmospheric entry. Evidence for this notion was observed during prior arc-jet testing at both the Aerodynamic Heating Facility (AHF) and the Panel Test Facility (PTF) at the NASA Ames Research Center. Articles of PICA were subjected to testing in airflow, and a temperature discontinuity was recorded at the surface of coupons coated with NuSil. A glassy coating was observed to form at the surface in shear flow configurations (wedge and panel) under moderate heat fluxes. Furthermore, state-of-the-art material response models have yet to account for the underlying physics and chemistry of the temperature discontinuity. To this end, a pathfinder test campaign was executed at the Hypersonic Materials Environmental Test System (HyMETS) to enhance the fundamental understanding of PICA-NuSil ablation phenomena and provide a preliminary data set to aid in the development of material response models.

PICA↗
DOE OSTI2024

Energy Materials Chemistry Integrating Theory, Experiment and Data Science (Final Report)

The Energy Materials Chemistry Integrating Theory, Experiment and Data Science (EM-CITED) project is a multidisciplinary research effort focused on accelerating discovery of scientific knowledge via incorporation of data science and artificial intelligence in materials chemistry research. The project aims to advance materials chemistry-aware data science to unify theory and experiment knowledge streams. The work resulted in foundational AI frameworks for materials chemistry – Deep Reasoning Networks (DRNets), Hierarchical Correlation Learning for Multi-property Prediction (H-CLMP), and Material-to-Spectrum (Mat2Spec) prediction – as well as a host of strategies for accelerated scientific discoveries through principled incorporation of data science in computational and experimental research.

36 MATERIALS SCIENCE↗
NASA NTRS2006

Controlled Vocabularies Boost International Participation and Normalization of Searches

The Global Change Master Directory's (GCMD) science staff set out to document Earth science data and provide a mechanism for it's discovery in fulfillment of a commitment to NASA's Earth Science progam and to the Committee on Earth Observation Satellites' (CEOS) International Directory Network (IDN.) At the time, whether to offer a controlled vocabulary search or a free-text search was resolved with a decision to support both. The feedback from the user community indicated that being asked to independently determine the appropriate 'English" words through a free-text search would be very difficult. The preference was to be 'prompted' for relevant keywords through the use of a hierarchy of well-designed science keywords. The controlled keywords serve to 'normalize' the search through knowledgeable input by metadata providers. Earth science keyword taxonomies were developed, rules for additions, deletions, and modifications were created. Secondary sets of controlled vocabularies for related descriptors such as projects, data centers, instruments, platforms, related data set link types, and locations, along with free-text searches assist users in further refining their search results. Through this robust 'search and refine' capability in the GCMD users are directed to the data and services they seek. The next step in guiding users more directly to the resources they desire is to build a 'reasoning' capability for search through the use of ontologies. Incorporating twelve sets of Earth science keyword taxonomies has boosted the GCMD S ability to help users define and more directly retrieve data of choice.

Olsen, Lola M.↗
NASA NTRS2015

Assessment of New Load Schedules for the Machine Calibration of a Force Balance

New load schedules for the machine calibration of a six-component force balance are currently being developed and evaluated at the NASA Ames Balance Calibration Laboratory. One of the proposed load schedules is discussed in the paper. It has a total of 2082 points that are distributed across 16 load series. Several criteria were applied to define the load schedule. It was decided, for example, to specify the calibration load set in force balance format as this approach greatly simplifies the definition of the lower and upper bounds of the load schedule. In addition, all loads are assumed to be applied in a calibration machine by using the one-factor-at-a-time approach. At first, all single-component loads are applied in six load series. Then, three two-component load series are applied. They consist of the load pairs (N1, N2), (S1, S2), and (RM, AF). Afterwards, four three-component load series are applied. They consist of the combinations (N1, N2, AF), (S1, S2, AF), (N1, N2, RM), and (S1, S2, RM). In the next step, one four-component load series is applied. It is the load combination (N1, N2, S1, S2). Finally, two five-component load series are applied. They are the load combination (N1, N2, S1, S2, AF) and (N1, N2, S1, S2, RM). The maximum difference between loads of two subsequent data points of the load schedule is limited to 33 % of capacity. This constraint helps avoid unwanted load "jumps" in the load schedule that can have a negative impact on the performance of a calibration machine. Only loadings of the single- and two-component load series are loaded to 100 % of capacity. This approach was selected because it keeps the total number of calibration points to a reasonable limit while still allowing for the application of some of the more complex load combinations. Data from two of NASA's force balances is used to illustrate important characteristics of the proposed 2082-point calibration load schedule.

wind tunnel testing↗
NASA NTRSDate not supplied

Risks of Increased Earth Independence

As human space exploration begins to extend beyond the immediate vicinity of Earth, the ability of expertise on the ground to support operations will progressively decrease. Ground control expertise has been the primary countermeasure preventing loss of life and mission over the past sixty years and it will be gradually stripped away as expeditions reach further into space. The large, flexible and adaptive teams of experts on the ground, provide not only engineering analysis and problem-solving but also greatly increased work capacity. Monitoring of the large and fast moving stream of telemetry data is carried out around the clock by 20-30 flight controllers per shift. Analysis of that data and troubleshooting is carried out by an additional 50-100 engineers per shift. Artificial intelligence capabilities will need to be part of the solution but will not the entire solution. As progress continues to be made on intelligent systems, especially those for use in complex, dynamic environments where humans will remain a part of the activity, there is an ever increasing need to focus on how those systems will interact with the humans. Although capabilities such as natural language processing and facial recognition have become common place, even basic aspects of problem-solving, causal reasoning and generative decision-making remain well-beyond of our current capabilities. Advanced data visualization, procedure execution support, and new training approaches will be needed to close the gap between what is currently provided by experts on the ground and what the crew will need to do in increasingly autonomous ways with greater distance from Earth.

human-systems integration architecture↗
DOE OSTI2021

Long-Term Creep-Rupture Behavior of Alloy Inconel 740/740H

To explore potential application of Ni-based alloys for power generation at the higher temperatures and pressures needed to achieve high thermal to electrical-energy conversion efficiency, an extensive creep-rupture dataset covering up to 875 °C and almost 70,000 h for Inconel 740/740H was analyzed using Larson–Miller parameter and Wilshire approaches. The results were used to assess the relative effectiveness of the two analytical methods, both in describing the experimental data and, because of the breadth of the dataset, using analyses of its shorter-time data to make creep lifetime predictions for much more extended times, which were then directly compared to the measured rupture times. The respective methods were also used to predict creep-limited lifetimes relevant to power production (that is, 100,000 h or greater). Despite the complexity of the precipitation-strengthened Inconel 740/740H alloy and the generalized parametric approach of these methodologies, the predictions based on such were reasonably accurate when the entire dataset was analyzed. However, when the analysis was confined to only data for conditions yielding creep-rupture times < 5,000 h( about 65 % of the entire dataset), the Wilshire correlation yielded better prediction for longer time lifetimes due to the inherent instability of the specific Larson–Miller formalism used in this analysis when extrapolated significantly outside its analysis range.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Optimal Design of Sustainable Ammonia-Based Food–Energy–Water Systems with Nitrogen Management

As the basis for virtually any form of nitrogen fertilizers, ammonia plays a vital role in agriculture; in addition, there has been an increased interest in its use as a carbon-free energy carrier. However, ammonia is also associated with two major environmental concerns: CO 2 emissions from the conventional production process and nitrogen pollution from the excessive use of ammonia-based fertilizers. To mitigate these environmental impacts, we develop an optimization framework for the design of a sustainable ammonia-based agricultural system that synergistically integrates the production of ammonia from renewable resources and effective measures for nitrogen management. The proposed model captures the effect of intermittency by incorporating both design and detailed operational decisions. Here, by applying a multiscale time representation that reduces the problem size and a tailored surrogate model that accurately approximates model nonlinearity, we are able to achieve optimal solutions within reasonable computation times. A computational case study is conducted using real-world data from a local farm in Morris, Minnesota, and the results indicate the trade-off between cost and nitrogen loss. Importantly, we show that practicing effective nitrogen management can significantly reduce the nitrogen loss with only a small increase in net present cost.

10 SYNTHETIC FUELS↗
DOE OSTI2021

A Lagrangian perspective on tropical anvil cloud lifecycle in present and future climate

The evolution of tropical anvil clouds from their origin in deep convective cores to their slow decay determines the climatic effects of clouds in tropical convective regions. Despite the relevance of anvil clouds for climate and responses of clouds to global warming, processes dominating their evolution are not well understood. Currently available observational data reveal instantaneous snapshots of anvil cloud properties, but cannot provide a process-based perspective on anvil evolution. We therefore conduct simulations with the high resolution version of the Exascale Earth System Model in which we track mesoscale convective systems over the Tropical Western Pacific and compute trajectories that follow air parcels detrained from peaks of convective activity. With this approach we gain new insight into the anvil cloud evolution both in present day and future climate. Comparison with geostationary satellite data shows that the model is able to simulate maritime mesoscale convective systems reasonably well. Trajectory results indicate that anvil cloud lifetime is about 15 hours with no significant change in a warmer climate. The anvil ice mixing ratio is larger in a warmer climate due to a larger source of ice by detrainment and larger depositional growth leading to a more negative net cloud radiative effect along detrained trajectories. However, the increases in sources are counteracted by increases in sinks of ice, particularly snow formation and sedimentation. Furthermore, we find that the mean anvil cloud feedback along trajectories is positive and consistent with results from more traditional cloud feedback calculation methods.

climate, weather, mesocale cellular convection↗
DOE OSTI2021

Modeling Terrestrial Dissolved Organic Carbon Loading to Western Arctic Rivers

The mobilization and land-to-ocean transfer of dissolved organic carbon (DOC) in Arctic watersheds is intricately linked with the region's climate and water cycle, and furthermore at risk of changes from climate warming and associated impacts. This study quantifies model-simulated estimates of runoff, surface and active layer leachate DOC concentrations and loadings to western Arctic rivers, specifically for basins that drain into coastal waters between and including the Yukon and Mackenzie Rivers. Model validation leverages data from other field measurements, synthesis studies, and modeling efforts. The simulations effectively quantify DOC leaching in surface and subsurface runoff and broadly capture the seasonal cycle in DOC concentration and mass loadings reported from other studies that use river-based measurements. A marked east-west gradient in simulated spring and summer DOC concentrations of 24 drainage basins on the North Slope of Alaska is captured by the modeling, consistent with independent data derived from river sampling. Simulated loadings for the Mackenzie and Yukon show reasonable agreement with estimates of DOC export for annual totals and four of the six seasonal comparisons. Nearly equivalent loading occurs to rivers which drain north to the Beaufort Sea and west to the Bering and Chukchi Seas. The modeling framework provides a basis for understanding carbon export to coastal waters and for assessing impacts of hydrological cycle intensification and permafrost thaw with ongoing warming in the Arctic.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Physics–Informed Neural Networks of the Saint–Venant Equations for Downscaling a Large–Scale River Model

Large-scale river models are being refined over coastal regions to improve the scientific understanding of coastal processes, hazards and responses to climate change. However, coarse mesh resolutions and approximations in physical representations of tidal rivers limit the performance of such models at resolving the complex flow dynamics near the river-ocean interface, resulting in inaccurate simulations of flood inundation. In this research, we propose a machine learning (ML) framework based on the state-of-the-art physics-informed neural network (PINN) to simulate the downscaled flow at the subgrid scale. First, we demonstrate that PINN is able to assimilate observations of various types and solve the one-dimensional (1-D) Saint-Venant equations (SVE) directly. We perform the flow simulations over a floodplain and along an open channel in several synthetic case studies. The PINN performance is evaluated against analytical solutions and numerical models. Our results indicate that the PINN solutions of water depth have satisfactory accuracy with limited observations assimilated. In the case of flood wave propagation induced by storm surge and tide, a new neural network architecture is proposed based on Fourier feature embeddings that seamlessly encodes the periodic tidal boundary condition in the PINN's formulation. Furthermore, we show that the PINN-based downscaling can produce more reasonable subgrid solutions of the along-channel water depth by assimilating observational data. The PINN solution outperforms the simple linear interpolation in resolving the topography and dynamic flow regimes at the subgrid scale. This study provides a promising path towards improving emulation capabilities in large-scale models to characterize fine-scale coastal processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Impact of various DIII-D diagnostics on the accuracy of neural network surrogates for kinetic EFIT reconstructions

Abstract Kinetic equilibrium reconstructions make use of profile information such as particle density and temperature measurements in addition to magnetics data to compute a self-consistent equilibrium. They are used in a multitude of physics-based modeling. This work develops a multi-layer perceptron (MLP) neural network (NN) model as a surrogate for kinetic Equilibrium Fitting (EFITs) and trains on the 2019 DIII-D discharge campaign database of kinetic equilibrium reconstructions. We investigate the impact of including various diagnostic data and machine actuator controls as input into the NN. When giving various categories of data as input into NN models that have been trained using those same categories of data, the predictions on multiple equilibrium reconstruction solutions (poloidal magnetic flux, global scalars, pressure profile, current profile) are highly accurate. When comparing different models with different diagnostics as input, the magnetics-only model outputs accurate kinetic profiles and the inclusion of additional data does not significantly impact the accuracy. When the NN is tasked with inferring only a single target such as the EFIT pressure profile or EFIT current profile, we see a large increase in the accuracy of the prediction of the kinetic profiles as more data is included. These results indicate that certain MLP NN configurations can be reasonably robust to different burning-plasma-relevant diagnostics depending on the accuracy requirements for equilibrium reconstruction tasks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Transient recovery problem in acoustics: A multichannel model-based deconvolution approach

Critical acoustical systems operating in complex environments contaminated with disturbances and noise offer an extreme challenge when excited by out-of-the-ordinary, impulsive, transient events that can be undetected and seriously affect their overall performance. Transient impulse excitations must be detected, extracted, and evaluated to determine any potential system damage that could have been imposed; therefore, the problem of recovering the excitation in an uncertain measurement environment becomes one of multichannel deconvolution. Recovering a transient and its initial energy has not been solved satisfactorily, especially when the measurement has been truncated and only a small segment of response data is available. The development of multichannel deconvolution techniques for both complete and incomplete excitation data is discussed, employing a model-based approach based on the state-space representation of an identified acoustical system coupled to a forward modeling solution and a Kalman-type processor for enhancement and extraction. In conclusion, synthesized data are utilized to assess the feasibility of the various approaches, demonstrating that reasonable performance can be achieved even in noisy environments.

42 ENGINEERING↗
DOE OSTI2025

LLaMP v0.1.0

Reducing hallucination of Large Language Models (LLMs) is imperative for use in the sciences, where reliability and reproducibility are crucial. However, LLMs inherently lack long-term memory, making it a nontrivial, ad hoc, and inevitably biased task to fine-tune them on domain-specific literature and data. LLaMP is a multimodal retrieval-augmented generation (RAG) framework of hierarchical reasoning and acting (ReAct) agents that can dynamically and recursively interact with Materials Project to ground large language models on high-fidelity materials informatics.

Riebesell, Janosh [Lawrence Berkeley National Labo↗