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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 865 records · Page 48

Application of a comprehensive analytical model of rotorcraft aerodynamics and dynamics (CAMRAD) to the McDonnell Douglas AH-64A helicopter

CAMRAD results on main rotor blade natural frequency and structural loads predictions are compared to flight test data and predictions of the Dynamic Analysis Research Tool (DART) and the Rotor/Airframe Comprehensive Aeroelastic Program (RACAP). Consideration is also given to the effects of various analytical options available in CAMRAD including dynamic stall, wake modeling, and the number of bending and torsion degrees of freedom included in the structural analysis. It is concluded that, while several modeling limitations are identified in the CAMRAD structural analyses, the structural loads predictions are as accurate as analysis codes which provide more representative models of the complex geometries and structures of the AH-64A rotor system. However, it is noted that the CAMRAD analysis cannot be considered fully reliable for dynamic predictions for more advanced bearingless rotor designs being proposed for future AH-64 configurations.

Callahan, C.↗

Effect of spectral shape on acoustic fatigue life estimates

Methods for estimating fatigue life due to random loading are briefly reviewed. These methods include a probabilistic approach in which the expected value of the rate of damage accumulation is computed by integrating over the probability density of damaging events and a method which consists of analyzing the response time history to count damaging events. It is noted that it is necessary to employ a time domain approach to perform Rainflow counting, while simple peak counting may be accomplished using the probabilistic method. Data obtained indicate that Rainflow counting produces significantly different fatigue life predictions than other methods that are commonly used in acoustic fatigue predictions. When low-frequency oscillations are present in a signal along with high-frequency components, peak counting will produce substantially shorter fatigue lives than Rainflow counting. It is concluded that Rainflow counting is capable of providing reliable fatigue life predictions for acoustic fatigue studies.

Miles, R. N.↗

A Mechanistic Model for Relative Permeability of Gas and Water Flow in Hydrate-Bearing Porous Media With Capillarity

Lack of mechanistic models to describe petrophysical properties of mobile phases in gas hydrate–bearing sediments is one of the key challenges in accurately predicting gas production. The major drawback of empirical models that are used to fit a relative permeability curve for mobile phases in gas hydrate–bearing sediments is that they are based on experimental data, which are limited, and not able to account for hydrate morphology in pore space. This study proposes a relative permeability model that is mechanistic in nature and developed to account capillarity by building on the original nonempirical relative permeability model that assumes negligible capillary pressure. The proposed model implicitly accounts for capillarity with the help of four empirical parameters (two for each mobile phase) that incorporate each mobile phase pressure. It is shown that the proposed model provides an improved match to relative permeability data (derived from pore–scale simulation of gas hydrate–bearing sediments) than nonempirical relative permeability by accounting for the effect of capillary pressure. Additionally, unlike fully empirical models that can predict relative permeabilities reliably only at gas hydrate saturations for which experimental data are available, the proposed model only requires fitting the empirical parameters once with experimental data at any single gas hydrate saturation and then it can then be used to predict relative permeability at any gas hydrate saturation. Here, the mechanistic nature of the proposed model allows studying relative permeability of hydrate–bearing sediments as a function of hydrate morphology and wettability (fluid phase distribution) besides other physical parameters of the model (e.g., porosity, gas, and water residual saturation). Based on the sensitivity analysis of different hydrate morphologies on gas/water relative permeability, it is found that gas relative permeability is sensitive to hydrate morphologies, while water relative permeability shows little dependency on hydrate localization in pore space.

58 GEOSCIENCES↗

The application of the statistical theory of extreme values to gust-load problems

An analysis is presented which indicates that the statistical theory of extreme values is applicable to the problems of predicting the frequency of encountering the larger gust loads and gust velocities for both specific test conditions as well as commercial transport operations. The extreme-value theory provides an analytic form for the distributions of maximum values of gust load and velocity. Methods of fitting the distribution are given along with a method of estimating the reliability of the predictions. The theory of extreme values is applied to available load data from commercial transport operations. The results indicate that the estimates of the frequency of encountering the larger loads are more consistent with the data and more reliable than those obtained in previous analyses. (author)

Press, Harry↗

Mitigative Strategies for Recovering From Large Language Model Trust Violations

In this study, we investigated strategies to address trust issues arising from errors in large language models (LLMs). The study examined the impact of confidence scores, system capability explanations, and user feedback on trust restoration post-error. 68 participants viewed the responses of an LLM to 20 general trivia questions, with an error introduced on the third trial. Each participant was presented with one mitigation strategy. Participants rated their overall trust in the model and the reliability of the answer. Results showed an immediate drop in trust after the error; however, there were no differences across the three strategies in trust recovery. All conditions had a logarithmic trend in trust recovery following error. Differences in overall trust were predicted by perceived reliability of the answer, suggesting that participants were evaluating results critically and using that to inform their trust in the model. Qualitative data supported this finding; participants expressed lasting distrust despite the LLM’s later accuracy. Results showcase the need to prioritize accuracy in LLM deployment, because early errors may irrevocably damage user trust calibration and later adoption.

97 MATHEMATICS AND COMPUTING↗

Controls on Barite (BaSO 4 ) Precipitation in Unconventional Reservoirs

Barite (BaSO 4 ) precipitation is one of the most ubiquitous examples of secondary sulfate mineral scaling in shale oil and gas reservoirs. Often, a suite of chemical additives is used during fracturing operations to inhibit the accumulation of mineral scales, though their efficacy is widely varied and poorly understood. This study combines experimental data and multi-component numerical reactive transport modeling to offer a more comprehensive understanding of the geochemical behavior of barite accumulation in shale matrices under conditions typical of fracturing operations. A variety of additives and conditions are individually tested in batch reactor experiments to identify the factors controlling barite precipitation. Our experimental results demonstrate a pH dependence in the rate of barite precipitation, which we use to develop a predictive model including a pH-dependent term that satisfactorily reproduces our observations. Further, this model is then extended to consider the behavior of three major shale samples of highly variable mineralogy (Eagle Ford, Marcellus, and Barnett). This data-validated model offers a reliable tool to predict and ultimately mitigate against secondary mineral accumulation in unconventional shale reservoirs.

54 ENVIRONMENTAL SCIENCES↗

Multireference diffusion Monte Carlo reaches 2D materials

Abstract Quantum confinement in 2D materials strongly enhances electronic correlation effects. Therefore, predicting the properties of these unique materials, with both a high level of accuracy and computational efficiency, without relying on adjustable parameters or functionals, remains an outstanding theoretical challenge. The majority of theoretical studies are based on the approximations of density functional theory (DFT). The reliability of DFT predictions are heavily dependent on the choice of an approximated exchange-correlation functional. Here, we estimate the magnitude of impact of correlation on the total energy for the quintessential 2D material, graphene, by performing and comparing state-of-the-art selected CI and quantum Monte Carlo extrapolated calculations for a single unit cell at the$$\Gamma$$point. We demonstrate that Self-Healing Diffusion Monte Carlo (SHDMC) obtains a very compact, but high-quality wavefunction for this system that lacks the strong basis set dependence displayed by state of the art quantum chemistry methods. The SHDMC wavefunction is of higher quality compared to that obtained from sCI, in the same orbital basis, while being$$\sim$$ 1000 times smaller in terms of determinant count compared to sCI. We also demonstrate that extrapolating SHDMC results to the infinite determinant limit compares extremely well with complete basis set extrapolated sCI. Our work paves the way for future validation of SHDMC applied to challenging 2D materials.

Science & Technology - Other Topics↗

Application of artificial intelligence methods in the international roughness index prediction of rigid and composite pavements: a systematic review

The International Roughness Index (IRI) is a widely adopted metric for quantifying pavement roughness, directly influencing vehicle safety, ride comfort, and overall roadway performance. In recent years, the use of Machine Learning (ML) models for IRI prediction has gained momentum, with the goal of improving the allocation of maintenance and rehabilitation resources by enabling accurate assessments of pavement conditions. Most prior reviews, however, have concentrated on flexible pavements, leaving a notable gap regarding rigid and composite pavements. To address this gap, the present study conducts a systematic review of Artificial Intelligence (AI) methods applied to IRI prediction for rigid and composite pavements. Literature published between 2004 and 2025 is synthesized to highlight prevailing trends, methodological contributions, and directions for future research. Particular attention is given to the types of models employed, the datasets used for training and validation, and the role of input variables and data-processing strategies. Across the included studies, ensemble learning methods (especially gradient boosting variants such as XGBoost), artificial neural networks, and hybrid architectures frequently achieved high predictive skill, with several models reporting test-set coefficients of determination approaching 0.9–0.96, indicating strong potential for capturing the influence of traffic, pavement structure, and climatic factors. Since these results are obtained from heterogeneous datasets and evaluation protocols, they are interpreted qualitatively rather than as strict cross-study rankings. Analysis of input variables revealed that pavement age and initial IRI were included in 91% (21 of 23) and 78% (18 of 23) of studies, respectively. Climatic variables such as the freezing index appeared in 57% (13 of 23), while traffic-related factors were considered in 65% (15 of 23). The findings underscore the importance of standardized, high-quality datasets, such as those from the Long-Term Pavement Performance (LTPP) program, along with data consistency, model interpretability, computational efficiency, and replicability in enhancing IRI prediction. Future research should focus on incorporating input variable selection techniques to identify the most influential predictors, thereby improving accuracy and robustness. Integrating these approaches with advanced non-linear data-driven models, coupled with robust hyperparameter optimization, holds considerable promise for strengthening the reliability of IRI prediction and supporting resilient pavement management strategies.

42 ENGINEERING↗

A nonparametric software reliability growth model

Miller and Sofer have presented a nonparametric method for estimating the failure rate of a software program. The method is based on the complete monotonicity property of the failure rate function, and uses a regression approach to obtain estimates of the current software failure rate. This completely monotone software model is extended. It is shown how it can also provide long-range predictions of future reliability growth. Preliminary testing indicates that the method is competitive with parametric approaches, while being more robust.

Miller, Douglas R.↗

Accurate Prediction of pKb in Amines: Validation of the CAM-B3LYP/6-311+G(d,p)/SMD Model

Amines play several key roles in chemistry and biology and are involved in numerous industrial processes, often with significant economic impacts. Recently, amines are also garnering interest as catalysts for polymer synthesis and for CO 2 fixation, incentivizing the need to rapidly design and screen new amino compounds. Hence, developing reliable methods to predict their physicochemical properties, e.g., the base dissociation constant (pKb), is pivotal. Here, a density functional theory (DFT)-based approach was employed to compute the pKb of substituted amines, exploring the impact of several key parameters, including (i) the number of explicit water molecules at the reaction center, (ii) the van der Waals (vdW) surface, and (iii) solvent polarizability. In previous work, it was determined that including two explicit water molecules at the reaction center resulted in highly accurate pKb estimates for primary amines. Here, we find that including a third water molecule at the reaction center is essential for accurate pKb for secondary and tertiary amines. The revised methodology was then applied to a wider selection of amines, obtaining a minimum average error (MAE) < 0.4. In conclusion, this result represents an extension of our “easy-to-use method,” a simple and direct DFT approach exploiting CAM-B3LYP/SMD/6-311G+(d,p) to compute pKb without post facto modifications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Polar Ocean Observations: A Critical Gap in the Observing System and Its Effect on Environmental Predictions From Hours to a Season

There is a growing need for operational oceanographic predictions in both the Arctic and Antarctic polar regions. In the former, this is driven by a declining ice cover accompanied by an increase in maritime traffic and exploitation of marine resources. Oceanographic predictions in the Antarctic are also important, both to support Antarctic operations and also to help elucidate processes governing sea ice and ice shelf stability. However, a significant gap exists in the ocean observing system in polar regions, compared to most areas of the global ocean, hindering the reliability of ocean and sea ice forecasts. This gap can also be seen from the spread in ocean and sea ice reanalyses for polar regions which provide an estimate of their uncertainty. The reduced reliability of polar predictions may affect the quality of various applications including search and rescue, coupling with numerical weather and seasonal predictions, historical reconstructions (reanalysis), aquaculture and environmental management including environmental emergency response. Here, we outline the status of existing near-real time ocean observational efforts in polar regions, discuss gaps, and explore perspectives for the future. Specific recommendations include a renewed call for open access to data, especially real-time data, as a critical capability for improved sea ice and weather forecasting and other environmental prediction needs. Dedicated efforts are also needed to make use of additional observations made as part of the Year of Polar Prediction (YOPP; 2017– 2019) to inform optimal observing system design. To provide a polar extension to the Argo network, it is recommended that a network of ice-borne sea ice and upper-ocean observing buoys be deployed and supported operationally in ice-covered areas together with autonomous profiling floats and gliders (potentially with ice detection capability) in seasonally ice covered seas. Finally, additional efforts to better measure and parameterize surface exchanges in polar regions are much needed to improve coupled environmental prediction.

54 ENVIRONMENTAL SCIENCES↗

Improving the real-time probabilistic channel flood forecasting by incorporating the uncertainty of inflow using the particle filter

An accurate and reliable real-time flood forecast is crucial for mitigating flood disasters. The errors associated with the inflow boundary forcing data are considered as an important source of uncertainties in hydraulic model. In this paper, a real-time probabilistic channel flood forecasting model is developed with a novel function to incorporate the uncertainty of the forcing inflow. This new approach couples a hydraulic model with the particle filter (PF) data assimilation algorithm, a sequential Bayesian Monte Carlo method. The stage observations at hydrological stations are assimilated at each time step to update the model states in order to improve the next time step’s forecasting. This new approach is tested against a real flood event occurred in the upper Yangtze River. As compared with the open loop simulations, the evaluations of model performance with several deterministic and probabilistic metrics indicate that the accuracy of the ensemble mean prediction and the reliability of the uncertainty quantification are improved pronouncedly as a result of the PF assimilation. Further assessment of the prediction results at different lead times shows that the improvement of model performance deteriorates with the increase of the lead time due to the gradual diminishing of the updating effect for the initial conditions. Based on the analyses of the number of particles and the assimilation frequency, we find that the optimal number of particles can be determined by balancing the model performance and the computation cost, while a high assimilation frequency is preferred to incorporate the emerging observations to update the model states to match the real conditions.

Channel flood forecasting, probabilistic forecast,↗

A Measurement and Simulation Based Methodology for Cache Performance Modeling and Tuning

We present a cache performance modeling methodology that facilitates the tuning of uniprocessor cache performance for applications executing on shared memory multiprocessors by accurately predicting the effects of source code level modifications. Measurements on a single processor are initially used for identifying parts of code where cache utilization improvements may significantly impact the overall performance. Cache simulation based on trace-driven techniques can be carried out without gathering detailed address traces. Minimal runtime information for modeling cache performance of a selected code block includes: base virtual addresses of arrays, virtual addresses of variables, and loop bounds for that code block. Rest of the information is obtained from the source code. We show that the cache performance predictions are as reliable as those obtained through trace-driven simulations. This technique is particularly helpful to the exploration of various "what-if' scenarios regarding the cache performance impact for alternative code structures. We explain and validate this methodology using a simple matrix-matrix multiplication program. We then apply this methodology to predict and tune the cache performance of two realistic scientific applications taken from the Computational Fluid Dynamics (CFD) domain.

Waheed, Abdul↗

OVERVIEW OF ALUMINUM CLADDING OXIDE PREDICTION MODELS FOR EUROPEAN HIGH POWER RESEARCH REACTORS

UMo/Al dispersion fuel clad with aluminum alloy is a primary candidate fuel form that is being developed for the European high power research reactors (EUHPRR). In BR2 tests, water oxidation of cladding grew thick due to high powers. Excessive cladding oxidation is a cause for serious fuel performance degradation in a test while fuel performance itself may be sound. It is necessary for a fuel designer to have a reliable model to predict cladding oxidation for fuel licensing activities. Using oxide data from BR2 tests, this study reviews the prominent oxide prediction models and cladding-to-coolant heat transfer correlations. Because the oxide growth models were based upon different coolant flow conditions from those of the EUHPRR, the effect of the heat transfer correlations at the cladding-to-coolant interface on the oxide thickness prediction were also examined. The best combination of the oxide prediction model and the heat transfer correlation applicable for the EUHPRR is recommended. Since the existing oxide models were all developed for aluminum alloy types different from those currently considered for the EUHPRR, the effect of cladding alloy type is also discussed.

Research reactor fuel, aluminum oxidation, in-pile↗

Effect of Surface Roughness on Dynamic Stall in Pitching Motion

Dynamic stall plays a critical role in determining the performance and stability of a wide range of fluid-dynamics systems in various engineering applications. This unsteady aerodynamic phenomenon is particularly significant for maneuvering aircraft wings, jet aircraft subjected to gust encounters, helicopter rotor blades, and wind turbine blades [1–3]. The prediction of the dynamic stall vortex (DSV) is challenging due to factors such as unsteady aerodynamics, three-dimensional (3-D) effects, turbulence and flow separation, incoming gust, and surface impact effects [4–6]. Hence, advanced computational techniques and modeling approaches in computational fluid dynamics (CFD) would be required to enhance the accuracy and reliability of DSV predictions in dynamic stall scenarios. In the past, Batther and Lee [7] employed delayed detached eddy simulations (DDES) to understand the flow physics associated with the onset of dynamic stall. Their approach demonstrated that DDES achieves results comparable to those obtained from large-eddy simulations at a reduced computational cost. In another study, Khalifa et al. [8] examined the 3-D aspects of dynamic stall on a NACA 0012 airfoil using DES solvers. In conclusion, the findings underlined the superiority of 3-D simulations over two-dimensional approaches, particularly in predicting the lift coefficient values and capturing dynamic stall stages more precisely.

97 MATHEMATICS AND COMPUTING↗