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At least 19 records

All sources NASA NTRS DOE OSTI

DOE OSTI2021

Accurate and scalable graph neural network force field and molecular dynamics with direct force architecture

Abstract Recently, machine learning (ML) has been used to address the computational cost that has been limiting ab initio molecular dynamics (AIMD). Here, we present GNNFF, a graph neural network framework to directly predict atomic forces from automatically extracted features of the local atomic environment that are translationally-invariant, but rotationally-covariant to the coordinate of the atoms. We demonstrate that GNNFF not only achieves high performance in terms of force prediction accuracy and computational speed on various materials systems, but also accurately predicts the forces of a large MD system after being trained on forces obtained from a smaller system. Finally, we use our framework to perform an MD simulation of Li 7 P 3 S 11 , a superionic conductor, and show that resulting Li diffusion coefficient is within 14% of that obtained directly from AIMD. The high performance exhibited by GNNFF can be easily generalized to study atomistic level dynamics of other material systems.

Chemistry↗

DOE OSTI2025

Long‐Term Large‐Scale Atmospheric Forcing Data From Three‐Dimensional Constrained Variational Analysis for the ARM SGP Site

Here, this study presents a long‐term three‐dimensional large‐scale forcing data set (VARANAL3D) derived from the three‐dimensional constrained variational analysis (3DCVA) method at the Atmospheric Radiation Measurement (ARM) program Southern Great Plains (SGP) site from 2004 to 2018. Building on the same input data sets as the conventional continuous forcing data set (VARANAL), VARANAL3D maintains overall consistency in domain‐averaged fields while introducing spatial variability, offering critical insights into the influence of mesoscale synoptic systems on cloud‐related processes. Evaluations are conducted across four cloud and precipitation regimes: Clear‐sky, Shallow‐clouds, Afternoon‐precipitation, and Nocturnal‐precipitation, presenting high consistency of the domain‐mean forcing data sets while emphasizing the role of subdomain forcing variability particularly in precipitating regimes. Single column model (SCM) simulations demonstrate that subdomain VARANAL3D forcing improves cloud and precipitation representation, with the ensemble outperforming domain‐mean forcing in three cloudy and precipitating regimes. Overall, these results highlight VARANAL3D's value for investigating the impacts of spatial variability of large‐scale forcing on atmospheric processes. The VARANAL3D data set provides new opportunities for evaluating model physics, advancing the development of scale‐aware parameterizations and deepening our understanding of cloud and precipitation dynamics.

Environmental sciences↗

DOE OSTI2023

Novel 3D Force Sensors for a Cost-Effective 3D Force Plate for Biomechanical Analysis

Three-dimensional force plates are important tools for biomechanics discovery and sports performance practice. However, currently, available 3D force plates lack portability and are often cost-prohibitive. To address this, a recently discovered 3D force sensor technology was used in the fabrication of a prototype force plate. Thirteen participants performed bodyweight and weighted lunges and squats on the prototype force plate and a standard 3D force plate positioned in series to compare forces measured by both force plates and validate the technology. For the lunges, there was excellent agreement between the experimental force plate and the standard force plate in the X-, Y-, and Z-axes (r = 0.950–0.999, p < 0.001). For the squats, there was excellent agreement between the force plates in the Z-axis (r = 0.996, p < 0.001). Across axes and movements, root mean square error (RMSE) ranged from 1.17% to 5.36% between force plates. Although the current prototype force plate is limited in sampling rate, the low RMSEs and extremely high agreement in peak forces provide confidence the novel force sensors have utility in constructing cost-effective and versatile use-case 3D force plates.

42 ENGINEERING↗

DOE OSTI2021

Drying model of a high salt content cementitious waste form: Effect of capillary forces and salt solution

Highlights: • Drying model for a high salt content cementitious waste form is developed. • Water vapor diffusion and capillary liquid flow are distinguished. • Capillary and salt solution effects are considered in vapor-liquid equilibrium. A water transport model coupling capillary liquid flow with vapor diffusion is developed to describe the drying process for a cementitious waste form with high salinity porewater. Vapor-liquid equilibrium is formulated as the driving force for vapor diffusion and the model accounts for pore capillary and high salinity effects on water thermodynamic activity. Pore filling and porewater surface tension as a function of pore size distribution and water saturation have been quantified for the material. Geochemical speciation modeling is used to simulate porewater activity as a function of composition over the range of saturation. The theoretical relationship between relative humidity and water saturation generally agrees with experimental measurement, and the developed model is capable of predicting drying rates under various external relative humidity conditions. The model was developed to be incorporated into reactive transport models considering the effects of drying such as salt redistribution and efflorescence.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Shear Stress Dependence of Force Networks in 3D Dense Suspensions

The geometric organization and force networks of 3D dense suspensions that exhibit both shear thinning and thickening have been examined as a function of varying strength of interparticle attractive interactions using lubrication flow discrete element simulations. Significant rearrangement of the geometric topology does not occur at either the local or global scale as these systems transition across the shear thinning and shear thickening regimes. In contrast massive rearrangements in the balance of attractive, lubrication, and contact forces are observed with interesting behavior of network growth and competition. In agreement with prior work, in shear thinning regions the attractive force is dominant, however as the shear thickening region is approached there is growth of lubrication forces. Lubrication forces oppose the attraction forces, but as viscosity continues to increase under increasing shear stress, the lubrication forces are dominated by contact forces that also resist attraction. Contact forces are the dominant interactions during shear thickening and are an order of magnitude higher than their values in the shear-thinning regime. At high attractive interaction strength, contact networks can form even under shear thinning conditions, however high shear stress is still required before contact networks become the driving mechanism of shear thickening. Analysis of the contact force network during shear thickening generally indicate a uniformly spreading network that rapidly forms across empty domains, however the growth patterns have structure that are significantly dependent upon the strength of interparticle interactions, indicating subtle variations in the mechanism of shear thickening.

Edens, Lance E.↗

NASA NTRS1998

Gravitoinertial force background level affects adaptation to coriolis force perturbations of reaching movements

We evaluated the combined effects on reaching movements of the transient, movement-dependent Coriolis forces and the static centrifugal forces generated in a rotating environment. Specifically, we assessed the effects of comparable Coriolis force perturbations in different static force backgrounds. Two groups of subjects made reaching movements toward a just-extinguished visual target before rotation began, during 10 rpm counterclockwise rotation, and after rotation ceased. One group was seated on the axis of rotation, the other 2.23 m away. The resultant of gravity and centrifugal force on the hand was 1.0 g for the on-center group during 10 rpm rotation, and 1.031 g for the off-center group because of the 0.25 g centrifugal force present. For both groups, rightward Coriolis forces, approximately 0.2 g peak, were generated during voluntary arm movements. The endpoints and paths of the initial per-rotation movements were deviated rightward for both groups by comparable amounts. Within 10 subsequent reaches, the on-center group regained baseline accuracy and straight-line paths; however, even after 40 movements the off-center group had not resumed baseline endpoint accuracy. Mirror-image aftereffects occurred when rotation stopped. These findings demonstrate that manual control is disrupted by transient Coriolis force perturbations and that adaptation can occur even in the absence of visual feedback. An increase, even a small one, in background force level above normal gravity does not affect the size of the reaching errors induced by Coriolis forces nor does it affect the rate of reacquiring straight reaching paths; however, it does hinder restoration of reaching accuracy.

NASA Discipline Neuroscience↗

NASA NTRS1991

Force decomposition in robot force control

The unit inconsistency in force decomposition has motivated an investigation into the force control problem in multiple-arm manipulation. Based on physical considerations, it is argued that the force that should be controlled is the internal force at the specified frame in the payload. This force contains contributions due to both applied forces from the arms and the inertial force from the payload and the arms. A least-squares scheme free of unit inconsistency for finding this internal force is presented. The force control issue is analyzed, and an integral force feedback controller is proposed.

Murphy, Steve H.↗

NASA NTRS1999

Sensitivity of Force Specifications to the Errors in Measuring the Interface Force

Force-Limited Random Vibration Testing has been applied in the last several years at NASA/GSFC for various programs at the instrument and system level. Different techniques have been developed over the last few decades to estimate the dynamic forces that the test article under consideration will encounter in the operational environment. Some of these techniques are described in the handbook, NASA-HDBK-7004, and the monograph, NASA-RP-1403. A key element in the ability to perform force-limited testing is multi-component force gauges. This paper will show how some measurement and calibration errors in force gauges are compensated for w en tie force specification is calculated. The resulting notches in the acceleration spectrum, when a random vibration test is performed, are the same as the notches produced during an uncompensated test that has no measurement errors. The paper will also present the results of tests that were used to validate this compensation. Knowing that the force specification can compensate for some measurement errors allows tests to continue after force gauge failures or allows dummy gauges to be used in places that are inaccessible.

Worth, Daniel↗

NASA NTRS1993

Decomposition of superimposed ground reaction forces into left and right force profiles

The process of collecting ground reaction force data by mounting a forceplate beneath a treadmill belt has the advantage that numerous walking trials can be analyzed without the problem of subjects 'targeting' their footsteps. However, a potential problem is that the measured forces represent a summation of bilateral force profiles during the double support phase of walking. To address this issue, an algorithm is described for decomposing superimposed ground reaction force data into individual left and right profiles. It is based on an examination of the side-to-side oscillations of the measured center of pressure (CoP). Whenever the measured CoP exceeds a certain threshold, it is assumed that the person is being supported by a single limb, and the measured GRF data reflect the forces under that limb. Conversely, when the measured CoP indicates that both feet are on the treadmill, it is assumed that the location of the individual CoP under each foot is given by wL2 and wR2. These quantities reflect the greatest excursion of the measured CoP towards the left and right sides of the forceplate, respectively. With this assumption, individual GRF profiles can be calculated by means of solving two simultaneous equations--one describing the equilibrium of forces in the vertical direction, and one describing the equilibrium of moments about an antero-posterior axis of the forceplate. The algorithm describing this procedure is simple enough to be implemented on a spreadsheet and yields estimates for average force, impulse, peak force and stance time that are typically within 3% of the true values.

Non-NASA Center↗

DOE OSTI2022

Viscoelastic-Mapping of Cellulose Nanofibrils Using Low-Total-Force Contact Resonance Force Microscopy (LTF-CRFM)

Low-total-force contact resonance force microscopy (LTF-CRFM), an atomic force microscopy method, is introduced as a non-destructive means to quantify the local viscoelastic loss tangent (tan..delta..) of supported cellulose nanofibrils (CNFs). The method limits static and dynamic forces during measurement to minimize substrate and geometry effects and to reduce the potential for stress-induced CNF damage. LTF-CRFM uses Brownian motion to achieve the thermally-limited lowest dynamic force, while approaching adhesive pull-off to achieve the low static force. LTF-CRFM measurements were shown to generate analyzable data without evidence of nonlinear artifacts and without damage to the CNF over static forces ranging from 11.6 to 84.6 nN. The measured tan..delta.. of CNFs was 0.015 +/- 0.0094, which is the first reported tan..delta.. measurement of an isolated CNF. Finally, LTF-CRFM successfully mapped tan..delta.. along the length of CNFs to determine that kink defects along the CNF do not impart a local viscoelastic property change at the spatial resolution of the measurement.

BIOMASS FUELS↗

DOE OSTI2021

The Response of Precipitation Extremes to the Twentieth- and Twenty-First-Century Global Temperature Change in a Comprehensive Suite of CESM1 Large Ensemble Simulation: Revisiting the Role of Forcing Agents Vs. the Role of Forcing Magnitudes

The response of precipitation extremes (PEs) to global warming is found to be nonlinear in Community Earth System Model version 1 (CESM1) and other global climate models (Pendergrass et al., 2019), which led to the concern that it is not accurate to approximate the response of PE to a single forcing as the difference between simulations with all forcing agents and those that exclude one specific forcing. This calls into question previous model-based results that the sensitivity of PE with warming due to aerosol forcing is significantly larger than that due to greenhouse gases (GHGs). We reevaluate the PE sensitivity to GHGs and aerosols using available CESM1 ensemble simulations. We show that although the PE response to warming is nonlinear in CESM1, especially for the high warming projected in the twenty-first-century, PE sensitivity to aerosols is still significantly stronger than that due to GHGs when the comparison is made within similar warming regimes to avoid the bias induced by the nonlinear behavior. But the difference is smaller than previously estimated. We also conclude that the additivity assumption is largely valid to isolate the PE response due to aerosol forcing from the paired simulations including the “all forcing” experiment when the warming regime is small (e.g., 1°C–2°C in the next few decades when aerosol forcing is projected to decline and becomes a major source of uncertainty for model projection).

58 GEOSCIENCES↗

NASA NTRS1991

Comparison of force and tactile feedback for grasp force control in telemanipulation

The comparative efficacy of using direct force feedback or a simple vibrotactile display to convey changes in the intensity of remote grasp force relayed from a robotic end effector is examined. The findings show that a simple vibrotactile cue, in the absence of direct force feedback, is effective in signaling abrupt changes in remote grasp force regardless of magnitude, and when changes in force are not too slow or protracted in nature (i.e., ramp time less than 2 s). In cases where the operator must dynamically tract and respond to slow but large variations in grasp force, the comparatively crude vibrotactile display would prove helpful; but would not be as effective as that of a direct contact force display. Immediate applications and utility of current generation and near-term prototype tactile displays are discussed.

Wiker, Steven F.↗

DOE OSTI2020

INTEGRATION OF FLEX EQUIPMENT AND OPERATOR ACTIONS IN PLANT FORCE-ON-FORCE MODELS WITH DYNAMIC RISK ASSESSMENT

The overall operation and maintenance cost to protect nuclear power plants accounts for approximately 7% of the total cost of power generation, with labor accounting for half of this cost. In the current research, from interaction with utilities and other stakeholders, it was determined that physical security forces account for nearly 20% of the entire workforce at several nuclear power plants. Labor costs continue to rise in the U.S., so any measures to reduce the cost of operating a nuclear power plant will need to include a reduction in labor. The physical security pathway within the DOE’s Light Water Reactor Sustainability program aims to lower the cost of physical security through directed research into modeling and simulation, application of advanced sensors or deployment of advanced weapons. This report presents a modeling and simulation framework for integrating Diverse and Flexible Mitigation Capability (FLEX) portable equipment performance with Force on Force models of a plant’s physical security posture. The generic framework is described in detail, followed by a case study of modeling an adversarial attack aimed at causing a radiological release by sabotaging the plant’s power supply and its ultimate heat sink capabilities at a hypothetical nuclear power plant. Two different FLEX deployment strategies, series and parallel, are modeled with distinct timelines. The results of the adversarial attack modeled in a commercial Force on Force tool are integrated with the FLEX deployment model in INL’s dynamic modeling tool EMRALD. Monte Carlo simulation is used to model the distribution of the timeline in FLEX deployment strategies. The results demonstrate that, even in the extreme case of a successful adversarial attack, deployment of FLEX equipment can result in a significantly high likelihood of preventing radiological release. The modeling and simulation framework integrating FLEX equipment with Force on Force models enables the nuclear power plants to credit FLEX portable equipment in the plant security posture, resulting in an efficient and optimized physical security.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Gridded Sub-daily Climate Forcings for North America Based on Daymet and ERA5 (Daymet-ERA5)

To support high spatial and temporal resolution land surface modeling, this dataset provides hourly time step historic weather forcing at 1-km spatial resolution for the entire North America. The latest Daymet V4 data provides gridded historic daily weather observations at 1-km spatial resolution from 1980 to 2024. Using sub-daily temporal information from the ECMWF ERA5 reanalysis, Daymet was further temporally downscaled to hourly time steps and provided in the format required for land surface model simulations. The process of temporal downscaling preserves the relative magnitude in each hourly time step from ERA5 while maintaining the total and average values from Daymet for each day. This results in a blended 1980-2024 Daymet-ERA5 dataset. Available variables include surface air temperature, precipitation, specific humidity, shortwave and longwave radiation, wind speed, and pressure. These data can be used as a high-resolution meteorological forcing dataset to support high-resolution land surface modeling where accurate meteorological forcing datasets built from historic observations and/or reanalysis datasets are desirable.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Linear Response Function Reveals the Most Effective Remote Forcing in Causing September Arctic Sea Ice Melting in CESM

We apply the linear response function method to investigate the most excitable mode of the September Arctic sea ice and its corresponding remote oceanic forcing in climate models. The method is useful in identifying the fundamental, dynamical and causal relationship between the remote forcing and sea ice response. We find that the most excitable mode of the September Arctic sea ice preferentially takes place over the Pacic side of the Arctic and its remote forcing corresponds to a dipole pattern of precipitation anomaly in the tropics with an increase of precipitation over the western and central tropical and subtropical Pacic ocean while a decrease over the Maritime Continent. The tropical precipitation anomaly likely drives a Rossby wave train propagating toward higher latitudes and leads to a ridge anomaly over the Pacic side of the Arctic, resulting in poleward atmospheric heat transport, enhanced downward longwave radiation and thus melting of the sea ice. In addition, a good agreement is found with the leading tropical Arctic teleconnection mode detected in a pre-industrial control simulation, which supports the usefulness and robustness of the linear response function method and the importance of tropical forcing in shaping the sea ice variability.

Wu, Yutian↗

NASA NTRS1998

Recent Advances in the Method of Forces: Integrated Force Method of Structural Analysis

Stress that can be induced in an elastic continuum can be determined directly through the simultaneous application of the equilibrium equations and the compatibility conditions. In the literature, this direct stress formulation is referred to as the integrated force method. This method, which uses forces as the primary unknowns, complements the popular equilibrium-based stiffness method, which considers displacements as the unknowns. The integrated force method produces accurate stress, displacement, and frequency results even for modest finite element models. This version of the force method should be developed as an alternative to the stiffness method because the latter method, which has been researched for the past several decades, may have entered its developmental plateau. Stress plays a primary role in the development of aerospace and other products, and its analysis is difficult. Therefore, it is advisable to use both methods to calculate stress and eliminate errors through comparison. This paper examines the role of the integrated force method in analysis, animation and design.

Patnaik, Surya N.↗

NASA NTRS1998

Recent Advances in the Method of Forces: Integrated Force Method of Structural Analysis

Patnaik, Surya N.↗

NASA NTRS2000

Sensitivity of Force Specifications to the Errors in Measuring the Interface Force

Force-Limited Random Vibration Testing has been applied in the last several years at the NASA Goddard Space Flight Center (GSFC) and other NASA centers for various programs at the instrument and spacecraft level. Different techniques have been developed over the last few decades to estimate the dynamic forces that the test article under consideration will encounter in the flight environment. Some of these techniques are described in the handbook, NASA-HDBK-7004, and the monograph, NASA-RP-1403. This paper will show the effects of some measurement and calibration errors in force gauges. In some cases, the notches in the acceleration spectrum when a random vibration test is performed with measurement errors are the same as the notches produced during a test that has no measurement errors. The paper will also present the results Of tests that were used to validate this effect. Knowing the effect of measurement errors can allow tests to continue after force gauge failures or allow dummy gauges to be used in places that are inaccessible to a force gage.

Worth, Daniel↗