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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 343 records · Page 19

First-Principles-Based Machine Learning Models for Phase Behavior and Transport Properties of CO 2

In this work, we construct distinct first-principles-based machine-learning models of CO 2 , reproducing the potential energy surface of the PBE-D3, BLYP-D3, SCAN and SCAN-rvv10 approximations of density functional theory. Here we employ the Deep Potential methodology to develop the models and consequently achieve a significant computational efficiency over ab initio molecular dynamics (AIMD) that allows for larger system sizes and time scales to be explored. Although our models are trained only with liquid phase configurations, they are able to simulate a stable interfacial system and predict vapor-liquid equilibrium properties, in good agreement with results from the literature. Because of the computational efficiency of the models, we are also able to obtain transport properties, such as viscosity and diffusion coefficients. We find that the SCAN-based model presents a temperature shift in the position of the critical point, while the SCAN-rvv10-based model shows improvement but still exhibits a temperature shift that remains approximately constant for all properties investigated in this work. We find that the BLYP-D3-based model generally performs better for liquid phase and vapor-liquid equilibrium properties, but the PBE-D3-based model is better suited for predicting transport properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A control theoretic model of driver steering behavior

A quantitative description of driver steering behavior such as a mathematical model is presented. The steering task is divided into two levels: (1) the guidance level involving the perception of the instantaneous and future course of the forcing function provided by the forward view of the road, and the response to it in an anticipatory open-loop control mode; (2) the stabilization level whereby any occuring deviations from the forcing function are compensated for in a closed-loop control mode. This concept of the duality of the driver's steering activity led to a newly developed two-level model of driver steering behavior. Its parameters are identified on the basis of data measured in driving simulator experiments. The parameter estimates of both levels of the model show significant dependence on the experimental situation which can be characterized by variables such as vehicle speed and desired path curvature.

Donges, E.↗

Goal Directed Model Inversion: A Study of Dynamic Behavior

Goal Directed Model Inversion (GDMI) is an algorithm designed to generalize supervised learning to the case where target outputs are not available to the learning system. The output of the learning system becomes the input to some external device or transformation, and only the output of this device or transformation can be compared to a desired target. The fundamental driving mechanism of GDMI is to learn from success. Given that a wrong outcome is achieved, one notes that the action that produced that outcome 0 "would have been right if the outcome had been the desired one." The algorithm then proceeds as follows: (1) store the action that produced the wrong outcome as a "target" (2) redefine the wrong outcome as a desired goal (3) submit the new desired goal to the system (4) compare the new action with the target action and modify the system by using a suitable algorithm for credit assignment (Back propagation in our example) (5) resubmit the original goal. Prior publications by our group in this area focused on demonstrating empirical results based on the inverse kinematic problem for a simulated robotic arm. In this paper we apply the inversion process to much simpler analytic functions in order to elucidate the dynamic behavior of the system and to determine the sensitivity of the learning process to various parameters. This understanding will be necessary for the acceptance of GDMI as a practical tool.

Colombano, Silvano P.↗

Composite Panel Postbuckling Behavior and General Model of Joints in Composite Structures

The present paper is a final technical report on the research programme NCCW-73 accomplished within co-operation between NASA of the USA and GOSKOMOBORONPROM of Russia in the field of aeronautics. The report contains basic results of studies in two areas, 'Analysis of postbuckling behavior of composite panels' and 'Development of general model of joints in composite structures'; these results were obtained in conformity with requirements of NCCW-73. In addition, consideration is given to some related issues, and proposals for further studies are formulated.

Zamula, G. N.↗

Combined discrete network. Continuous control modelling of operator behavior

The situation in which an operator is faced with a continuous control task plus one or more discrete information processing tasks is discussed. A modelling approach which has the capability of realistically representing both types of tasks and the resulting interactions is sought. The modelling approach utilizes discrete network models for the cognitive tasks and elements of an open-loop - closed-loop control representation for the continuous task. the approach is demonstrated through its application to a simulated Digital Avionics Information System in which subjects were required to perform retrieval and processing tasks as well as flight control. This model differs from conventional model in that system status sampling is not necessarily continuous or periodic. Rather, the pilot is assumed to read system status displays only as time permits and operate in a so-called open-loop preprogrammed fashion between sampling.

Miller, R. A.↗

International Space Station Human Behavior and Performance Competency Model: Volume I

This document defines Human Behavior and Performance (HBP) competencies that are recommended to be included as requirements to participate in international long duration missions. They were developed in response to the Multilateral Crew Operations Panel (MMOP) request to develop HBP training requirements for the International Space Station (ISS). The competency model presented here was developed by the ITCB HBPT WG and forms the basis for determining the HBP training curriculum for long duration crewmembers. This document lists specific HBP competencies and behaviors required of astronauts/cosmonauts who participate in ISS expedition and other international longduration missions. Please note that this model does not encompass all competencies required. For example, outside the scope of this document are cognitive skills and abilities, including but not limited to concentration, memorization, perception, imagination, and thinking. It is assumed that these skills, which are crucial in terms of human behavior and performance, are considered during selection phase since such professionally significant qualities of the operator should be taken into consideration in order to ensure sufficient baseline levels that can be further improved during general astronaut training. Also, technical competencies, even though critical for crewmembers, are beyond the scope of this document. It should also be noted that the competencies in this model (and subsequent objectives) are not intended to limit the internal activities or training programs of any international partner.

Schmidt, Lacey↗

A level-of-details framework for representing occupant behavior in agent-based models

We report agent-based modeling is an advanced computational technique capable of representing complex and dynamic processes of human behavior in building performance simulation. Though the agent-based approach supports diverse applications concerning human behavior modeling within the built environment, there is no consensus on the optimal amount of information or level of granularity needed for occupant information representation. This paper attempts to formalize the level of details (LoD) needed for occupant behavior representation in agent-based environments. A novel framework, grounded on the concept of LoD, is proposed to select the required details in representing occupants in agent-based models. Ten attributes related to occupants' presence, movement, behavioral processes, and repertoire are considered to define the LoD. The framework identifies use case parameters as the guiding principle and allows a hybrid approach for selecting varying degrees of occupant attributes to serve the purpose of simulation. A discussion on the pertinence of different occupant behavior LoDs in relation to the desired objective and simulation context is also presented. The study intends to support the occupant behavior research by advancing agent-based occupant modeling in building performance simulation.

42 ENGINEERING↗

Characterizing and modeling the mechanical behavior of an anion exchange membrane for carbon capture applications

A new direct air capture (DAC) technology uses a moisture swing (MS) process with anion exchange membranes, potentially offering a more energy-efficient way to remove CO₂ from the air. In this MS process, the membrane absorbs CO₂ as it dries and releases it when water is added. Understanding the mechanical behavior of these membranes is essential for improving the design and efficiency of DAC systems and prolonging sorbent lifetime. This study tested one anion exchange membrane, Fumasep’s FAA-3, under mechanical loading and various temperature and humidity conditions to measure its swelling, stiffness, strength, plastic deformation, and stress relaxation. Experimental results were used to identify a mechanical model for FAA-3 that can be used to predict the material’s nonlinear viscous behavior under various loads and environments. Unlike prior studies that assumed linear elastic behavior, this work incorporates humidity-dependent swelling, thermal expansion, and nonlinear viscoelasticity of FAA-3 in both the experiments and the model.

Direct air capture↗

Macro-scale Testing and Micromechanics Modeling of Fracture Behaviors for Boron Carbide Composites with Hierarchical Microstructures

With a unique combination of properties including high hardness, low density, wear and corrosion resistance, thermal stability, high neutron absorption, and semi-conductivity, boron carbide (B4C) is a candidate material for various engineering applications that involve extreme environment. The current applications of boron carbide, however, are limited by its intrinsic brittleness due to its strong covalent bonding. To toughen boron carbide, in this work hierarchical microstructure designs was used to provide multiple toughening mechanisms including crack deflection/bridging, micro-crack toughening, etc. Using field assisted sintering, B4C composites with hierarchical microstructure features including graphite platelets, micron and sub-micron sized TiB2 reinforcements were fabricated. The fracture toughness of fabricated B4C composites were previously measured at micro-scale using micro-indentation followed by post-testing microstructure inspection. However, questions including whether the fracture toughness enhancement measured at micro-scale can translate to macro-scale mechanical properties, and what are the fundamental mechanisms behind observed fracture toughness enhancement, remain to be answered. In this study, the fabricated B4C composites were tested using standardized four-point bending method to obtain fracture toughness at macro-scale. In addition, micromechanics modeling was conducted using MAC/GMC code and crack-band model to study the effect of residual stress and weak interphases on fracture behaviors of B4C composites reinforced with TiB2 particles. Through standardized four-point bending tests, fracture toughness enhancements up to 2.85, 3.32, and 3.65 MPa∙m(exp 1/2) (from 2.38 MPa∙m(exp 1/2)) were achieved for B4C composites with graphite platelets addition (micro/nano B4C), with TiB2 formation (micro B4C-TiB2), and with both graphite and TiB2 addition (micro/nano B4C-TiB2) respectively. Micromechanics modeling indicated that introduction of thermal residual stress and weak interphases caused enhanced micro-cracking behavior and resulted in the observed fracture toughness enhancement. These results furthered understanding about the mechanical behaviors at macro-scale and the mechanisms behind observed fracture toughness enhancement for B4C composites with hierarchical microstructures and can provide reference data for the future design of B4C composites with optimized microstructures for further fracture toughness enhancement.

Boron Carbide↗

Modeling structural dynamic behavior of SSME components

FEM studies are presented of the nozzle and the low-pressure fuel-pump inducer designs for the Space Shuttle Main Engine (SSME) to analyze the effects of structural vibrations. FEM preprocessing software based on a CAD system is employed to develop a model of the component's sophisticated geometry. The nozzle geometry is also defined by means of the preprocessing technique and subsequently analyzed with respect to time-transient loading. The analysis is conducted with a Cray supercomputer using the SPAR/EAL FEM program. The investigation of the nozzle demonstrates the advantageous use of symmetry in the determination of nozzle response to SSME start-up transients. Plots of time vs strain are developed for gages on the nozzle wall and steerhorn tubing. The results of the inducer modeling are found to be adequate for investigating the component's principle modes, and the nozzle results indicate the suitability of the FEM techniques for optimizing the design of engine components.

Kiefling, Larry A.↗

Probabilistic Multi-Factor Interaction Model for Complex Material Behavior

The Multi-Factor Interaction Model (MFIM) is used to evaluate the divot weight (foam weight ejected) from the launch external tanks. The multi-factor has sufficient degrees of freedom to evaluate a large number of factors that may contribute to the divot ejection. It also accommodates all interactions by its product form. Each factor has an exponent that satisfies only two points, the initial and final points. The exponent describes a monotonic path from the initial condition to the final. The exponent values are selected so that the described path makes sense in the absence of experimental data. In the present investigation the data used was obtained by testing simulated specimens in launching conditions. Results show that the MFIM is an effective method of describing the divot weight ejected under the conditions investigated.

Chamis, Christos C.↗

Probabilistic Multi-Factor Interaction Model for Complex Material Behavior

The Multi-Factor Interaction Model (MFIM) is used to evaluate the divot weight (foam weight ejected) from the launch external tanks. The multi-factor has sufficient degrees of freedom to evaluate a large number of factors that may contribute to the divot ejection. It also accommodates all interactions by its product form. Each factor has an exponent that satisfies only two points the initial and final points. The exponent describes a monotonic path from the initial condition to the final. The exponent values are selected so that the described path makes sense in the absence of experimental data. In the present investigation, the data used was obtained by testing simulated specimens in launching conditions. Results show that the MFIM is an effective method of describing the divot weight ejected under the conditions investigated.

Chamis, Christos C.↗

A Unique Computational Algorithm to Simulate Probabilistic Multi-Factor Interaction Model Complex Material Point Behavior

The Multi-Factor Interaction Model (MFIM) is used to evaluate the divot weight (foam weight ejected) from the launch external tanks. The multi-factor has sufficient degrees of freedom to evaluate a large number of factors that may contribute to the divot ejection. It also accommodates all interactions by its product form. Each factor has an exponent that satisfies only two points--the initial and final points. The exponent describes a monotonic path from the initial condition to the final. The exponent values are selected so that the described path makes sense in the absence of experimental data. In the present investigation, the data used was obtained by testing simulated specimens in launching conditions. Results show that the MFIM is an effective method of describing the divot weight ejected under the conditions investigated.

Chamis, Christos C.↗

A decision model applied to alcohol effects on driver signal light behavior

A decision model including perceptual noise or inconsistency is developed from expected value theory to explain driver stop and go decisions at signaled intersections. The model is applied to behavior in a car simulation and instrumented vehicle. Objective and subjective changes in driver decision making were measured with changes in blood alcohol concentration (BAC). Treatment levels averaged 0.00, 0.10 and 0.14 BAC for a total of 26 male subjects. Data were taken for drivers approaching signal lights at three timing configurations. The correlation between model predictions and behavior was highly significant. In contrast to previous research, analysis indicates that increased BAC results in increased perceptual inconsistency, which is the primary cause of increased risk taking at low probability of success signal lights.

Schwartz, S. H.↗

Understanding Contaminant Migration within a Dynamic River Corridor through Field Experiments and Reactive Transport Modeling

The behavior of a persistent uranium plume within an extended river corridor at the DOE Hanford site is dominantly controlled by river stage fluctuations in the adjacent Columbia River. The plume behavior is further complicated by substantial heterogeneity in physical and geochemical properties of the host aquifer sediments. Multi-scale field and laboratory experiments and reactive transport modeling were integrated to understand the complex plume behavior influenced by highly variable hydrologic and geochemical conditions in time and space. In this paper, we (1) describe multiple data sets from field-scale uranium adsorption and desorption experiments performed at our experimental well-field, (2) develop a reactive transport model that incorporates hydrologic and geochemical heterogeneities characterized from multi-scale and multi-type datasets and a surface complexation reaction network based on laboratory studies, and (3) compare the modeling and observation results to provide insights on how to refine the conceptual model and reduce prediction uncertainties. The experimental results revealed significant spatial variability in uranium adsorption/desorption behavior, while modeling demonstrated that ambient hydrologic and geochemical conditions and heterogeneities in sediment physical and chemical properties both contributed to complex plume behavior and its persistence. This research underscores the great challenges in adequately characterizing this type of site to model the reactive transport processes over scales of 10 m or more. Our analysis provides important insights into the characterization, understanding, modeling, and remediation of groundwater contaminant plumes influenced by dynamic surface water and groundwater interactions.

Chen, Xingyuan↗

MSC products for the simulation of tire behavior

The modeling of tires and the simulation of tire behavior are complex problems. The MacNeal-Schwendler Corporation (MSC) has a number of finite element analysis products that can be used to address the complexities of tire modeling and simulation. While there are many similarities between the products, each product has a number of capabilities that uniquely enable it to be used for a specific aspect of tire behavior. This paper discusses the following programs: (1) MSC/NASTRAN - general purpose finite element program for linear and nonlinear static and dynamic analysis; (2) MSC/ADAQUS - nonlinear statics and dynamics finite element program; (3) MSC/PATRAN AFEA (Advanced Finite Element Analysis) - general purpose finite element program with a subset of linear and nonlinear static and dynamic analysis capabilities with an integrated version of MSC/PATRAN for pre- and post-processing; and (4) MSC/DYTRAN - nonlinear explicit transient dynamics finite element program.

Muskivitch, John C.↗