Results for “Model Predictive Control” — Page 97

NASA NTRS1988

An integrated and modular digital modeling approach for the Space Station electrical power system development

An electrical power system for the Space Station was designed, developed and built. This system provides for electrical power generation, conditioning, storage, and distribution. The initial configuration uses photovoltaic power generation. The power system control is based on a hierarchical architecture to support the requirements of automation. In the preliminary design and technology development phase of the program, various modeling techniques and software tools were evaluated for the purpose of meeting the Space Station power system modeling requirements. Rocketdyne and LeRC jointly selected the EASY5 simulation software, developed by Boeing Computer Services, as a system level modeling tool. The application of the selected analytical modeling approach to represent the entire power system is described. Typical results of model predictions are also summarized. The equipment modeled includes solar arrays, dc to ac converters, resonant inverters, battery storage system, alternator, transmission line, switch gear, and system level microprocessor controls. During the advanced development phase of this program, several models were developed using this approach.

Gombos, Frank J.↗

NASA NTRS2000

Exploratory Studies in Generalized Predictive Control for Active Aeroelastic Control of Tiltrotor Aircraft

The Aeroelasticity Branch at NASA Langley Research Center has a long and substantive history of tiltrotor aeroelastic research. That research has included a broad range of experimental investigations in the Langley Transonic Dynamics Tunnel (TDT) using a variety of scale models and the development of essential analyses. Since 1994, the tiltrotor research program has been using a 1/5-scale, semispan aeroelastic model of the V-22 designed and built by Bell Helicopter Textron Inc. (BHTI) in 1981. That model has been refurbished to form a tiltrotor research testbed called the Wing and Rotor Aeroelastic Test System (WRATS) for use in the TDT. In collaboration with BHTI, studies under the current tiltrotor research program are focused on aeroelastic technology areas having the potential for enhancing the commercial and military viability of tiltrotor aircraft. Among the areas being addressed, considerable emphasis is being directed to the evaluation of modern adaptive multi-input multi- output (MIMO) control techniques for active stability augmentation and vibration control of tiltrotor aircraft. As part of this investigation, a predictive control technique known as Generalized Predictive Control (GPC) is being studied to assess its potential for actively controlling the swashplate of tiltrotor aircraft to enhance aeroelastic stability in both helicopter and airplane modes of flight. This paper summarizes the exploratory numerical and experimental studies that were conducted as part of that investigation.

Kvaternik, Raymond G.↗

NASA NTRS2004

Probabilistic Residual Strength Model Developed for Life Prediction of Ceramic Matrix Composites

For the next generation of reusable launch vehicles, NASA is investigating introducing ceramic matrix composites (CMCs) in place of current superalloys for structural propulsion applications (e.g., nozzles, vanes, combustors, and heat exchangers). The higher use temperatures of CMCs will reduce vehicle weight by eliminating and/or reducing cooling system requirements. The increased strength-to-weight ratio of CMCs relative to superalloys further enhances their weight savings potential. However, in order to provide safe designs for components made of these new materials, a comprehensive life prediction methodology for CMC structures needs to be developed. A robust methodology for lifing composite structures has yet to be adopted by the engineering community. Current industry design practice continues to utilize deterministic empirically based models borrowed from metals design for predicting material life capabilities. The deterministic nature of these models inadequately addresses the stochastic character of brittle composites, and their empirical reliance makes predictions beyond the experimental test conditions a risky extrapolation. A team of engineers at the NASA Glenn Research Center has been developing a new life prediction engineering model. The Probabilistic Residual Strength (PRS) model uses the residual strength of the composite as its damage metric. Expected life and material strength are both considered probabilistically to account for the observed stochastic material response. Extensive experimental testing has been carried out on C/SiC (a candidate aerospace CMC material system) in a controlled 1000 ppm O2/argon environment at elevated temperatures of 800 and 1200 C. The test matrix was established to allow observation of the material behavior, characterization of the model, and validation of the model's predictive capabilities. Sample results of the validation study are illustrated in the graphs.

Thomas, David J.↗

DOE OSTI2025

Improving the prediction of daily reservoir releases over the CONUS using conditioned LSTM

Reservoirs play a vital role in regulating streamflow timing and variability for hydroelectricity, flood control, water supply, irrigation, and recreation. Despite their importance, many reservoirs lack comprehensive operational guidelines, making their management complex due to conflicting operational objectives. Hence traditional policy-based reservoir models often fail to capture real-world conditions accurately and they depend on perfect streamflow predictions, which are not always available. In contrast, data-driven models like Long Short-Term Memory (LSTM) networks offer a robust alternative. This study introduces an approach that integrates reservoir characteristics—such as main use, climate, and maximum capacity—into the LSTM model to enhance reservoir release predictions. Using data from nearly 200 reservoirs in the contiguous United States (CONUS), our conditioned LSTM model (LSTM_cond) was compared with both the vanila LSTM and a traditional policy-based approach. Furthermore, our results show that while both LSTM_cond and LSTM perfoms better than the policy-based approach, LSTM_cond consistently outperforms LSTM for hydroelectric, water supply, irrigation, and recreation reservoirs. The KGE median values for LSTM_cond for out-sample reservoirs are 0.764, 0.565, 0.821, and 0.779, respectively, for the aforementioned reservoir types, which are consistently higher that the corresponding KGE values of 0.737, 0.413, 0.775, and 0.713 of LSTM, demonstrating its advantages in improving generalizability.

CONUS↗

NASA NTRS2001

Challenges Facing Design and Analysis Tools

The design and analysis of future aerospace systems will strongly rely on advanced engineering analysis tools used in combination with risk mitigation procedures. The implications of such a trend place increased demands on these tools to assess off-nominal conditions, residual strength, damage propagation, and extreme loading conditions in order to understand and quantify these effects as they affect mission success. Advances in computer hardware such as CPU processing speed, memory, secondary storage, and visualization provide significant resources for the engineer to exploit in engineering design. The challenges facing design and analysis tools fall into three primary areas. The first area involves mechanics needs such as constitutive modeling, contact and penetration simulation, crack growth prediction, damage initiation and progression prediction, transient dynamics and deployment simulations, and solution algorithms. The second area involves computational needs such as fast, robust solvers, adaptivity for model and solution strategies, control processes for concurrent, distributed computing for uncertainty assessments, and immersive technology. Traditional finite element codes still require fast direct solvers which when coupled to current CPU power enables new insight as a result of high-fidelity modeling. The third area involves decision making by the analyst. This area involves the integration and interrogation of vast amounts of information - some global in character while local details are critical and often drive the design. The proposed presentation will describe and illustrate these areas using composite structures, energy-absorbing structures, and inflatable space structures. While certain engineering approximations within the finite element model may be adequate for global response prediction, they generally are inadequate in a design setting or when local response prediction is critical. Pitfalls to be avoided and trends for emerging analysis tools will be described.

Knight, Norman F., Jr.↗

DOE OSTI2024

The role of excitation vector fields and all-polarisation state control in cavity magnonics

Recently the field of cavity magnonics, a field focused on controlling the interaction between magnons and photons confined within microwave resonators, has drawn significant attention as it offers a platform for enabling advancements in quantum- and spin-based technologies. Here, we introduce excitation vector fields, whose polarisation and profile can be easily tuned in a two-port cavity setup, thus acting as an effective experimental dial to explore the coupled dynamics of cavity magnon-polaritons. Moreover, we develop theoretical models that accurately predict and reproduce the experimental results for any polarisation state and field profile within the cavity resonator. This versatile experimental platform offers a new avenue for controlling spin-photon interactions by manipulating the polarisation of excitation fields. By introducing real-time tunable parameters that control the polarisation state, our experiment delivers a mechanism to readily control the exchange of information between hybrid systems.

condensed-matter physics↗

DOE OSTI2024

Rancor-HUNTER: A Virtual Plant and Operator Environment for Predicting Human Performance

Advances in simulation capabilities to model physical systems have outpaced the development of simulations for humans using those physical systems. There is an argument that the infinite span of potential human behaviors inherently render human modeling more challenging than physical systems. Despite this challenge, the need for modeling humans interacting with these complex systems is paramount. As technologies have improved, many of the failure modes originating from the physical systems have been solved. This means the overall proportion of human errors has increased, such that it is not uncommon to be the primary driver of system failure in modern complex systems. Moreover, technologies such as automated systems may introduce emerging contexts that can cause new, unanticipated modes of human error. Therefore, it is now more important than ever to develop models of human behavior to realize overall system error reductions and achieve established safety margins. To support new and novel concepts of operations for the anticipated wave of advanced nuclear reactor deployments, human factors and human reliability analysis researchers need to develop advanced simulation-based approaches. This talk presents a simulation environment suitable to both collect data and then perform Monte Carlo simulations to evaluate human performance and develop better models of human behavior. Specifically, the Rancor Microworld Simulator models a complex energy production system in a simplified manner. Rancor includes computer-based procedures, which serve as a framework to automatically classify human behaviors without manual, subjective experimenter coding during scenarios. This method supports a detailed level of analysis at the task level. It is feasible for collecting large sample sizes required to develop quantitative modelling elements that have historically challenged traditional full-scope simulator study approaches. Additionally, the other portion of this experimental platform, the Human Unimodel for Nuclear Technology to Enhance Reliability (HUNTER), is presented to show how the collected data can be used to evaluate novel scenarios based on the contextual factors, or performance shaping factors, derived from Rancor simulations. Rancor-HUNTER is being used to predict operator performance with new procedures, such as results from control room modernization or new-build situations. Rancor-HUNTER is also proving a useful surrogate platform to model human performance for other complex systems.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS2010

Soil Moisture Controls on Rainfall and Temperature Variability: A Modeler Searches Through Observational Data

The degree to which atmospheric processes respond to variations in soil moisture - a potentially important but largely untapped element of subseasonal to seasonal prediction - can be determined easily and directly for an atmospheric model but cannot be determined directly for nature through an analysis of observations. In atmospheric models) directions of causality can be artificially manipulated; we can avoid difficulties associated with the fact that atmospheric variations have a much larger impact on land state variations than vice-versa. In nature) on the other hand) the dominant direction of causality (the atmosphere forcing the ground) cannot be artificially "turned off") and the statistics associated with this dominant direction overwhelm those of the feedback signal. Observational data) however) do allow a number of indirect measures of landatmosphere feedback. This seminar reports on a series of joint analyses of observational and model data designed to illuminate the degree of land-atmosphere feedback present in the real world. The indirect measures do in fact suggest that feedback in nature, though small) is significant - enough to warrant the development of realistic land initialization strategies for subseasonal and seasonal forecasts.

Koster, Randal↗

DOE OSTI2022

The RAM-SCB model and its applications to advance space weather forecasting

Energetic particle fluxes that are part of the Earth’s ring current and radiation belts can intensify significantly during space weather events like geomagnetic storms and could cause severe damage to satellite-based technologies. Understanding the physical processes that control their dynamics and improving our capability for their prediction is thus extremely important. In the context of space weather applications and user needs, this paper provides a brief description of our kinetic ring current-atmosphere interactions model with self-consistent magnetic field (RAM-SCB) and its further extension to implement a self-consistent electric (E) field. Specific examples that demonstrate RAM-SCB capabilities and limitations to reproduce the near-Earth space weather environment are given. In this paper, the current status of RAM-SCB is assessed and plans for its further improvement are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1990

On the nature of the interaction between structures and actuators in vibration suppression

This lecture presents a summary of work on the analysis of the interaction between a structure, an actuator used to suppress the vibration of the structure, and the control law implemented by the actuator. Two control applications are considered. First, a proof-mass actuator with experimentally verified dynamics, capable of being used in a space structure configuration is examined. This is connected to a cantilevered beam modeled as a single degree of freedom system. Secondly, an electric motor, again with experimentally verified dynamics, is used to slew a beam modeled by a partial differential equation. Both the experimental and numerical configuration predict the presence of potential instabilities in system performance if proper consideration is not given to interactions between the control law, the structure and the actuator. In addition, an understanding of the interaction is shown to greatly effect performance. In particular it is shown that judicious choice of actuator parameters greatly improves closed loop performance.

Inman, Daniel J.↗

NASA NTRSDate not supplied

Modeling and Simulation of Rotary Sloshing in Launch Vehicles

The nonlinear dynamics of propellant sloshing during orbital ascent are usually neglected in the flight control analysis of large boost vehicles under the assumption that the viscous damping of the fluid is sufficient to suppress nonlinear phenomena and confine the fluid to small, planar free surface displacements. In this case, the sloshing dynamics can be modeled using a spring-mass-damper or linearized pendulum mechanical analog. However, large, smooth-wall tanks without significant internal hardware or ring baffles are still susceptible to nonlinear effects. In particular, rotary sloshing can present a risk to flight control as it involves the formation of a stable limit cycle which can lead to undesirable roll coupling. The underlying phenomena of jump resonance does not manifest in linear models, but can be reproduced using a nonlinear spherical pendulum or the Bauer paraboloid model developed during the Apollo/Saturn program. In this paper, a detailed analysis of the rotary sloshing dynamics of these mechanical analogs is presented, and discussed in the context of flight control stability. High-fidelity simulations of a representative boost vehicle are used to verify the semi-analytical predictions of the nonlinear dynamic response.

Modeling↗

DOE OSTI2021

Advanced Fuels Campaign Execution Plan

The Advanced Fuels Campaign (AFC) Execution Plan outlines the strategy, mission, scope, near-term and long-term goals, structure, and organization associated with nuclear fuels and materials research, development, and demonstration activities within the Department of Energy’s (DOE) Nuclear Fuel Cycle and Supply Chain (NFCSC) program. NFCSC has been given responsibility to identify and mature advanced fuel technologies for the DOE using a science-based approach, focused on developing a fundamental understanding of nuclear fuels and materials to drive development of integrated nuclear fuel and materials technology. This science-based approach combines theory, experiments, and multiscale modeling and simulation to achieve a predictive understanding of relevant behaviors ranging from fuel fabrication processes (and their resulting fuel microstructures) through fuel/cladding performance under irradiation (in contrast to more empirical, observation-based approaches frequently used in fuel performance modeling and fuel qualification). The traditional scope of AFC includes the evaluation and development of multiple fuel forms to support two fuel cycle options: once-through and full recycle. The word “fuel” is used generically to include conventional fuels, transmutation targets, and any associated cladding or duct materials. The once-through fuel cycle addresses advanced light water reactor fuels with enhanced performance, extended burnup, and reduced waste generation. In fiscal year (FY) 2012, AFC’s scope expanded to include research, development, and demonstration (RD&D) for light water reactor (LWR) fuels with enhanced accident tolerance. Fuel fabrication activities include the development of innovative methods to enhance process efficiencies, reduce waste, and improve control over as-fabricated fuel microstructural properties to achieve desired in-reactor performance. Using modern modeling and simulation approaches, the objective is to predict fresh fuel properties given the feedstock characteristics and fabrication process parameters. The performance-related activities include small-scale, in-reactor, and out-of-reactor phenomenological testing (distinct from, but synergistic with, integral prototypic testing) and extensive, quantitative characterization (focusing on characterization of fuel and cladding materials at the scale of microstructure) both before and after testing. Larger-scale, prototypic experiments are conducted in concert with phenomenological testing to drive a Fuel Development and Qualification program, incorporating a fundamental understanding of fuel behavior performance characteristics. Then, using the tools developed under the productive science-based approach, fuels will be optimized to meet specific performance requirements, thereby minimizing the need to repeatedly perform large-scale, integral experiments over a wide parametric range as a means of experimental exploration. Two significant initiatives are underway within AFC. First, a gap analysis completed in early FY 2019 identified critical irradiation testing needs that are lacking within the national light water reactor (LWR) fuels testbed since the shutdown of the Halden Reactor in 2018. The identified gaps are for instrumented, prototypic testing of LWR fuels, especially under boiling water reactor conditions, ramp conditions, and conditions leading to fuel failure; these needs exist for supporting current LWR fuels and their possible extension to higher burnups, but are especially urgent relative to near-term development and qualification of accident-tolerant fuels. Recommendations that resulted from the Halden Gap Analysis focused on enhancements at Advanced Test Reactor (ATR) and Transient Reactor Test Facility (TREAT) to fill gaps in testing capabilities relative to these needs. Second, a concerted effort to develop and demonstrate a systematic approach to accelerating the development, testing, and qualification of new fuel systems has been initiated. This is highlighted by a test strategy that combines the considerable advances in multiscale, mechanistic fuel modeling of recent years with a MiniFuel separate effects test program in the High Flux Isotope Reactor (HFIR) and a Fission Accelerated Steady-state Testing (FAST) semi-integral accelerated test program in ATR. This approach is being tested/demonstrated using the metallic fuel system, but if successful it is expected to be extensible to multiple fuel types and diverse applications. This document includes an overview of the NFCSC program, a definition of science-based development of nuclear fuels, near-term goals for Advanced LWR fuels (ALFs), and longer-term goals for Advanced Reactor Fuels (ARFs) RD&D. This includes the activities that will be conducted to achieve success toward the grand challenge, as well as the goals and milestones to be achieved over the next few decades of research and development. Long-term goals are based on the DOE Office of Nuclear Energ

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Advanced Fuels Campaign Execution Plan

The Advanced Fuels Campaign (AFC) Execution Plan outlines the strategy, mission, scope, near-term and long-term goals, structure, and organization associated with nuclear fuels and materials research, development, and demonstration activities within the Department of Energy’s (DOE) Nuclear Fuel Cycle and Supply Chain (NFCSC) program. NFCSC has been given responsibility to identify and mature advanced fuel technologies for the DOE using a science-based approach, focused on developing a fundamental understanding of nuclear fuels and materials to drive development of integrated nuclear fuel and materials technology. This science-based approach combines theory, experiments, and multiscale modeling and simulation to achieve a predictive understanding of relevant behaviors ranging from fuel fabrication processes (and their resulting fuel microstructures) through fuel/cladding performance under irradiation (in contrast to more empirical, observation-based approaches frequently used in fuel performance modeling and fuel qualification). The traditional scope of AFC includes the evaluation and development of multiple fuel forms to support two fuel cycle options: once-through and full recycle. The word “fuel” is used generically to include conventional fuels, transmutation targets, and any associated cladding or duct materials. The once-through fuel cycle addresses advanced light water reactor fuels with enhanced performance, extended burnup, and reduced waste generation. In fiscal year (FY) 2012, AFC’s scope expanded to include research, development, and demonstration (RD&D) for light water reactor (LWR) fuels with enhanced accident tolerance. Fuel fabrication activities include the development of innovative methods to enhance process efficiencies, reduce waste, and improve control over as-fabricated fuel microstructural properties to achieve desired in-reactor performance. Using modern modeling and simulation approaches, the objective is to predict fresh fuel properties given the feedstock characteristics and fabrication process parameters. The performance-related activities include small-scale, in-reactor, and out-of-reactor phenomenological testing (distinct from, but synergistic with, integral prototypic testing) and extensive, quantitative characterization (focusing on characterization of fuel and cladding materials at the scale of microstructure) both before and after testing. Larger-scale, prototypic experiments are conducted in concert with phenomenological testing to drive a Fuel Development and Qualification program, incorporating a fundamental understanding of fuel behavior performance characteristics. Then, using the tools developed under the productive science-based approach, fuels will be optimized to meet specific performance requirements, thereby minimizing the need to repeatedly perform large-scale, integral experiments over a wide parametric range as a means of experimental exploration. Two significant initiatives are underway within AFC. First, a gap analysis completed in early FY 2019 identified critical irradiation testing needs that are lacking within the national light water reactor (LWR) fuels testbed since the shutdown of the Halden Reactor in 2018. The identified gaps are for instrumented, prototypic testing of LWR fuels, especially under boiling water reactor conditions, ramp conditions, and conditions leading to fuel failure; these needs exist for supporting current LWR fuels and their possible extension to higher burnups, but are especially urgent relative to near-term development and qualification of accident-tolerant fuels. Recommendations that resulted from the Halden Gap Analysis focused on enhancements at Advanced Test Reactor (ATR) and Transient Reactor Test Facility (TREAT) to fill gaps in testing capabilities relative to these needs. Second, a concerted effort to develop and demonstrate a systematic approach to accelerating the development, testing, and qualification of new fuel systems has been initiated. This is highlighted by a test strategy that combines the considerable advances in multiscale, mechanistic fuel modeling of recent years with a MiniFuel separate effects test program in the High Flux Isotope Reactor (HFIR) and a Fission Accelerated Steady-state Testing (FAST) semi-integral accelerated test program in ATR. This approach is being tested/demonstrated using the metallic fuel system, but if successful it is expected to be extensible to multiple fuel types and diverse applications. This document includes an overview of the NFCSC program, a definition of science-based development of nuclear fuels, near-term goals for Advanced LWR fuels (ALFs), and longer-term goals for Advanced Reactor Fuels (ARFs) RD&D. This includes the activities that will be conducted to achieve success toward the grand challenge, as well as the goals and milestones to be achieved over the next few decades of research and development. Long-term goals are based on the DOE Office of Nuclear Energ

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1974

In flight ground control of high drag satellites utilizing on-board accelerometer data and rapid orbit prediction techniques

High drag satellites frequently require precise verification of orbital maneuvers and the accurate prediction of perigee height. An in-flight ground support system designed to monitor and compute orbital state and maneuvers is described. The use of on-board three-axis accelerometer data in a flight support software system to perform on-line maneuver analysis and atmospheric model updating is discussed. In addition, automated analytic techniques to rapidly and accurately predict perigee height following a maneuver are described, as well as semianalytic averaging techniques designed to predict a decaying orbital state for mission control.

Fuchs, A. J.↗

DOE OSTI2022

Relation between interfacial shear and friction force in 2D materials

Understanding the interfacial properties between an atomic layer and its substrate is of key interest at both the fundamental and technological levels. From Fermi level pinning to strain engineering and superlubricity, the interaction between a single atomic layer and its substrate governs electronic, mechanical and chemical properties. Here, we measure the hardly accessible interfacial transverse shear modulus of an atomic layer on a substrate. By performing measurements on bulk graphite, and on epitaxial graphene films on SiC with different stacking orders and twisting, as well as in the presence of intercalated hydrogen, we find that the interfacial transverse shear modulus is critically controlled by the stacking order and the atomic layer–substrate interaction. Importantly, we demonstrate that this modulus is a pivotal measurable property to control and predict sliding friction in supported two-dimensional materials. The experiments demonstrate a reciprocal relationship between friction force per unit contact area and interfacial shear modulus. As a result, the same relationship emerges from simulations with simple friction models, where the atomic layer– substrate interaction controls the shear stiffness and therefore the resulting friction dissipation.

36 MATERIALS SCIENCE↗

NASA NTRS1993

Laser tracking for vertical control

The Global Laser Tracking Network has provided LAGEOS ranging data of high accuracy since the first MERIT campaign in late 1983 and we can now resolve centimeter-level three dimensional positions of participating observatories at monthly intervals. In this analysis, the station height estimates have been considered separately from the horizontal components, and can be determined by the strongest stations with a formal standard error of 2 mm using eight years of continuous observations. The rate of change in the vertical can be resolved to a few mm/year, which is at the expected level of several geophysical effects. In comparing the behavior of the stations to that predicted by recent models of post-glacial rebound, we find no correlation in this very small effect. Particular attention must be applied to data and survey quality control when measuring the vertical component, and the survey observations are critical components of the geodynamic results. Seasonal patterns are observed in the heights of most stations, and the possibility of secular motion at the level of several millimeters per year cannot be excluded. Any such motion must be considered in the interpretation of horizontal inter-site measurements, and can help to identify mechanisms which can cause variations which occur linearly with time, seasonally, or abruptly.

Dunn, Peter↗

NASA NTRS2001

Dynamic Analysis of a Building Under Rocket Engine Plume Acoustic Load

Studies have been performed to develop finite-element modeling and simulation techniques to predict the dynamic structural response of Building 4010 to the acoustic load from the plume of high-thrust rocket motors. The building is the Test Control Center and general office space for the E-complex at Stennis Space Center. It is a large single span; light-structured building located approximately 1,000 feet from the E-1 test stand. A three-dimensional shell/beam combined model of the building was built using Pro/Engineer platform and imported into Pro/Mechanica for analysis. An Equivalent Shell technique was developed to simplify the highly complex building structure so that the calculation is more efficient and accurate. A deterministic approach was used for the dynamic analysis. A pre-stressed modal analysis was performed to simulate the weight stiffening of the structure, through which about 200 modes ranging from 0 to 35 Hz were identified. In an initial dynamic frequency analysis, the maximum response over the model was found. Then the complete 3-D distributions of the displacement, as well as the stresses, were calculated through a final frequency analysis. The results were compared to a strain gage and accelerometer recordings from rocket engine tests and showed reasonable agreement.

Qian, Z.↗

DOE OSTI2025

Prediction of defect properties in concentrated solid solutions using a Langmuir-like model

The alleged existence of sluggish diffusion in high-entropy alloys has drawn controversy. In high-entropy alloys and, in general, in all solids, transport properties are controlled by point defect concentration, which must be known before performing atomistic simulations to compute transport coefficients. In this work, we present a general Langmuir-like model for defect concentration in an arbitrarily complex solid solution and apply this model to generate expressions for concentrations of vacancies and small interstitial atoms. We then calculate the vacancy concentration as a function of temperature in the equiatomic CoNiCrFeMn and FeAl alloys with modified embedded-atom-method potentials for various chemical orderings, showing there is no clear correlation between vacancy thermodynamics and chemical ordering in the CoNiCrFeMn alloy, but clear systematic patterns for FeAl. We believe this is due to the high stability of disordered, random, and ordered intermetallic phases, respectively, in the CoNiCrFeMn and FeAl systems. Finally, this work provides future avenues to the prediction of thermal interstitials and vacancies in solid solutions, which is necessary for models of nonequilibrium behavior of solid solutions.

composition↗