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DOE OSTI2020

Fibrous Materials for Flexible Li–S Battery

The lithium–sulfur (Li–S) battery is an attractive high-energy-density technology for future flexible and wearable electronics, but it is a challenge to simultaneously realize adequate flexibility, stability, and energy density. Recent studies show that fibrous materials are promising to achieve flexible batteries with high energy density, by taking advantages of their intrinsic flexibility, lightweight, large surface area, and cost-effectiveness. With a good tunability of the structure and function, fibrous materials can be suitable to construct various components of a working battery, including current collectors, buffer layers, interlayers, and solid-state electrolytes. In this review, we summarize the recent development of fibrous materials for flexible Li–S batteries, with an emphasis on the discussion of the synthesis and preparation of materials, design of fibrous structures and functionalities, and layout of battery cells for achieving high Coulombic efficiency, long cycle life, and good flexibility.

25 ENERGY STORAGE↗

DOE OSTI2022

Large balancing areas and dispersed renewable investment enhance grid flexibility in a renewable-dominant power system in China

Renewable energy is poised to play a major role in achieving China's carbon neutrality goal by 2060; however, reliability and flexibility is a big concern of a renewable-dominant power system. Various strategies of enhancing flexibility are under discussion to ensure the reliability of such a system, but no detailed quantitative analysis has been reported yet in China. We combine the advantages of a capacity expansion model, SWITCH-China, with a production simulation model, PLEXOS, and analyze flexibility options under different scenarios of a renewable-dominant power system in China. We find that a larger balancing area offers direct flexibility benefits. Regional balancing could reduce the renewable curtailment rate by 5-7%, compared with a provincial balancing strategy. National balancing could further reduce the power cost by about 16%. However, retrofitting coal power plants for flexible operation would only improve the system flexibility marginally.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

DFAT: A web-based toolkit for estimating demand flexibility in building-to-grid integration

Demand Flexibility Assessment Tool (DFAT) is an open source web-based tool that estimates the demand flexibility potential of common control strategies in commercial buildings. The toolkit features a demand flexibility estimation tool that contains two calculators, basic and advanced, based on the level of input of customer data. The basic version calculates demand shed metrics for the control strategy “global temperature adjustment” and “cycle on/off compressors” using customer building information, local weather data, and electrical meter data. The advanced version, which uses detailed HVAC equipment data, calculates demand flexibility metrics for control strategies such as static pressure reset, global temperature adjustment, and cycle on/off compressors. In addition to the demand flexibility estimation tool, this toolkit offers a benchmarking tool that helps facility operators, aggregators, and utility resource managers assess demand flexibility opportunities, quantify/verify performance, and compare their performance against that of their peers.

Leong, Michael↗

DOE OSTI2024

Exploring the Influence of Linker Substitution and Ratios on Cooperative Framework Flexibility through the Mixed-Linker Approach

Cooperatively flexible metal–organic frameworks that exhibit step-shaped, or Type V-like, adsorption–desorption profiles can lower requisite pressure–temperature swings and thus energy input, necessary for an array of gas storage, delivery, and separations applications. However, such benefits are lost if the pressure threshold of the adsorption and desorption steps at a given temperature does not match the conditions dictated by the application, such as H 2 storage and delivery or olefin–paraffin separations. Unfortunately, the discovery of cooperatively flexible frameworks remains wholly serendipitous and de novo design remains impossible. Accordingly, there is a great need to further our understanding of flexibility such that we can intuitively derivatize known frameworks and, ultimately, design entirely new ones to meet the requisite conditions of energy-consumptive processes. In this work, we demonstrate that the mixed-linker, or multivariate, approach is a powerful tool for the derivation of a known flexible framework, with variances in linker substitution and ratio giving rise to a family wherein significant changes to the step-shaped adsorption–desorption profiles for multiple adsorbates are observed. Specifically, we report 12 isostructural mixed-linker derivatives of CdIF-13 (sod–Cd(benzimidazolate) 2 ) with six point-modified benzimidazole linkers spontaneously synthesized through prototypical solvothermal conditions. Furthermore, each is shown by PXRD to exhibit similar reversible flexibility to CdIF-13 and by TGA and DSC to be similarly thermally stable. Isothermal gas adsorption measurements with N 2 at 77 K, CO 2 at 195 K, and propane at 298 K demonstrate the wide-ranging, adsorbate-dependent effects of linker substitution and ratio, including dramatic reductions in the adsorption threshold pressure, evolution of multiple steps, and complete absence of observable adsorption. Aided by prior crystallographic characterization of CdIF-13, the observed trends were analyzed in an attempt to resolve the influence of linker substitution and ratios on structural behavior. In total, this work illustrates how the mixed-linker approach enables the synthesis and study of a large catalog of functionally modified frameworks, which can help identify the variables that influence flexibility and sorption behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Effect of Flexibility in Molecular Simulations of Carbon Dioxide Adsorption and Diffusion in a Cuprous Triazolate Framework

Using fixed atom force fields to model gas adsorption in flexible metal organic frameworks (MOFs) is known to pose difficulties in accurately reproducing and predicting experimental results. This paper studies the difference in accuracy between flexible and fixed atom force fields in reproducing CO 2 adsorption measurements in MAF-2 ([Cu(etz)]∞ (MAF-2, Hetz) 3,5-diethyl-1,2,4-triazole), an NbO-type triazolate scaffold with a bcu cavity system and attached ethyl groups. The flexible force field used to run the hybrid molecular dynamics and grand canonical Monte Carlo calculations were generated using the QuickFF software incorporating van der Waals parameters from the Universal Force Field (UFF) and density derived electrostatic and chemical (DDEC) charges. The fixed atom force field used was composed of UFF van der Waals parameters together with DDEC charges. The calculations were run at 298 K and at pressures of 0.1, 0.3, 0.5, 0.8, and 1 bar. It was observed that for this MOF the rigid force field overpredicted gas adsorption, whereas the flexible force field values closely matched experimental data. In the flexible structure, the freely moving ethyl groups of MAF-2 hindered adsorption, reducing the interaction energy between CO 2 and the N atoms of the triazolate framework as well as reducing the size of the largest cavity diameter. Here, the combination of these factors led to improved prediction of adsorption values with the flexible forcefield as compared to the rigid forcefield, demonstrating the need for modeling MOFs in a way more indicative of their behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Investigation of the Effect of Framework Flexibility on CO 2 Adsorption in SIFSIX-3-Cu Using a Machine-Learned Force Field

Metal–organic frameworks (MOFs) offer promise as selective CO 2 sorbents, but successful MOF sorbent materials need high CO 2 binding affinity and selectivity for CO 2 over water. This work focuses on the use of machine-learned force fields (MLFFs) to model CO 2 adsorption in flexible MOFs, with a focus on SIFSIX-3-Cu, an anion-pillared MOF known for its high CO 2 affinity. A preliminary high-throughput screening of over 900 anion-pillared MOFs was performed using rigid UFF+DDEC6 force fields to predict zero-loading heats of adsorption for CO 2 and H 2 O. SIFSIX-3-Cu was selected for further computational study due to its predicted CO 2 heat of adsorption and experimental relevance. A DeePMD-based MLFF was trained to reproduce DFT (PBE+D3) energies and forces, with an iterative sampling scheme combining molecular dynamics, geometry optimization, random geometric insertion, and NVT Monte Carlo-based configuration generation to capture both attractive and repulsive regions of the potential energy surface. Flexibility of the MOF was explicitly included, contrasting with previous models that approximated the MOF as rigid. Hybrid Monte Carlo/molecular dynamics (MC/MD) simulations with the MLFF produced CO 2 adsorption isotherms in good agreement with experimental data at direct air capture (DAC) pressures (e.g., 40 Pa), in contrast to previous overestimations of CO 2 sorption by models with rigid structures. Bond and angle histogram analysis showed that MOF flexibility increased the variance of fluorine–fluorine diagonal distances at adsorption sites, resulting in a lower predicted sorption for flexible, asymmetric SIFSIX-3-Cu pore geometries compared to the rigid, symmetric DFT-optimized SIFSIX-3-Cu pore geometry. A detailed description of flexibility afforded by the MLFF resulted in an accurately predicted CO 2 uptake (0.88 mmol/g) at low pressure (40 Pa) compared to the experimentally measured value (1.24 mmol/g). In conclusion, these results underscore the importance of including framework flexibility when modeling adsorption phenomena in MOFs, particularly for low-pressure applications.

adsorption↗

DOE OSTI2023

Effect of Crystallite Size on the Flexibility and Negative Compressibility of Hydrophobic Metal–Organic Frameworks

Flexible nanoporous materials are of great interest for applications in many fields such as sensors, catalysis, material separation, and energy storage. Of these, metal–organic frameworks (MOFs) are the most explored thus far. However, tuning their flexibility for a particular application remains challenging. In this work, we explore the effect of the exogenous property of crystallite size on the flexibility of the ZIF-8 MOF. By subjecting hydrophobic ZIF-8 to hydrostatic compression with water, the flexibility of its empty framework and the giant negative compressibility it experiences during water intrusion were recorded via in operando synchrotron irradiation. It was observed that as the crystallite size is reduced to the nanoscale, both flexibility and the negative compressibility of the framework are reduced by ~25% and ~15%, respectively. These results pave the way for exogenous tuning of flexibility in MOFs without altering their chemistries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Flexibility Requirements for Energy Systems with Renewable Generation under Forecast Uncertainties

Energy systems with high fractions of renewable energy-based resources require adequate assets providing flexibility in electricity usage to maximize the benefits of renewable energy. In this paper, we provide an analytical approach to estimate the flexibility requirements of such energy systems, with forecast uncertainties in both demand and generation. Our analytical results show that even with forecast errors, the expected system operating cost decreases with an increase in the amount of flexibility capacity -- however, there is an inflection point, beyond which addition of further flexibility capacity does not reduce expected system cost any further. Additionally, an enumeration-based approach is presented to estimate the maximum flexibility capacity needed to optimize the operating cost. Numerical experiments conducted on a network-abstracted modified IEEE 30-bus system are used for empirical validation and gaining additional insights on the effect of prosumers' willingness to offer flexibility on the dispatch performance.

Bhattacharya, Saptarshi↗

DOE OSTI2020

The Potential to Improve the Value of U.S. Geothermal Electricity Generation Through Flexible Operations

Geothermal power plants have typically been operated as baseload plants. The recent expansion of wind and solar power generation creates a potential opportunity to increase the value of geothermal generation through flexible operations. In recent years, California’s wholesale electricity markets have exhibited frequent, short-term periods of negative pricing, indicating that additional flexibility would be valued in the market. Here, we examine local nodal hourly price records at all geothermal plants located in the western United States. We describe how the frequency and temporal characteristics of negative pricing episodes have changed over recent years. Based on these price series, we calculate the value of multiple strategies of flexible operations. Additionally, we use the estimates of future prices, developed through a capacity-expansion model and a dispatch model, to explore how the value of such flexible operations might change along with further penetration of variable renewable power sources. Based on the historical pricing records, we find that simple curtailment of operations during negative pricing episodes could increase the average energy value by 1–2 dollars per MWh and that allowing for increased production during limited high-priced hours, in addition to curtailment during negative priced hours, could potentially double the increase in value (up to 4 dollars per MWh). The forward-looking simulations indicate reduced values of flexibility from geothermal power despite higher penetrations of variable renewable energy. This result highlights the possibility that increasing flexibility options throughout the system may counteract the influence of increased variable renewable energy deployment.

15 GEOTHERMAL ENERGY↗

DOE OSTI2025

Business Models for Scaling Demand Flexibility Volume III – Stakeholder ecosystem management challenges, and lessons learned from U.S. programs

Load growth at the grid edge is driving increased attention to the distribution system and its ability to enable customer technology adoption in an affordable and timely manner. Key industry stakeholders, including electric utilities and regulators, can benefit from strategies to manage and balance customer needs with infrastructure investments, such as demand flexibility. This report focuses on demand flexibility—the ability to reduce, shift, shed, generate, or modulate loads in response to building and grid needs—to reduce the need for costly grid upgrades by deferring investment needs and increase system reliability by shifting electricity usage during periods of high risk. Specifically, we focus on the emerging characteristics of business models for demand flexibility as a framework to understand how demand flexibility programs generate value. In this report, we focus on demand flexibility program stakeholder ecosystem management strategies, which provide information on value delivery and describe how program implementers leverage partner capabilities and collaborate to deliver customer and grid benefits. This report discusses the role of stakeholder ecosystem management in demand flexibility programs, identifies existing challenges to effective stakeholder management, and describes lessons learned. This report is part of a series that includes reports on value propositions, customer relationship management strategies, and program life cycle.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Business Models for Scaling Demand Flexibility Volume II – Customer relationship management strategies, challenges, and lessons learned from U.S. programs

Load growth at the grid edge is driving increased attention to the distribution system and its ability to enable customer technology adoption in an affordable and timely manner. Key industry stakeholders, including electric utilities and regulators, can benefit from strategies to manage and balance customer needs with infrastructure investments, such as demand flexibility. This report focuses on demand flexibility—the ability to reduce, shift, shed, generate, or modulate loads in response to building and grid needs—to reduce the need for costly grid upgrades by deferring investment needs and increase system reliability by shifting electricity usage during periods of high risk. Specifically, we focus on the emerging characteristics of business models for demand flexibility as a framework to understand how demand flexibility programs generate value. In this report, we focus on demand flexibility program customer relationship management strategies, which provide information on value creation and focus on ensuring customers can navigate programs smoothly. This report discusses the role of customer relationship management strategies in demand flexibility programs, characterizes customer relationship management strategies that can be considered during program design and implementation, identifies existing challenges to customer relationship management strategies, and describes lessons learned. This report is part of a series that includes reports on value propositions, stakeholder ecosystem management, and program life cycle.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Business Models for Scaling Demand Flexibility Volume IV – Program life cycle challenges and lessons learned from U.S. programs

Load growth at the grid edge is driving increased attention to the distribution system and its ability to enable customer technology adoption in an affordable and timely manner. Key industry stakeholders, including electric utilities and regulators, can benefit from strategies to manage and balance customer needs with infrastructure investments, such as demand flexibility. This report focuses on demand flexibility—the ability to reduce, shift, shed, generate, or modulate loads in response to building and grid needs—to reduce the need for costly grid upgrades by deferring investment needs and increase system reliability by shifting electricity usage during periods of high risk. Specifically, we focus on the emerging characteristics of business models for demand flexibility as a framework to understand how demand flexibility programs generate value. In this report, we focus on the life cycle of demand flexibility programs, which provides information on value creation and describes the various deployment phases program implementers navigate from initial program conceptualization through to program expansion and replication to new customer segments and regions. This report characterizes the key phases of the demand flexibility program life cycle, identifies existing challenges across the program deployment phases, and describes lessons learned. This report is part of a series that includes reports on customer relationship management strategies, stakeholder ecosystem management, and program life cycle.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

How Can Floor Covering Influence Buildings’ Demand Flexibility?

Although the thermal mass of floors in buildings has been demonstrated to help shift cooling load, there is still a lack of information about how floor covering can influence the floor’s load shifting capability and buildings’ demand flexibility. To fill this gap, we estimated demand flexibility based on the daily peak cooling load reduction for different floor configurations and regions, using EnergyPlus simulations. As a demand response strategy, we used precooling and global temperature adjustment. The result demonstrated an adverse impact of floor covering on the building’s demand flexibility. Specifically, under the same demand response strategy, the daily peak cooling load reductions were up to 20–34% for a concrete floor whereas they were only 17–29% for a carpet-covered concrete floor. This is because floor covering hinders convective coupling between the concrete floor surface and the zone air and reduces radiative heat transfer between the concrete floor surface and the surrounding environment. In hot climates such as Phoenix, floor covering almost negated the concrete floor’s load shifting capability and yielded low demand flexibility as a wood floor, representing low thermal mass. Sensitivity analyses showed that floor covering’s effects can be more profound with a larger carpet-covered area, a greater temperature adjustment depth, or a higher radiant heat gain. With this effect ignored for a given building, its demand flexibility would be overestimated, which could prevent grid operators from obtaining sufficient demand flexibility to maintain a grid. Our findings also imply that for more efficient grid-interactive buildings, a traditional standard for floor design could be modified with increasing renewable penetration.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1972

A wind-tunnel evaluation of analytical techniques for predicting static stability and control characteristics of flexible aircraft

An experimental evaluation of analytical techniques for predicting certain stability and control characteristics of a large flexible aircraft is presented. Analytical methods based on both the model approach and flexibility influence coefficients are developed to predict the aerodynamic characteristics of a flexible airplane. These methods are then applied to a flexibly scaled model of a supersonic transport configuration. Comparisons of wind-tunnel data, calculations based on the model approach, and flexibility influence coefficients are presented over the Mach number range from 0.6 to 2.7. An examination of the results obtained from this study indicates that both analytical techniques predict reasonably well the effect of flexibility on the basic longitudinal characteristics and that both techniques give generally comparable results.

Abel, I.↗

NASA NTRS1973

Nonlinear transient analysis of multi-mass flexible rotors - theory and applications

The equations of motion necessary to compute the transient response of multi-mass flexible rotors are formulated to include unbalance, rotor acceleration, and flexible damped nonlinear bearing stations. A method of calculating the unbalance response of flexible rotors from a modified Myklestad-Prohl technique is discussed in connection with the method of solution for the transient response. Several special cases of simplified rotor-bearing systems are presented and analyzed for steady-state response, stability, and transient behavior. These simplified rotor models produce extensive design information necessary to insure stable performance to elastic mounted rotor-bearing systems under varying levels and forms of excitation. The nonlinear journal bearing force expressions derived from the short bearing approximation are utilized in the study of the stability and transient response of the floating bush squeeze damper support system. Both rigid and flexible rotor models are studied, and results indicate that the stability of flexible rotors supported by journal bearings can be greatly improved by the use of squeeze damper supports. Results from linearized stability studies of flexible rotors indicate that a tuned support system can greatly improve the performance of the units from the standpoint of unbalanced response and impact loading. Extensive stability and design charts may be readily produced for given rotor specifications by the computer codes presented in this analysis.

Kirk, R. G.↗

NASA NTRS1988

Vibration and Control of Flexible Rotor Supported by Magnetic Bearings

Active vibration control of flexible rotors supported by magnetic bearings is discussed. Using a finite-element method for a mathematical model of the flexible rotor, the eigenvalue problem is formulated taking into account the interaction between a mechanical system of the flexible rotor and an electrical system of the magnetic bearings and the controller. However, for the sake of simplicity, gyroscopic effects are disregarded. It is possible to adapt this formulation to a general flexible rotor-magnetic bearing system. Controllability with and without collocation sensors and actuators located at the same distance along the rotor axis is discussed for the higher order flexible modes of the test rig. In conclusion, it is proposed that it is necessary to add new active control loops for the higher flexible modes even in the case of collocation. Then it is possible to stabilize for the case of uncollocation by means of this method.

Nonami, Kenzou↗

NASA NTRS1988

The equations of motion for a general orbiting large space flexible system

General motion equations in compact form using dyadic notation are developed for an orbiting flexible body of arbitrary shape. The equations are applied to three typical flexible space systems: a flexible beam, a flexible plate, and a flexible shallow spherical shell in orbit. The inertia dyadic of these flexible bodies may be calculated using the equations which have been obtained.

Xing, Guangqian↗

NASA NTRS1990

On dynamics and control of multi-link flexible space manipulators

In this paper dynamics, inverse dynamics, and control problems for multi-link flexible space manipulators are presented. In deriving the flexible manipulator dynamics the following are assumed: flexible deformations are relatively small; angular rates of the links are much smaller than their fundamental frequencies; nonlinear terms (centrifugal and Coriolis forces) in the flexible manipulator model are the same as those in the rigid body model. These assumptions are reasonable for large space manipulators, such as the space crane. Flexible displacements are measured with respect to the rigid body configuration, for which a linear time-varying system is obtained. The inverse dynamics problem consists of determination of joint torques, given tip trajectory, such that joint angles in flexible configuration are equal to the angles in the rigid body configuration. The manipulator control system consists of the feedforward compensation and feedback control loops. Simulation results of a two-link space crane with large payload show that the performance of this linearized dynamics and control approach is reasonable and robust subject to parameter variations during slew operations.

Gawronski, W.↗