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At least 73 records · Page 4

On the coupling between a supersonic boundary layer and a flexible surface

The coupling between a two-dimensional, supersonic, laminar boundary layer and a flexible surface is studied using direct numerical computations of the Navier-Stokes equations coupled with the plate equation. The flexible surface is forced to vibrate by plane acoustic waves at normal incidence emanated by a sound source located on the side of the flexible surface opposite to the boundary layer. The effect of the source excitation frequency on the surface vibration and boundary layer stability is analyzed. We find that, for frequencies near the fifth natural frequency of the surface or lower, large disturbances are introduced in the boundary layer which may alter its stability characteristics. The interaction between a stable two-dimensional disturbance of Tollmien-Schlichting (TS) type with the vibrating surface is also studied. We find that the disturbance level is higher over the vibrating flexible surface than that obtained when the surface is rigid, which indicates a strong coupling between flow and structure. However, in the absence of the sound source the disturbance level over the rigid and flexible surfaces are identical. This result is due to the high frequency of the TS disturbance which does not couple with the flexible surface.

Frendi, Abdelkader↗

On the coupling between a supersonic boundary layer and a flexible surface

The coupling between a two-dimensional, supersonic, laminar boundary layer and a flexible surface is studied using direct numerical computations of the Navier-Stokes equations coupled with the plate equation. The flexible surface is forced to vibrate by plane acoustic waves at normal incidence emanated by a sound source located on the side of the flexible surface opposite to the boundary layer. The effect of the source excitation frequency on the surface vibration and boundary layer stability is analyzed. We find that, for frequencies near the fifth natural frequency of the surface or lower, large disturbances are introduced in the boundary layer which may alter its stability characteristics. The interaction between a stable two-dimensional disturbance of Tollmien-Schlichting (TS) type with the vibrating surface is also studied. We find that the disturbance level is higher over the vrating flexible surface than that obtained when the surface is rig id, which indicates a strong coupling between flow and structure. However, in the absence of the sound source the disturbance level over the rigid and flexible surfaces are identical. This result is due to the high frequency of the TS disturbance which does not couple with the flexible surface.

Frendi, Abdelkader↗

Atomic oxygen durability evaluation of the flexible batten for the photovoltaic array mast on Space Station

A test program was conducted at the National Aeronautics and Space Administration's Lewis Research Center (LeRC) to evaluate the long term low Earth orbital (LEO) atomic oxygen (AO) durability of a flexible (fiberglass-epoxy composite) batten. The flexible batten is a component used to provide structural rigidity in the photovoltaic array mast on Space Station. The mast is used to support and articulate the photovoltaic array, therefore, the flexible batten must be preloaded for the 15 year lifetime of an array blanket. Development hardware and composite materials were evaluated in ground testing facilities for AO durability and dynamic retraction-deployment cyclic loading representative of expected full life in-space application. The CV1144 silicone (AO protective) coating was determined to provide adequate protection against AO degradation of the composite material and provided fiber containment, thus the structural integrity of the flexible batten was maintained. Both silicone coated and uncoated flexible battens maintained load carrying capabilities. Results of the testing did indicate that the CV1144 silicone protective coating was oxidized by AO reactions to form a brittle glassy (SiO2) skin that formed cracking patterns on all sides of the coated samples. The cracking was observed in samples that were mechanically stressed as well as samples in non-stressed conditions. The oxidized silicon was observed to randomly spall in small localized areas, on the flexible battens that underwent retraction-deployment cycling. Some darkening of the silicon, attributed to vacuum ultraviolet (VUV) radiation, was observed.

Stidham, Curtis R.↗

High-performance, flexible, deployable array development for space applications

Flexible, deployable arrays are an attractive alternative to conventional solar arrays for near-term and future space power applications, particularly due to their potential for high specific power and low storage volume. Combined with low-cost flexible thin-film photovoltaics, these arrays have the potential to become an enabling or an enhancing technology for many missions. In order to expedite the acceptance of thin-film photovoltaics for space applications, however, parallel development of flexible photovoltaics and the corresponding deployable structure is essential. Many innovative technologies must be incorporated in these arrays to ensure a significant performance increase over conventional technologies. For example, innovative mechanisms which employ shape memory alloys for storage latches, deployment mechanisms, and array positioning gimbals can be incorporated into flexible array design with significant improvement in the areas of cost, weight, and reliability. This paper discusses recent activities at Martin Marietta regarding the development of flexible, deployable solar array technology. Particular emphasis is placed on the novel use of shape memory alloys for lightweight deployment elements to improve the overall specific power of the array. Array performance projections with flexible thin-film copper-indium-diselenide (CIS) are presented, and government-sponsored solar array programs recently initiated at Martin Marietta through NASA and Air Force Phillips Laboratory are discussed.

Gehling, Russell N.↗

Flexible Ceramic-Metal Insulation Composite and Method of Making

A method for joining a woven flexible ceramic fabric and a thin metal sheet creating an integral metal surfaced flexible thermal protection article, which methods compress: placing multiple dots of high temperature metallic or fabric and the thin metal sheet in a random or organized pattern, with the proviso that the brazing material covers about 10% or less of the surface of one flat side of the metal sheet; heating the flexible ceramic fabric, brazing material and thin metal sheet for a predetermined period of time to integrally connect the same; and cooling the formed flexible article to ambient temperature. Preferably the flexible ceramic is selected from fibers comprising atoms of silicon, carbon, nitrogen, boron, oxygen or combinations thereof. The flexible thermal protection article produced is also part of the present invention. The thin metal sheet is comprised of titanium, aluminum, chromium, niobium or alloys or combinations thereof. The brazing material is selected from copper/silver or copper/gold or is a ceramic brazing or adhesive material.

Rasky, Daniel J.↗

Thermal Performance of Composite Flexible Blanket Insulations for Hypersonic Aerospace Vehicles

This paper describes the thermal performance of a Composite Flexible Blanket Insulation (C.F.B.I.) considered for potential use as a thermal protection system or thermal insulation for future hypersonic vehicles such as the National Aerospace Plane (N.A.S.P.). Thermophysical properties for these insulations were also measured including the thermal conductivity at various temperatures and pressures and the emissivity of the fabrics used in the flexible insulations. The thermal response of these materials subjected to aeroconvective heating from a plasma arc is also described. Materials tested included two surface variations of the insulations, and similar insulations coated with a Protective Ceramic Coating (P.C.C.). Surface and backface temperatures were measured in the flexible insulations and on Fibrous Refractory Composite Insulation (F.R.C.I.) used as a calibration model. The uncoated flexible insulations exhibited good thermal performance up to 35 W/sq cm. The use of a P.C.C. to protect these insulations at higher heating rates is described. The results from a computerized thermal analysis model describing thermal response of those materials subjected to the plasma arc conditions are included. Thermal and optical properties were determined including thermal conductivity for the rigid and flexible insulations and emissivity for the insulation fabrics. These properties were utilized to calculate the thermal performance of the rigid and flexible insulations at the maximum heating rate.

Kourtides, Demetrius A.↗

MPLM On-Orbit Interface Dynamic Flexibility Modal Test

Now that the International Space Station (ISS) is being constructed, payload developers have to not only verify the Shuttle-to-payload interface, but also the interfaces their payload will have with the ISS. The Multi Purpose Logistic Module (MPLM) being designed and built by Alenia Spazio in Torino, Italy is one such payload. The MPLM is the primary carrier for the ISS Payload Racks, Re-supply Stowage Racks, and the Resupply Stowage Platforms to re-supply the ISS with food, water, experiments, maintenance equipment and etc. During the development of the MPLM there was no requirement for verification of the on-orbit interfaces with the ISS. When this oversight was discovered, all the dynamic test stands had already been disassembled. A method was needed that would not require an extensive testing stand and could be completed in a short amount of time. The residual flexibility testing technique was chosen. The residual flexibility modal testing method consists of measuring the free-free natural frequencies and mode shapes along with the interface frequency response functions (FRF's). Analytically, the residual flexibility method has been investigated in detail by, MacNeal, Martinez, Carne, and Miller, and Rubin, but has not been implemented extensively for model correlation due to difficulties in data acquisition. In recent years improvement of data acquisition equipment has made possible the implementation of the residual flexibility method as in Admire, Tinker, and Ivey, and Klosterman and Lemon. The residual flexibility modal testing technique is applicable to a structure with distinct points (DOF) of contact with its environment, such as the MPLM-to-Station interface through the Common Berthing Mechanism (CBM). The CBM is bolted to a flange on the forward cone of the MPLM. During the fixed base test (to verify Shuttle interfaces) some data was gathered on the forward cone panels. Even though there was some data on the forward cones, an additional modal test was performed to better characterize its behavior. The CBM mounting flange is the only remaining structure of the MPLM that no test data was available. This paper discusses the implementation of the residual flexibility modal testing technique on the CBM flange and the modal test of the forward cone panels.

Bookout, Paul S.↗

Thermal Insulation Performance of Flexible Piping for Use in HTS Power Cables

High-temperature superconducting (HTS) cables that typically operate at temperatures below 80 K are being developed for power transmission. The practical application of HTS power cables will require the use of flexible piping to contain the cable and the liquid nitrogen coolant. A study of thermal performance of multilayer insulation (MLI) was conducted in geometries representing both rigid and flexible piping. This experimental study performed at the Cryogenics Test Laboratory of NASA Kennedy Space Center provides a framework for the development of cost-effective, efficient thermal insulation systems that will support these long-distance flexible lines containing HTS power cables. The overall thermal performance of the insulation system for a rigid configuration and for a flexible configuration, simulating a flexible HTS power cable, was determined by the steady-state liquid nitrogen boiloff method under the full range of vacuum levels. Two different cylindrically rolled material systems were tested: a standard MLI and a layered composite insulation (LCI). Comparisons of ideal MLI, MLI on rigid piping, and MLI between flexible piping are presented.

Fesmire, James E.↗

Stabilization of posture by precision touch of the index finger with rigid and flexible filaments

Light touch of the index finger with a stationary surface at non-mechanically supportive force levels (<100 g) greatly attenuates the body sway of standing subjects. In three experiments, we evaluated the properties of finger contact and of the contacted object necessary to produce postural stabilization in subjects standing heel-to-toe with eyes closed, as well as how accurately hand position can be controlled. Experiment 1 involved finger contact with flexible filaments of different bending strengths, a flat surface, and an imagined spatial position. Contact with the flat surface was most effective in attenuating sway; the flexible filaments were much less effective but still significantly better than imagined contact. Experiment 2 compared the effectiveness of finger contact with a flexible filament, a rigid filament of the same diameter, a flat surface, and an imagined spatial position. The rigid filament and flat surface conditions were equally effective in attenuating body sway and were greatly superior to contact with the flexible filament, which was superior to imagined contact. Experiment 3 included five conditions: arms by sides; finger "contact" with an imagined spatial position; finger contact with a flat surface; finger contact with a flexible filament attempting to maintain it bent; and contact with the flexible filament attempting not to bend it. The arms by sides and finger "contact" with an imagined position conditions did not differ significantly; all three conditions involving actual finger contact showed significantly less center of pressure and hand sway, but contact with the flat surface was most effective in attenuating both postural and hand displacement. In all three experiments, the level of force applied in fingertip contact conditions was far below that necessary to provide mechanical stabilization. Our findings indicate that: (1) stimulation of a small number of receptors in the fingertip is adequate to allow stabilization of sway, (2) fingertip force levels as low as 5-10 g provide some stabilization, (3) contact with a stationary spatial referent is most effective, and (4) independent control of arm and torso occurs when finger contact is allowed.

NASA Discipline Neuroscience↗

Flexible Models for Solar Sail Control

Solar sails employ a unique form of propulsion, gaining momentum from incident and reflected photons. However, the momentum transferred by an individual photon is extremely small. Consequently, a solar sail must have an extremely large surface area and also be extremely light. The flexibility of the sail then must be considered when designing or evaluating control laws. In this paper, solar sail flexibility and its influence on control effectiveness is considered using idealized two-dimensional models to represent physical phenomena rather than a specific design. Differential equations of motion are derived for a distributed parameter model of a flexible solar sail idealized as a rotating central hub with two opposing flexible booms. This idealization is appropriate for solar sail designs in which the vibrational modes of the sail and supporting booms move together allowing the sail mass to be distributed along the booms in the idealized model. A reduced analytical model of the flexible response is considered. Linear feedback torque control is applied at the central hub. Two translational disturbances and a torque disturbance also act at the central hub representing the equivalent effect of deflecting sail shape about a reference line. Transient simulations explore different control designs and their effectiveness for controlling orientation, for reducing flexible motion and for disturbance rejection. A second model also is developed as a two-dimensional "pathfinder" model to calculate the effect of solar sail shape on the resultant thrust, in-plane force and torque at the hub. The analysis is then extended to larger models using the finite element method. The finite element modeling approach is verified by comparing results from a two-dimensional finite element model with those from the analytical model. The utility of the finite element modeling approach for this application is then illustrated through examples based on a full finite element model.

Weaver Smith, Suzanne↗

Flight Dynamics of Flexible Aircraft with Aeroelastic and Inertial Force Interactions

This paper presents an integrated flight dynamic modeling method for flexible aircraft that captures coupled physics effects due to inertial forces, aeroelasticity, and propulsive forces that are normally present in flight. The present approach formulates the coupled flight dynamics using a structural dynamic modeling method that describes the elasticity of a flexible, twisted, swept wing using an equivalent beam-rod model. The structural dynamic model allows for three types of wing elastic motion: flapwise bending, chordwise bending, and torsion. Inertial force coupling with the wing elasticity is formulated to account for aircraft acceleration. The structural deflections create an effective aeroelastic angle of attack that affects the rigid-body motion of flexible aircraft. The aeroelastic effect contributes to aerodynamic damping forces that can influence aerodynamic stability. For wing-mounted engines, wing flexibility can cause the propulsive forces and moments to couple with the wing elastic motion. The integrated flight dynamics for a flexible aircraft are formulated by including generalized coordinate variables associated with the aeroelastic-propulsive forces and moments in the standard state-space form for six degree-of-freedom flight dynamics. A computational structural model for a generic transport aircraft has been created. The eigenvalue analysis is performed to compute aeroelastic frequencies and aerodynamic damping. The results will be used to construct an integrated flight dynamic model of a flexible generic transport aircraft.

Nguyen, Nhan T.↗

Two-Arm Flexible Thermal Strap

Airborne and space infrared cameras require highly flexible direct cooling of mechanically-sensitive focal planes. A thermal electric cooler is often used together with a thermal strap as a means to transport the thermal energy removed from the infrared detector. While effective, traditional thermal straps are only truly flexible in one direction. In this scenario, a cooling solution must be highly conductive, lightweight, able to operate within a vacuum, and highly flexible in all axes to accommodate adjustment of the focal plane while transmitting minimal force. A two-armed thermal strap using three end pieces and a twisted section offers enhanced elastic movement, significantly beyond the motion permitted by existing thermal straps. This design innovation allows for large elastic displacements in two planes and moderate elasticity in the third plane. By contrast, a more conventional strap of the same conductance offers less flexibility and asymmetrical elasticity. The two-arm configuration reduces the bending moment of inertia for a given conductance by creating the same cross-sectional area for thermal conduction, but with only half the thickness. This reduction in the thickness has a significant effect on the flexibility since there is a cubic relationship between the thickness and the rigidity or bending moment of inertia. The novelty of the technology lies in the mechanical design and manufacturing of the thermal strap. The enhanced flexibility will facilitate cooling of mechanically sensitive components (example: optical focal planes). This development is a significant contribution to the thermal cooling of optics. It is known to be especially important in the thermal control of optical focal planes due to their highly sensitive alignment requirements and mechanical sensitivity; however, many other applications exist including the cooling of gimbal-mounted components.

Urquiza, Eugenio↗

Fully Printed, Flexible, Phased Array Antenna for Lunar Surface Communication

NASAs future exploration missions focus on the manned exploration of the Moon, Mars, and beyond, which will rely heavily on the development of a reliable communications infrastructure from planetary surface-to-surface, surface-to-orbit, and back to Earth. Flexible antennas are highly desired in many scenarios. Active phased array antennas (active PAAs) with distributed control and processing electronics at the surface of an antenna aperture offer numerous advantages for radar communications. Large-area active PAAs on flexible substrates are of particular interest in NASA s space radars due to their efficient inflatable package that can be rolled up during transportation and deployed in space. Such an inflatable package significantly reduces stowage volume and mass. Because of these performance and packaging advantages, large-area inflatable active PAAs are highly desired in NASA s surface-to-orbit and surface-to-relay communications. To address the issues of flexible electronics, a room-temperature printing process of active phased-array antennas on a flexible Kapton substrate was developed. Field effect transistors (FETs) based on carbon nanotubes (CNTs), with many unique physical properties, were successfully proved feasible for the PAA system. This innovation is a new type of fully inkjet-printable, two-dimensional, high-frequency PAA on a flexible substrate at room temperature. The designed electronic circuit components, such as the FET switches in the phase shifter, metal interconnection lines, microstrip transmission lines, etc., are all printed using a special inkjet printer. Using the developed technology, entire 1x4, 2x2, and 4x4 PAA systems were developed, packaged, and demonstrated at 5.3 GHz. Several key solutions are addressed in this work to solve the fabrication issues. The source/drain contact is developed using droplets of silver ink printed on the source/drain areas prior to applying CNT thin-film. The wet silver ink droplets allow the silver to wet the CNT thin-film area and enable good contact with the source and drain contact after annealing. A passivation layer to protect the device channel is developed by bonding a thin Kapton film on top of the device channel. This film is also used as the media for transferring the aligned CNT thin-film on the device substrate. A simple and cost-effective technique to form multilayer metal interconnections on flexible substrate is developed and demonstrated. Contact vias are formed on the second substrate prior to bonding on the first substrate. Inkjet printing is used to fill the silver ink into the via structure. The printed silver ink penetrates through the vias to contact with the contact pads on the bottom layer. It is then annealed to form a good connection. One-dimensional and two-dimensional PAAs were fabricated and characterized. In these circuits, multilayer metal interconnects were used to make a complete PAA system.

Subbaraman, Harish↗

Coupled Fluid-Structure Interaction Analysis of Solid Rocket Motor with Flexible Inhibitors

Flexible inhibitors are generally used in solid rocket motors (SRMs) as a means to control the burning of propellant. Vortices generated by the flow of propellant around the flexible inhibitors have been identified as a driving source of instabilities that can lead to thrust oscillations in launch vehicles. Potential coupling between the SRM thrust oscillations and structural vibration modes is an important risk factor in launch vehicle design. As a means to predict and better understand these phenomena, a multidisciplinary simulation capability that couples the NASA production CFD code, Loci/CHEM, with CFDRC's structural finite element code, CoBi, has been developed. This capability is crucial to the development of NASA's new space launch system (SLS). This paper summarizes the efforts in applying the coupled software to demonstrate and investigate fluid-structure interaction (FSI) phenomena between pressure waves and flexible inhibitors inside reusable solid rocket motors (RSRMs). The features of the fluid and structural solvers are described in detail, and the coupling methodology and interfacial continuity requirements are then presented in a general Eulerian-Lagrangian framework. The simulations presented herein utilize production level CFD with hybrid RANS/LES turbulence modeling and grid resolution in excess of 80 million cells. The fluid domain in the SRM is discretized using a general mixed polyhedral unstructured mesh, while full 3D shell elements are utilized in the structural domain for the flexible inhibitors. Verifications against analytical solutions for a structural model under a steady uniform pressure condition and under dynamic modal analysis show excellent agreement in terms of displacement distribution and eigenmode frequencies. The preliminary coupled results indicate that due to acoustic coupling, the dynamics of one of the more flexible inhibitors shift from its first modal frequency to the first acoustic frequency of the solid rocket motor. This insight could have profound implications for SRM and flexible inhibitor designs for current and future launch vehicles including SLS.

Yang, H. Q.↗

An Ultra-long Life, High-performance, Flexible Li-CO2Battery Based on Multifunctional Carbon Electrocatalysts

Integrating CO2 utilization and renewable energy delivery/storage, the rechargeable Li–CO2 battery has been considered as a promising candidate for next-generation secondary batteries. However, high-performance catalyst(s) for efficient formation and decomposition of the discharge product, Li2CO3, are an imperative part of a Li–CO2 battery. The development of flexible Li–CO2 batteries extends their applications into compliant and wearable devices/systems, but at the same time imposes a big challenge for battery fabrication and lifetime enhancement. In this study, a rechargeable quasi-solidus flexible Li–CO2 battery was designed and fabricated using highly active N,S-doped carbon nanotubes (N,S-doped CNTs) as the cathode catalyst, and a smart polymer gel as the flexible electrolyte. This newly-developed flexible Li–CO2 battery exhibited a capacity as high as 23560 mAh g−1 based on the catalyst mass and an ultra-long lifetime of up to 538 cycles with excellent mechanical flexibility. This work provides a platform for the design and development of high-performance flexible Li–CO2 batteries from low-cost, earth-abundant, carbon-based multifunctional cathode catalysts.

Superior stability↗

Development of Flexible Energy Storage Device for Wearable Electronics using All-organic Composites

As the demands and applications of wearable electronics increase, the need of power supply for wearable electronics becomes the critical issue. Both batteries and capacitors can be used as power supplier. In terms of energy storage device, capacitors have many advantages over the batteries, but have a lower energy storage density. To improve the energy density, composites, in which inorganic particles are embedded in a polymer matrix, have been identified as a promising approach to create the dielectrics with a higher energy storage density. The physics behind the composite approach is that the inorganics have a higher dielectric constant and polymers can stand with a higher electric field so that the composites can exhibit a relative dielectric constant and stand with a relative electric field. Therefore, the composites can exhibit a higher energy storage density. However, the embedment of inorganic particles into polymer severely reduces the flexibility of the polymer. To develop flexible energy storage ultracapacitors as an energy storage device for wearable electronics, an all-organic composite approach, in which a dielectric polymer is mixed with polar organic molecules, is introduced. It is experimentally found that by adding a small amount of polar organic molecules into dielectric polymers, the polymers exhibits a high dielectric constant and can stand with a higher electric field. More importantly, the flexibility of the all-organic composites is better than the polymer matrix. Therefore, the all-organic composites can be a strong and promising candidate for the development of flexible energy storage devices for the wearable electronics. In this study, three different dielectric polymers and three different polar molecules were studied. All the all-organic composite systems exhibit a significant improvement on the energy storage density. These new flexible energy storage devices are being developed to be fabricated with on-demandadditive electronics manufacturing processes, so that they can be fabricated when needed in space on the International Space Station and planned lunar habitat and other future missions. These flexible energy storage devices will provide the storage in concert with other printed power generation devices to allow crew health and structural health monitoring sensor devices and systems to be self-powered, not requiring any external power or batteries.

energy storage↗

Intelligent industrial demand response to increase grid flexibility and reliability: A review

The rapid transition toward renewable energy has introduced challenges in grid stability due to the intermittency of non-dispatchable sources like solar and wind. Industrial Demand Response (IDR) offers a promising, cost-effective solution that adjusts energy consumption patterns to align with supply, increases renewable utilization, and reduces costs. This review provides an updated analysis of IDR, sorting technologies into five categories: energy storage, scheduled energy usage, operational flexibility, on-site generation, and intelligent operations. Energy storage solutions, while requiring little flexibility, often have the longest payback periods. While slightly better, on-site generation also has longer payback periods, ranging from 5 to 20 years or more. Scheduled energy usage, operational flexibility, and intelligent operations allow significant peak reduction at lower capital costs but require greater flexibility. While 15–20 % peak reduction is within the range of all five categories, scheduled energy use and on-site energy generation are shown to have reductions of up to 70–80 % in select scenarios. Combining multiple IDR strategies from these five categories maximizes both financial and operational benefits. Synergistic approaches are shown to enhance grid stability while reducing costs. As the grid evolves, IDR will enable a more flexible, renewable-powered future that will benefit industrial facilities and the broader energy system.

Demand flexibility↗

Combining Theory and Experiment to Map the Atomic-Level Structure–Energy Pathways of Adsorbate-Mediated Phase Changes in a Cooperatively Flexible Metal–Organic Framework

An important subclass of metal–organic frameworks (MOFs) exhibits cooperative flexibility, wherein individual crystallites undergo global structural phase changes in response to external stimuli. Where cooperative flexibility results in reversible changes between crystalline states of distinct accessible porosity, these frameworks can exhibit rare yet desirable behaviors that cannot be explained by local dynamics alone. Yet, the chemical and structural origins of cooperative flexibility and how frameworks undergo these reversible phase changes at the atomic level remain poorly understood. Deliberate design for specific applications is therefore exceedingly difficult, and there is great impetus to develop a fundamental understanding of this phenomenon. Here, an effective and widely accessible computational approach is developed, which is designed to provide microscopic resolution via direct comparison to experimental data along the desorption-guided pathway. The strategy is applied to explain the desorption-induced phase change in an experimentally well-characterized framework, CdIF-13 (sod-Cd(benzimidazolate)2), where experiment alone was unable to resolve the atomistically detailed phase change landscape. Our findings reveal that the cooperative phase change pathways are adsorbate dependent with thermodynamics of intermediate structural states dictated by a nuanced interplay of ligand orientation, skeletal symmetry, and modes of surface adsorption. The results reveal that this isotropically flexible framework is “chaperoned” through a complex energy landscape by specific adsorbates, revealed by the reported computational approach with atomic-level insight and validated by experimentally determined structures. Thus, this work facilitates both understanding and future design of flexible materials for applications in gas storage, transport, delivery, and separation technologies.

03 NATURAL GAS↗