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DOE OSTI2026

Dynamic Interfacial Design in Adaptive Hybrid Materials Enables Reversible and Tunable Mechano-Optic Smart Responses

Next-generation polymeric materials are shifting toward adaptive and interactive behaviors of living systems; however, designing materials that can reversibly modulate optical properties under mechanical deformation while maintaining mechanical robustness remains a key challenge. Here, we report a mechanically robust vitrimer-based adaptive hybrid material (AHM) that exhibits a stretch-induced reversible transparency-to-opacity transition, enabled by the integration of dynamic interactions at the polymer–silica nanoparticle interface and controlled nanoparticle self-assembly. The AHM combines boronic ester–functionalized polystyrene-b-poly(ethylene-co-butylene)-b-polystyrene (S-Bpin) with diol-functionalized silica nanoparticles (diol-SiNPs) to form a hybrid network hosting both dynamic boronic ester and hydrogen-bonding interactions. These reversible linkages facilitate controlled nanoparticle self-assembly and enable strain-induced nanoparticle alignment/aggregation. Upon stretching, SiNP-rich domains align and aggregate within the polymer matrix, while local modulus mismatch between stiff aggregated SiNP/borylated-styrene-rich regions and the softer elastomeric midblock induces surface microwrinkle formation. These internal aggregates and surface wrinkles cooperatively enhance light scattering, producing the opaque state under strain. Furthermore, the tailored AHM exhibits high toughness, thermomechanical stability, reprocessability, and programmable shape-memory behavior. This work presents a dynamic interfacial design strategy for mechanically robust, optically reconfigurable, and reusable soft materials for adaptive optics, smart windows, sensing, soft robotics, and circular smart-material platforms.

adaptive hybrid materials↗

DOE OSTI2022

Systems and methods for designing new materials for superlubricity

A method for designing new materials for superlubricity comprises developing, on a computational system, a computational supercell comprising x unit cells of a base material, each unit cell comprising y atoms of the base material. The computational system replaces randomly chosen z atoms of the base material with an impurity atom of an impurity material to form a candidate material. The computational system determines volumetric strain of the candidate material. In response to the volumetric strain exceeding a predetermined threshold, the computational system determines that the candidate material has superlubricity. The computational system displays the candidate material to a user if the candidate material has superlubricity.

Narayanan, Badri↗

DOE OSTI2024

Exploiting universal nonlocal dispersion in optically active materials for spectro-polarimetric computational imaging

Recent years have seen significant advancements in exploring novel light-matter interactions such as hyperbolic dispersion within natural crystals. However, current studies have predominantly concentrated on local optical response of materials characterized by a dielectric tensor without spatial dispersion. Here, we investigate the nonlocal response in optically-active crystals with screw symmetries, revealing their lossless, super-dispersive properties compared to traditional optical response functions. We leverage this universal nonlocal dispersion, i.e. the dispersion of optical rotatory power, to explore a novel spectral de-multiplexing scheme compared to conventional gratings, prisms and metasurfaces. We design and demonstrate an ‘Nonlocal-Cam’ - a camera that exploits nonlocal dispersion through sampling of polarized spectral states and the application of computational spectral reconstruction algorithms. The Nonlocal-Cam captures information in both laboratory and outdoor field experiments which is unavailable to traditional intensity cameras - the spectral texture of polarization. Merging the fields of nonlocal electrodynamics and computational imaging, our work paves the way for exploiting nonlocal optics of optically active materials in a variety of applications, from biological microscopy to physics-driven machine vision and remote sensing.

Wang, Xueji [Purdue Univ., West Lafayette, IN (Uni↗

DOE OSTI2026

Understanding spectral dependance of laser-induced damage precursors in dielectric materials (Abbreviated report_23-ERD-006)

High peak and average power laser systems are typically limited by the handling fluence of the optical components. In particular, the multilayer dielectric coatings are known to be much lower operational fluence than the more ideal bulk materials. In this project we proposed and succeeded in probing different established classes of damage prone precursors at different wavelengths to understand their fundamental laser damage response as a function of wavelength. This study helped to shed light on the fundamental physics of the non-linear precursors that govern laser damage phenomena for ns-regime pulsed laser damage. In this study, we utilized the onsite coating capabilities (VPL, IBS coating lab) to purposefully generate laser damage-prone precursors in hafnia-based coatings (both single and multi-layer coatings). Specifically, we engineered coatings with craze lines initiated by nodules, generated coatings with our xenon-based coating process to suppress nanobubble formation and generated hafnia coatings under controlled oxygen flow conditions to study hafnia sub-oxides and oxygen flow dependance. In these studies we found that craze lines are rife with precursors that are sensitive to ultra-violet light but not to infrared light; we found that the removal of nanobubbles helps with all wavelengths tested, but is most impactful for ultra-violet light; we also found that ultra-violet laser damage performance of hafnia is closely matched to oxygen flow rate, while the infrared performance may be slightly better at lower flow rates. During this LDRD we also successfully stood up a new laser damage testing capability, namely a wavelength agile damage test station to study the spectral response of known laser-induced damage precursors. This is a unique and important capability for Lawrence Livermore National Lab, allowing us to understand the spectral response of materials under high intensity irradiation and damage. This is a vital tool to understand non-linear optical response at wavelengths that we have previously been unable to test at.

36 MATERIALS SCIENCE↗

NASA NTRS2010

Fast-Response-Time Shape-Memory-Effect Foam Actuators

Bulk shape memory alloys, such as Nitinol or CuAlZn, display strong recovery forces undergoing a phase transformation after being strained in their martensitic state. These recovery forces are used for actuation. As the phase transformation is thermally driven, the response time of the actuation can be slow, as the heat must be passively inserted or removed from the alloy. Shape memory alloy TiNi torque tubes have been investigated for at least 20 years and have demonstrated high actuation forces [3,000 in.-lb (approximately equal to 340 N-m) torques] and are very lightweight. However, they are not easy to attach to existing structures. Adhesives will fail in shear at low-torque loads and the TiNi is not weldable, so that mechanical crimp fits have been generally used. These are not reliable, especially in vibratory environments. The TiNi is also slow to heat up, as it can only be heated indirectly using heater and cooling must be done passively. This has restricted their use to on-off actuators where cycle times of approximately one minute is acceptable. Self-propagating high-temperature synthesis (SHS) has been used in the past to make porous TiNi metal foams. Shape Change Technologies has been able to train SHS derived TiNi to exhibit the shape memory effect. As it is an open-celled material, fast response times were observed when the material was heated using hot and cold fluids. A methodology was developed to make the open-celled porous TiNi foams as a tube with integrated hexagonal ends, which then becomes a torsional actuator with fast response times. Under processing developed independently, researchers were able to verify torques of 84 in.-lb (approximately equal to 9.5 Nm) using an actuator weighing 1.3 oz (approximately equal to 37 g) with very fast (less than 1/16th of a second) initial response times when hot and cold fluids were used to facilitate heat transfer. Integrated structural connections were added as part of the net shape process, eliminating the need for welding, adhesives, or mechanical crimping. Inexpensive net-shape processing was used, which reduces the cost of the actuator by over a factor of 10 over nonporous TiNi made by hot drawing of tube or electrical discharge machining. By forming the alloy as an open-celled foam, the surface area for heat transfer is dramatically increased, allowing for much faster response times. The technology also allows for netshape fabrication of the actuator, which allows for structural connections to be integrated into the actuator material, making these actuators significantly less expensive. Commercial applications include actuators for concepts such as the variable area chevron and nozzle in jet aircraft. Lightweight tube or rod components can be supplied to interested parties.

Jardine, Peter↗

DOE OSTI2019

Origin of Pyroelectricity in Ferroelectric HfO 2

The pyroelectric response of materials is a promising phenomenon that is used in many applications. In this paper, we report first-principles lattice dynamics and ab initio molecular dynamics calculations to investigate the mechanisms of the pyroelectric effect in the Pca2 1 orthorhombic phase of HfO 2 ; this is an emerging pyroelectric material with promising technological applications. With first-principles lattice dynamics calculations, we demonstrate a large pyroelectric response that is intrinsic to the pure Pca21 orthorhombic phase. Unlike most conventional ferroelectric pyroelectrics, such large pyroelectricity arises unexpectedly from the secondary effect (induced by the negative longitudinal piezoelectric effect) that has not received due attention. Ab initio molecular dynamics simulations further demonstrate a giant pyroelectric response that is associated with an orthorhombic (polar) to tetragonal (nonpolar) structural phase transition. Upon the incorporation of Si dopants with increasing dopant concentrations, the phase transition persists, but occurs at reduced temperatures with enhanced pyroelectric responses. The present work highlights the importance of the secondary pyroelectric effect responsible for the pyroelectricity in HfO 2 and its promising potential for device applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRSDate not supplied

Electromagnetic Thermocouple (TC) Anomaly Mechanisms During Atmospheric Entry

Thermocouples (TCs) are a critical diagnostic sensor for high enthalpy environments including Thermal Protection Systems (TPS) for atmospheric entry, hypersonic wind tunnels, and arc jet test facilities. They are used for both evaluating facility environmental conditions (enthalpy, and heat flux) as well as for measuring in-situ material thermal response under test conditions (thermal conductivity, heat capacity, etc.). Consequently, accurate TC measurements are fundamental for both material and facility Verification and Validation (V&V). However, a number of electromagnetic TC anomalies have been observed in both ground tests and flight instrumentations. These anomalies are caused via various coupling mechanisms: surface voltage coupling, Hall effect currents, and RF rectification. All of these mechanisms can, if unaddressed, result in obviously compromised results or worse, non-physical measurements which appear reasonable. This talk will provide an overview of each of these anomaly mechanisms and discuss ongoing efforts to quantify and mitigate them.

Magnus Haw↗

DOE OSTI2018

Distributed Acoustic Sensing (DAS) of Strain at Earth Tide Frequencies: Laboratory Tests

The solid Earth strains in response to the gravitational pull from the Moon, Sun, and other planetary bodies. Measuring the flexure of geologic material in response to these Earth tides provides information about the geomechanical properties of rock and sediment. Such measurements are particularly useful for understanding dilation of faults and fractures in competent rock. A new approach to measuring earth tides using fiber optic distributed acoustic sensing (DAS) is presented here. DAS was originally designed to record acoustic vibration through the measurement of dynamic strain on a fiber optic cable. Here, laboratory experiments demonstrate that oscillating strain can be measured with DAS in the microHertz frequency range, corresponding to half-day (M2) lunar tidal cycles. Although the magnitude of strain measured in the laboratory is larger than what would be expected due to earth tides, a clear signal at half-day period was extracted from the data. With the increased signal-to-noise expected from quiet field applications and improvements to DAS using engineered fiber, earth tides could potentially be measured in deep boreholes with DAS. Because of the distributed nature of the sensor (0.25 m measurement interval over kilometers), fractures could be simultaneously located and evaluated. Such measurements would provide valuable information regarding the placement and stiffness of open fractures in bedrock. Characterization of bedrock fractures is an important goal for multiple subsurface operations such as petroleum extraction, geothermal energy recovery, and geologic carbon sequestration.

15 GEOTHERMAL ENERGY↗

DOE OSTI2019

Distributed Acoustic Sensing of Strain at Earth Tide Frequencies

The solid Earth strains in response to the gravitational pull from the Moon, Sun, and other planetary bodies. Measuring the flexure of geologic material in response to these Earth tides provides information about the geomechanical properties of rock and sediment. Such measurements are particularly useful for understanding dilation of faults and fractures in competent rock. A new approach to measuring earth tides using fiber optic distributed acoustic sensing (DAS) is presented here. DAS was originally designed to record acoustic vibration through the measurement of dynamic strain on a fiber optic cable. Here, laboratory experiments demonstrate that oscillating strain can be measured with DAS in the microHertz frequency range, corresponding to half-day (M2) lunar tidal cycles. Although the magnitude of strain measured in the laboratory is larger than what would be expected due to earth tides, a clear signal at half-day period was extracted from the data. With the increased signal-to-noise expected from quiet field applications and improvements to DAS using engineered fiber, earth tides could potentially be measured in deep boreholes with DAS. Because of the distributed nature of the sensor (0.25 m measurement interval over kilometres), fractures could be simultaneously located and evaluated. Such measurements would provide valuable information regarding the placement and stiffness of open fractures in bedrock. Characterization of bedrock fractures is an important goal for multiple subsurface operations such as petroleum extraction, geothermal energy recovery, and geologic carbon sequestration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRSDate not supplied

A survey of thermocouple anomalies: mechanisms, interpretation, and mitigation

Thermocouples (TCs) are a critical diagnostic sensor for high enthalpy environments including thermal protection systems (TPS) for atmospheric re-entry, hypersonic wind tunnels, and arc jet test facilities. They are used for both evaluating facility environmental conditions (enthalpy, heat flux) as well as for measuring in-situ material thermal response under test conditions (thermal conductivity, heat capacity, B’, etc.). Consequently, accurate TC measurements are fundamental for both material and facility verification and validation (V&V). However, a number of TC anomalies have been observed in both ground tests and flight instrumentation. These anomalies are caused via various coupling mechanisms: electrostatic gradients, temperature-dependent electrical shorts, radio pickup, magnetic induction, and pressure-dependent leaks. All of these mechanisms can, if unaddressed, result in obviously compromised results or worse, non-physical measurements which appear reasonable. This work will survey known anomaly mechanisms and discuss ongoing efforts to quantify and mitigate anomaly mechanisms including anomaly modeling, diagnostics, and new TC designs/development.

thermocouple anomalies↗

NASA NTRSDate not supplied

A Survey of Thermocouple Anomalies: Mechanisms, Interpretation, and Mitigation

Thermocouple Anomalies↗

DOE OSTI2017

Visible scintillation photodetector device incorporating chalcopyrite semiconductor crystals

A photodetector device, including: a scintillator material operable for receiving incident radiation and emitting photons in response; a photodetector material coupled to the scintillator material operable for receiving the photons emitted by the scintillator material and generating a current in response, wherein the photodetector material includes a chalcopyrite semiconductor crystal; and a circuit coupled to the photodetector material operable for characterizing the incident radiation based on the current generated by the photodetector material. Optionally, the scintillator material includes a gamma scintillator material and the incident radiation received includes gamma rays. Optionally, the photodetector material is further operable for receiving thermal neutrons and generating a current in response. The circuit is further operable for characterizing the thermal neutrons based on the current generated by the photodetector material.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Some Observations About the Drop-weight Explosive Sensitivity Test

The apparent simplicity of the drop-weight apparatus for explosive sensitivity testing hides the reality that it is actually a complex integrated test of both ignition and growth of deflagration. Although the drop-weight test is undeniably a useful screening test for explosive properties, a misunderstanding of the technique’s limitations has blinded many researchers to its limited wider applicability. This monograph discusses how the test actually works, the significant engineering difficulties with standardization between machines, which types of explosives are suited to the test and which are not, and finally offers a few suggestions for alternatives when a more quantified understanding of a material’s response is required for other applications.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Role of composition, bond covalency, and short-range order in the disordering of stannate pyrochlores by swift heavy ion irradiation

A 2 Sn 2 O 7 (A = Nd, SM, Gd, Er, Yb, and Y) materials with the pyrochlore structure were irradiated with 2.2 GeV Au ions to systematically investigate disordering of this system in response to dense electronic excitation. Structural modifications were characterized, over multiple length scales, by transmission electron microscopy, x-ray diffraction, and Raman spectroscopy. Transformations to amorphous and disordered phases were observed, with disordering dominating the structural response of materials with small A -site cation ionic radii. Both the disordered and amorphous phases were found to possess weberite-type local ordering, differing only in that the disordered phase exhibits a long-range, modulated arrangement of weberite-type structural units into an average defect-fluorite structure, while the amorphous phase remains fully aperiodic. Comparison with the behavior of titanate and zirconate pyrochlores showed minimal influence of the high covalency of the Sn-O bond on this phase behavior. Finally, an analytical model of damage accumulation was developed to account for simultaneous amorphization and recrystallization of the disordered phase during irradiation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRSDate not supplied

Uranus Probe Entry and Descent Mission Concept

Introduction: Uranus was identified as the third highest priority flagship mission in the 2012-2022 Planetary Science Decadal Survey. This latest concept study was requested by the Decadal Survey panel to determine NASA’s planetary science priorities from 2022-2032. This study focused on the probe’s entry and descent aspects and associated trades for viable trajectory options. Uranus Mission and Descent Probe: The proposed Uranus Orbiter and Probe (UOP) Flagship mission will investigate Uranus and its surrounding moons using an orbiting spacecraft with a Uranus descent probe. Unlike previous studies the probe release will occur after orbit insertion allowing sufficient separation of critical events during the orbit insertion burn. The probe will be released at an altitude that allows one hour of in situ atmospheric readings that will be relayed to the orbiter. Afterwards the orbiter will transition to the moon tour phase of the mission. The configuration chosen for the entry aeroshell was a 45° sphere-cone. This shape has been used in the past in the Pioneer Venus Galileo missions. However, the nose radius considered in the present study differed from the values used in either of the previous configurations, primarily to reduce the heat flux at the stagnation point. A two-step approach was used in the development of flight trajectories for the chosen configuration. In the first step, the trajectory code POST2 was used to screen the thousands of entry states provided by interplanetary trajectory simulations, which were terminated at an altitude of 2000 km from the reference surface (1 bar) of Uranus. The screening criteria were: (i) optimization of the communication geometry between the entry probe and orbiter to ensure at least 1 hour of science measurements, (ii) peak stagnation point pressures to be less than six bar, (iii) peak heat fluxes to be less than 5 kW/cm2; the latter two constraints being the limits of ground-test capabilities of the arc jets at NASA Ames Research Center. The entry team investigated two trajectories that met the criteria above, a shallow entry (high heat load ~44 kJ/cm2) and a steeper entry (high heat rate ~1950 W/cm2). In the second step, the two bounding candidate entry states from the POST2 screening process were used in developing flight trajectories using TRAJ coupled with FIAT (a materials thermal response and sizing code) and a margins policy to determine a margined uniform thickness (hence mass) of the forward heatshield material based on the aerothermal environments at the stagnation point. Since the combination of TRAJ and FIAT size the TPS based on stagnation point environments only, flow field computations using DPLR were necessary to determine turbulent aerothermal environments on the conical flank, and the augmentation of these environments due to surface roughness. The environments at select locations on the forward heatshield were then used to size the thermal protection material, with the largest thickness value then used to estimate the mass. The newly developed woven thermal protection material –HEEET (Heatshield for Extreme Entry Environments Technology) –was considered for the forward heatshield and PICA (Phenolic-Impregnated Carbon Ablator) was considered for the backshell. These NASA-developed materials are at TRL 6 and TRL 9, respectively. Furthermore, two options were considered for the HEEET material: (i) a dual-layer option with a denser recession layer on top and an insulative layer underneath it, and (ii) a single layer option consisting of the insulative layer alone. Results: It is clear that probe entry states are feasible and the selected TPS options are able to perform in the predicted aerothermal environments thus enabling the mission to meet of the descent probe portion of this flagship mission

Entry Descent and Landing↗

NASA NTRS1976

Environmental charging of spacecraft surfaces: Tests of thermal control materials for use on the global positioning system flight space vehicle. Part 1: Specimens 1 to 5

The NASA/USAF program on Environmental Charging of Spacecraft Surfaces consists of experimental efforts directed toward evaluating the response of materials to the environmental charged particle flux. Samples of thermal blankets and second surface mirrors of the type to be used on the Global Positioning System Flight Space Vehicle were tested to determine their response to electron flux. The primary result observed was that the ground connection of the metal layers of the blanket, as made by the baseline grounding technique using serrated washers and grommets, deteriorated with time at test. The discharges observed on the blankets were the glow type, not the 'lightning' strike observed on past specimens. Testing was performed at ambient laboratory temperatures.

Stevens, N. J.↗

DOE OSTI2011

ASC PEM Materials Modeling Overview: Focus on Predicting Response of Metals [Slides]

In general, the large / high rate deformation process involves high pressure and temperature, finite elasticity, phase change, localization, porosity initiation, porosity growth, and coalescence dominated by localized deformation. These physical events are statistical, coupled, occur over several length scales, and intimately involves the microstructure. Understanding these complex thermo-mechanical processes is critical to our ability to numerically represent and predict these deformation events. ASC Materials is generally responsible for the modeling of 12-15 different metallic materials subjected to a broad range of conditions. This talk discusses current approaches and unanswered questions in the areas of high rate strength, phase transformations, and damage and failure.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Complex Functional Materials

Complex functional materials are materials comprised of multiple components or building blocks that are integrated or chemically bound together to achieve a desired function or response. Soft materials, such as polymers, as well as structural properties at the mesoscale and micro-scale that control materials function are particularly emphasized in this area of leadership. Further, complex functional materials must generally be developed to satisfy multiple criteria essential to the overall application. Thus, this area of leadership supports applications that are aligned with all three Los Alamos National Laboratory mission areas of energy security, global security, and nuclear deterrence.

36 MATERIALS SCIENCE↗