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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Light-induced electronic polarization in antiferromagnetic Cr 2 O 3

In a solid, the electronic subsystem can exhibit incipient order with lower point group symmetry than the crystal lattice. Ultrafast external fields that couple exclusively to electronic order parameters have rarely been investigated, however, despite their potential importance in inducing exotic effects. Here we show that when inversion symmetry is broken by the antiferromagnetic order in Cr 2 O 3 , transmitting a linearly polarized light pulse through the crystal gives rise to an in-plane rotational symmetry-breaking (from C 3 to C 1 ) via optical rectification. Using interferometric time-resolved second harmonic generation, we show that the ultrafast timescale of the symmetry reduction is indicative of a purely electronic response; the underlying spin and crystal structures remain unaffected. The symmetry-broken state exhibits a dipole moment, and its polar axis can be controlled with the incident light. Furthermore, our results establish a coherent nonlinear optical protocol by which to break electronic symmetries and produce unconventional electronic effects in solids.

36 MATERIALS SCIENCE↗
NASA NTRS1995

Retrieval of water vapor mixing ratios from a laser-based sensor

Langley Research Center has developed a novel external path sensor which monitors water vapor along an optical path between an airplane window and reflective material on the plane's engine. An infrared tunable diode laser is wavelength modulated across a water vapor absorption line at a frequency f. The 2f and DC signals are measured by a detector mounted adjacent to the laser. The 2f/DC ratio depends on the amount of wavelength modulation, the water vapor absorption line being observed, and the temperature, pressure, and water vapor content of the atmosphere. The present work concerns efforts to quantify the contributions of these factors and to derive a method for extracting the water vapor mixing ratio from the measurements. A 3 m cell was fabricated in order to perform laboratory tests of the sensor. Measurements of 2f/DC were made for a series of pressures and modulation amplitudes. During my 1994 faculty fellowship, a computer program was created which allowed 2f/DC to be calculated for any combination of the variables which effect it. This code was used to generate 2f/DC values for the conditions measured in the laboratory. The experimental and theoretical values agreed to within a few percent. As a result, the laser modulation amplitude can now be set in the field by comparing the response of the instrument to the calculated response as a function of modulation amplitude. Once the validity of the computer code was established, it was used to investigate possible candidate absorption lines. 2f/DC values were calculated for pressures, temperatures, and water vapor mixing ratios expected to be encountered in future missions. The results have been incorporated into a database which will be used to select the best line for a particular mission. The database will also be used to select a retrieval technique. For examples under some circumstances there is little temperature dependence in 2f/DC so temperature can be neglected. In other cases, there is a dependence with temperature for a particular pressure, requiring a more complicated retrieval algorithm. Future experimental work is necessary to test agreement with the theoretical values over a range of temperatures and mixing ratios. Additionally, retrieval algorithms for forthcoming missions must be incorporated into the software package which controls the instrument.

Tucker, George F.↗
DOE OSTI2023

Theoretical investigations on Kerr and Faraday rotations in topological multi-Weyl Semimetals

Motivated by the recent proposal of giant Kerr rotation in WSMs, we investigate the Kerr and Faraday rotations in time-reversal broken multi-Weyl semimetals (mWSMs) in the absence of an external magnetic field. Using the framework of Kubo response theory, we find that both the longitudinal and transverse components of the optical conductivity in mWSMs are modified by the topological charge ( n n ). Engendered by the optical Hall conductivity, we show in the thin film limit that, while the giant Kerr rotation and corresponding ellipticity are independent of n n , the Faraday rotation and its ellipticity angle scale as n n and n^2 n 2 , respectively. In contrast, the polarization rotation in semi-infinite mWSMs is dominated by the axion field showing n n dependence. In particular, the magnitude of Kerr (Faraday) angle decreases (increases) with increasing n n in Faraday geometry, whereas in Voigt geometry, it depicts different n n -dependencies in different frequency regimes. The obtained results on the behavior of polarization rotations in mWSMs could be used in experiments as a probe to distinguish single, double, and triple WSMs, as well as discriminate the surfaces of mWSMs with and without hosting Fermi arcs.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Dipolar spin wave packet transport in a van der Waals antiferromagnet

Antiferromagnets are promising platforms for transduction and transmission of quantum information via magnons—the quanta of spin waves—and they offer advantages over ferromagnets in regard to dissipation, speed of response and robustness to external fields. Recently, transduction was shown in a van der Waals antiferromagnet, where strong spin-exciton coupling enables readout of the amplitude and phase of coherent magnons by photons of visible light. This discovery shifts the focus of research to transmission, specifically to exploring the non-local interactions that enable magnon wave packets to propagate. Here we demonstrate that magnon propagation is mediated by long-range dipole–dipole interaction. This coupling is an inevitable consequence of fundamental electrodynamics and, as such, will likely mediate the propagation of spin at long wavelengths in the entire class of van der Waals magnets currently under investigation. In conclusion, successfully identifying the mechanism of spin propagation provides a set of optimization rules, as well as caveats, that are essential for any future applications of these promising systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2000

Turbine Airfoil With CMC Leading-Edge Concept Tested Under Simulated Gas Turbine Conditions

Silicon-based ceramics have been proposed as component materials for gas turbine engine hot-sections. When the Navy s Harrier fighter experienced engine (Pegasus F402) failure because of leading-edge durability problems on the second-stage high-pressure turbine vane, the Office of Naval Research came to the NASA Glenn Research Center at Lewis Field for test support in evaluating a concept for eliminating the vane-edge degradation. The High Pressure Burner Rig (HPBR) was selected for testing since it could provide temperature, pressure, velocity, and combustion gas compositions that closely simulate the engine environment. The study focused on equipping the stationary metal airfoil (Pegasus F402) with a ceramic matrix composite (CMC) leading-edge insert and evaluating the feasibility and benefits of such a configuration. The test exposed the component, with and without the CMC insert, to the harsh engine environment in an unloaded condition, with cooling to provide temperature relief to the metal blade underneath. The insert was made using an AlliedSignal Composites, Inc., enhanced HiNicalon (Nippon Carbon Co. LTD., Yokohama, Japan) fiber-reinforced silicon carbide composite (SiC/SiC CMC) material fabricated via chemical vapor infiltration. This insert was 45-mils thick and occupied a recessed area in the leading edge and shroud of the vane. It was designed to be free floating with an end cap design. The HPBR tests provided a comparative evaluation of the temperature response and leading-edge durability and included cycling the airfoils between simulated idle, lift, and cruise flight conditions. In addition, the airfoils were aircooled, uniquely instrumented, and exposed to the exact set of internal and external conditions, which included gas temperatures in excess of 1370 C (2500 F). In addition to documenting the temperature response of the metal vane for comparison with the CMC, a demonstration of improved leading-edge durability was a primary goal. First, the metal vane was tested for a total of 150 cycles. Both the leading edge and trailing edge of the blade exhibited fatigue cracking and burn-through similar to the failures experienced in service by the F402 engine. Next, an airfoil, fitted with the ceramic leading edge insert, was exposed for 200 cycles. The temperature response of those HPBR cycles indicated a reduced internal metal temperature, by as much as 600 F at the midspan location for the same surface temperature (2100 F). After testing, the composite insert appeared intact, with no signs of failure on either the vane s leading or trailing edge. Only a slight oxide scale, as would be expected, was noted on the insert. Overall, the CMC insert performed similarly to a thick thermal barrier coating. With a small air gap between the metal and the SiC/SiC leading edge, heat transfer from the CMC to the metal alloy was low, effectively lowering the temperatures. The insert's performance has proven that an uncooled CMC can be engineered and designed to withstand the thermal up-shock experienced during the severe lift conditions in the Pegasus engine. The design of the leading-edge insert, which minimized thermal stresses in the SiC/SiC CMC, showed that the CMC/metal assembly can be engineered to be a functioning component.

Robinson, R. Craig↗
DOE OSTI2021

Single-Particle Studies Reveal a Nanoscale Mechanism for Elastic, Bright, and Repeatable ZnS:Mn Mechanoluminescence in a Low-Pressure Regime

Mechanoluminescent materials, which emit light in response to elastic deformation, are demanded for use as in situ stress sensors. ZnS doped with Mn is known to exhibit one of the lowest reported thresholds for appearance of mechanoluminescence, with repeatable light emission under contact pressure <10 MPa. Here, the physical basis for such behavior remains as yet unclear. Here, reliable microscopic detection of mechanoluminescence of single ZnS:Mn microparticles, in combination with nanoscale structural characterization, provides evidence that the mechanoluminescent properties of these particles result from interplay between a non-centrosymmetric crystal lattice and its defects, viz., dislocations and stacking faults. Statistical analysis of the distributions of mechanoluminescence energy release trajectories reveals two distinct mechanisms of excitation: one attributable to a piezo-phototronic effect and the other due to dislocation motion. At pressures below 8.1 MPa, both mechanisms contribute to mechanoluminescent output, with a dominant contribution from the piezo-phototronic mechanism. In contrast, above 8.1 MPa, dislocation motion is the primary excitation source. For the piezo-phototronic mechanism, we propose a specific model that accounts for elastic ZnS:Mn mechanoluminescence under very low pressure. The charged interfaces in stacking faults lead to the presence of filled traps, which otherwise would be empty in the absence of the built-in electric field. Upon application of external stress, local enhancement of the piezoelectric field at the stacking faults’ interfaces facilitates release of the trapped carriers and subsequent luminescence. This field enhancement explains how <10 MPa pressure produces thousands of photons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Electron Weibel instability induced magnetic fields in optical-field ionized plasmas

Generation and amplification of magnetic fields in plasmas is a long-standing topic that is of great interest to both plasma and space physics. The electron Weibel instability is a well-known mechanism responsible for self-generating magnetic fields in plasmas with temperature anisotropy and has been extensively investigated in both theory and simulations, yet experimental verification of this instability has been challenging. Recently, we demonstrated a new experimental platform that enables controlled initialization of highly nonthermal and/or anisotropic plasma electron velocity distributions via optical-field ionization. Using an external electron probe bunch from a linear accelerator, the onset, saturation, and decay of the self-generated magnetic fields due to electron Weibel instability were measured for the first time to our knowledge. In this paper, we will first present experimental results on time-resolved measurements of the Weibel magnetic fields in non-relativistic plasmas produced by Ti:Sapphire laser pulses (0.8 μm) and then discuss the feasibility of extending the study to a quasi-relativistic regime by using intense CO 2 (e.g., 9.2 μm) lasers to produce much hotter plasmas.

36 MATERIALS SCIENCE↗
NASA NTRS2000

Packaging Technology Developed for High-Temperature SiC Sensors and Electronics

A ceramic- and thick-film-materials-based prototype electronic package designed for silicon carbide (SiC) high-temperature sensors and electronics has been successfully tested at 500 C in an oxygen-containing air environment for 500 hours. This package was designed, fabricated, assembled, and electronically evaluated at the NASA Glenn Research Center at Lewis Field with an in-house-fabricated SiC semiconductor test chip. High-temperature electronics and sensors are necessary for harsh-environment space and aeronautical applications, such as space missions to the inner solar system or the emission control electronics and sensors in aeronautical engines. Single-crystal SiC has such excellent physical and chemical material properties that SiC-based semiconductor electronics can operate at temperatures over 600 C, which is significantly higher than the limit for Si-based semiconductor devices. SiC semiconductor chips were recently demonstrated to be operable at temperatures as high as 600 C, but only in the probe station environment because suitable packaging technology for sensors and electronics at temperatures of 500 C and beyond did not exist. Thus, packaging technology for SiC-based sensors and electronics is immediately needed for both application and commercialization of high-temperature SiC sensors and electronics. In response to this need, researchers at Glenn designed, fabricated, and assembled a prototype electronic package for high-temperature electronics, sensors, and microelectromechanical systems (MEMS) using aluminum nitride (AlN) substrate and gold (Au) thick-film materials. This prototype package successfully survived a soak test at 500 C in air for 500 hours. Packaging components tested included thick-film high-temperature metallization, internal wire bonds, external lead bonds, and a SiC diode chip die-attachment. Each test loop, which was composed of thick-film printed wire, wire bond, and lead bond was subjected to a 50-mA direct current for 250 hours at 500 C.

Chen, Liang-Yu↗
NASA NTRS2018

Implementation of J-A Methodology Elastic-Plastic Crack Instability Analysis Capability into the WARP-3D Code

Characterization of the near crack-tip stress/strain fields is the foundation of fracture mechanics. The description of the near tip stress field and the prediction of when fracture occurs is well established for brittle materials that exhibit linear elastic behavior. However, in ductile materials or conditions that violate linear elastic assumptions (Aluminum alloys, Al 2024-T3, Al 2024- T351 etc.), the elastic-plastic crack-tip stress fields are characterized by the Hutchison-Rice-Rosengren (HRR) field. The J-integral is commonly used to characterize amplitude of the HRR field under elastic-plastic conditions. The J-integral has been demonstrated for crack-tip fields that are under high constraint conditions (i.e., small-scale plasticity where the J-dominance is maintained). However, as the external load increases, yielding changes from small- to largescale plasticity and usually a loss of constraint (i.e., reduction in the triaxial stress field along the crack front). The loss of constraint leads to the deviation of the crack-tip stress fields from that given by the HRR field. Hence, the J-dominance will be gradually lost and additional parameter(s) are required to quantify the crack-tip stress fields and predict fracture behavior. The assessment objectives were to: 1) implement a two-parameter (i.e., J-A) fracture criterion into an elastic-plastic three-dimensional (3D) finite element analysis (FEA), 2) validate the implementation by comparison with the A parameter from literature data, 3) conduct material characterization tests to quantify the material behavior and provide fracture data for validation of the J-A fracture criteria, and (4) perform evaluations to establish if the J-A criteria can be used to predict fracture in a ductile metallic material (e.g., aluminum alloys). The A parameter in these criteria is the second parameter in a three-term elastic-plastic asymptotic expansion of the neartip stress behavior. A series of extensive FEAs were performed using WARP3D software package to obtain solutions for the A parameter for different specimen configurations. The methodology needed for the estimation of the A parameter in the asymptotic expansion was developed and implemented using Matlab®. A user material (UMAT) routine was used to model the material stress-strain response using a Ramberg-Osgood power law with a hardening exponent (n) and a material coefficient (alpha). This UMAT routine was successfully implemented in WARP3D software and validated through comparison with the experimental data. Three configurations were extracted from published results: 1) center cracked plate (CCP), 2) single edge-cracked plate (SECP), and 3) double edge-cracked plate (DECP). These configurations and four other configurations (three-hole tension (THT)), three-point bend (3PTB), three-hole compact tension (3PCT), and compact tension (CT)) were analyzed to verify the methodology that was developed and implemented into WARP3D. Solutions of the A parameter were obtained for remote tension loading conditions that started with small-scale yielding and continued into the large-scale plasticity regime. The results indicate that the methodology developed can be used to calculate the elastic-plastic J-A parameters for test specimens with a range of crack geometries, material strain hardening behaviors, and loading conditions. The J-A parameters were implemented as fracture criteria and used to predict the test results. For comparison, other fracture criteria were used to predict the same test results. Major findings include: The A constraint parameter A varies with specimen type and applied load thus accurate determination is crucial in predicting the failure load, and the A parameter is asymptotic as the failure load is approached, making an accurate determination difficult (i.e., small differences in the A parameter can cause large variations in failure load) for materials exhibiting elastic-plastic behavior. The failure predictions from J-A methodology were more accurate than the traditionally used KC and J methods, and have comparable scatter to that observed when using the crack-tip opening angle (CTOA) method. However, the J-A methodology requires considerable effort (expertise level and labor) to implement and to evaluate the A parameter for different specimen types and materials, or to apply this methodology to part-through crack (e.g., 3D problems) structural applications.

Hamm, Kenneth R., Jr.↗
DOE OSTI2020

Intrinsic Photoconductivity of few-layered ZrS 2 Phototransistors via Multiterminal Measurements

We report intrinsic photoconductivity studies on one of the least examined layered compounds, ZrS 2 .Few-atomic layer ZrS 2 field-effect transistors were fabricated on the Si/SiO 2 substrate and photoconductivity measurements were performed using both two- and four-terminal configurations under the illumination of 532 nm laser source. We measured photocurrent as a function of the incident optical power at several source-drain (bias) voltages. We observe a significantly large photoconductivity when measured in the multiterminal (four-terminal) configuration compared to that in the two-terminal configuration. For an incident optical power of 90 nW, the estimated photosensitivity and the external quantum efficiency (EQE) measured in two-terminal configuration are 0.5 A/W and 120%, respectively, under a bias voltage of 650 mV. Under the same conditions, the four-terminal measurements result in much higher values for both the photoresponsivity (R) and EQE to 6 A/W and 1400%, respectively. This significant improvement in photoresponsivity and EQE in the four-terminal configuration may have been influenced by the reduction of contact resistance at the metal-semiconductor interface, which greatly impacts the carrier mobility of low conducting materials. This suggests that photoconductivity measurements performed through the two-terminal configuration in previous studies on ZrS 2 and other 2D materials have severely underestimated the true intrinsic properties of transition metal dichalcogenides and their remarkable potential for optoelectronic applications.

36 MATERIALS SCIENCE↗
NASA NTRS1996

Design and Performance Improvements of the Prototype Open Core Flywheel Energy Storage System

A prototype magnetically suspended composite flywheel energy storage (FES) system is operating at the University of Maryland. This system, designed for spacecraft applications, incorporates recent advances in the technologies of composite materials, magnetic suspension, and permanent magnet brushless motor/generator. The current system is referred to as an Open Core Composite Flywheel (OCCF) energy storage system. This paper will present design improvements for enhanced and robust performance. Initially, when the OCCF prototype was spun above its first critical frequency of 4,500 RPM, the rotor movement would exceed the space available in the magnetic suspension gap and touchdown on the backup mechanical bearings would occur. On some occasions it was observed that, after touchdown, the rotor was unable to re-suspend as the speed decreased. Additionally, it was observed that the rotor would exhibit unstable oscillations when the control system was initially turned on. Our analysis suggested that the following problems existed: (1) The linear operating range of the magnetic bearings was limited due to electrical and magnetic saturation; (2) The inductance of the magnetic bearings was affecting the transient response of the system; (3) The flywheel was confined to a small movement because mechanical components could not be held to a tight tolerance; and (4) The location of the touchdown bearing magnifies the motion at the pole faces of the magnetic bearings when the linear range is crucial. In order to correct these problems an improved design of the flywheel energy storage system was undertaken. The magnetic bearings were re-designed to achieve a large linear operating range and to withstand load disturbances of at least 1 g. The external position transducers were replaced by a unique design which were resistant to magnetic field noise and allowed cancellation of the radial growth of the flywheel at high speeds. A central rod was utilized to ensure the concentricity of the magnetic bearings, the motor/generator, and the mechanical touchdown bearings. In addition, the mechanical touchdown bearings were placed at two ends of the magnetic bearing stack to restrict the motion at pole faces. A composite flywheel was made using a multi-ring interference assembled design for a high specific energy density. To achieve a higher speed and better efficiency, a permanent magnet DC brushless motor was specially designed and fabricated. A vacuum enclosure was constructed to eliminate windage losses for testing at high speeds. With the new improvements the OCCF system was tested to 20,000 RPM with a total stored energy of 15.9 WH and an angular momentum of 54.8 N-m-s (40.4 lb-ft-s). Motor current limitation, caused by power loss in the magnetic bearings, was identified as causing the limit in upper operating speed.

Pang, D.↗
DOE OSTI2024

Molecular Dynamics Study of the Effect of Grafting Density on Ion Diffusivity in a MARTINI Coarse-Grained Strong Polyelectrolyte Brush

Because surface-grafted polyelectrolyte brushes (PEBs) are responsive to external stimuli, such as electric fields and ionic strength, PEBs are attractive for applications ranging from drug delivery to separation technologies. Essential to PEB utilization is understanding how critical parameters like grafting density (σ) impact the PEB structure and the dynamics of the PEB and counterions. To study the effect of σ on PEB and the counterion structure and dynamics, we fine-tune a coarse-grained model that retains the chemical specificity of a strong polyelectrolyte, poly[(2-(methacryloyloxy)ethyl) trimethylammonium chloride] (PMETAC), using the MARTINI force field. Using “salt-free” conditions where the counterion concentration balances the charge on the brush, we build coarse-grained (CG) molecular dynamics simulations for MARTINI PMETAC brushes (N = 150 monomers; M W = 31.2 kg/mol) at experimentally relevant values of σ = 0.05, 0.10, 0.20, and 0.40 chains/nm 2 . Using 5 μs simulations, we investigate the effects of grafting density on the PEB structure, ion dissociation dynamics, polymer mobility, and counterion diffusivity. Results show that competition between electrostatic interactions, steric hindrance, and polymer mobility controls counterion diffusivity. Finally, the interplay of these factors leads to diffusivity that depends non-monotonically on σ, with counterion diffusivity peaking at an intermediate σ = 0.10 chains/nm 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2023

Manipulation of self-organized multi-vortical states in active magnetic roller suspensions

Ensembles of active magnetic colloids demonstrate complex collective behavior and self-organization when driven out of equilibrium by external magnetic fields. The interplay between magnetic and hydrodynamic interactions often result in spontaneous self-assembly and the emergence of localized vortices in ensembles of ferromagnetic rollers. We report experimental and computational study of the self-organized multi-vortical state in ensembles of magnetic rollers under the imposed external confining potential realized by patterned substrates. We explore the behavior of the system on a substrate patterned with shallow wells ordered in a lattice with square symmetry and lattice spacing smaller than the wells’ diameter. Here we demonstrate, that ensembles of active magnetic rollers evolve in response to changes in the geometry of the confining lattice from a globally correlated state characterized by anti-ferromagnetic vortex ordering to a state with rapidly changing particle flows and self-organized vortical states with a lattice constant larger than one of the confining pattern. Our experimental observations are accompanied by numerical simulations based on phenomenological coarse grained particle dynamics coupled to Navier–Stokes hydrodynamics in shallow water approximation. The reported results provide insights into the collective behavior of active magnetic rollers under confinement and suggest strategies for the manipulation of collective dynamic states in active magnetic liquids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Needle-Like Ferroelastic Domains in Individual Ferroelectric Nanoparticles

Superior structural, physical and electronic properties make ferroelectric nanocrystals essential in enabling a range of next-generation devices. Ferroelectric responses are determined by crystal structure and domain morphology. The ability to reversibly displace, create and annihilate elastic domains is critical to device applications. Whereas electric-field control has been demonstrated for ferroelectric 180° surface domain walls and vortices, similar control of ferroelastic domains and domain boundaries within individual nanocrystals remains challenging. Using controlled external compressive and tensile axial stress, deterministic and reversible control of highly mobile ferroelastic domains and axial polarization in three dimensions is demonstrated in this study. While many studies exist on ferroelastic domains in thin films and bulk, little is known about ferroelastic interactions at the single nanoparticle level, especially involving domain boundaries. Through combining Bragg coherent X-ray diffractive imaging and Landau theory, strain gradients in individual BaTiO3 nanocrystals are shown to stabilize needle-like ferroelastic twin domains. These domains are highly labile under applied axial stress, producing a locally enhanced electric polarization mediated by a ferroelectric phase transition. The efficacy of Bragg coherent X-ray diffractive imaging in studying in operando domains in three-dimensions is demonstrated, while synergy with theory provides a paradigm for domain boundary engineering and potential for nanoscale functional devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Optical Control of Adaptive Nanoscale Domain Networks

Adaptive networks can sense and adjust to dynamic environments to optimize their performance. Understanding their nanoscale responses to external stimuli is essential for applications in nanodevices and neuromorphic computing. However, it is challenging to image such responses on the nanoscale with crystallographic sensitivity. Here, the evolution of nanodomain networks in (PbTiO 3 ) n /(SrTiO 3 ) n superlattices (SLs) is directly visualized in real space as the system adapts to ultrafast repetitive optical excitations that emulate controlled neural inputs. The adaptive response allows the system to explore a wealth of metastable states that are previously inaccessible. Their reconfiguration and competition are quantitatively measured by scanning x-ray nanodiffraction as a function of the number of applied pulses, in which crystallographic characteristics are quantitatively assessed by assorted diffraction patterns using unsupervised machine-learning methods. The corresponding domain boundaries and their connectivity are drastically altered by light, holding promise for light-programable nanocircuits in analogy to neuroplasticity. Phase-field simulations elucidate that the reconfiguration of the domain networks is a result of the interplay between photocarriers and transient lattice temperature. The demonstrated optical control scheme and the uncovered nanoscopic insights open opportunities for the remote control of adaptive nanoscale domain networks.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Strong-field physics in three-dimensional topological insulators

We investigate theoretically the strong-field regime of light-matter interactions in the topological-insulator class of quantum materials. In particular, we focus on the process of nonperturbative high-order harmonic generation from the paradigmatic three-dimensional topological insulator bismuth selenide (Bi 2 Se 3 ) subjected to intense midinfrared laser fields. We analyze the contributions from the spin-orbit-coupled bulk states and the topological surface bands separately and reveal a major difference in how their harmonic yields depend on the ellipticity of the laser field. Furthermore, bulk harmonics show a monotonic decrease in their yield as the ellipticity increases, in a manner reminiscent of high harmonic generation in gaseous media. However, the surface contribution exhibits a highly nontrivial dependence, culminating with a maximum for circularly polarized fields. We attribute the observed anomalous behavior to (i) the enhanced amplitude and the circular pattern of the interband dipole and the Berry connections in the vicinity of the Dirac point and (ii) the influence of the higher-order, hexagonal warping terms in the Hamiltonian, which are responsible for the hexagonal deformation of the energy surface at higher momenta. The latter are associated directly with spin-orbit-coupling parameters. Our results thus establish the sensitivity of strong-field-driven high harmonic emission to the topology of the band structure as well as to the manifestations of spin-orbit interaction.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Metal–Organic Framework as a New Type of Magnetothermally‐Triggered On‐Demand Release Carrier

The development of external stimuli‐controlled payload systems has been sought after with increasing interest toward magnetothermally‐triggered drug release (MTDR) carriers due to their non‐invasive features. However, current MTDR carriers present several limitations, such as poor heating efficiency caused by the aggregation of iron oxide nanoparticles (IONPs) or the presence of antiferromagnetic phases which affect their efficiency. Herein, a novel MTDR carrier is developed using a controlled encapsulation method that fully fixes and confines IONPs of various sizes within the metal–organic frameworks (MOFs). This novel carrier preserves the MOF's morphology, porosity, and IONP segregation, while enhances heating efficiency through the oxidation of antiferromagnetic phases in IONPs during encapsulation. It also features a magnetothermally‐responsive nanobrush that is stimulated by an alternating magnetic field to enable on‐demand drug release. The novel carrier shows improved heating, which has potential applications as contrast agents and for combined chemo and magnetic hyperthermia therapy. It holds a great promise for magneto‐thermally modulated drug dosing at tumor sites, making it an exciting avenue for cancer treatment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1999

Chain Dynamics in Magnetorheological Suspensions

Magnetorheological (MR) suspensions are composed of colloidal particles which acquire dipole moments when subjected to an external magnetic field. At sufficient field strengths and concentrations, the dipolar particles rapidly aggregate to form long chains. Subsequent lateral cross-linking of the dipolar chains is responsible for a rapid liquid-to-solid-like rheological transition. The unique, magnetically-activated rheological properties of MR suspensions make them ideal for interfacing mechanical systems to electronic controls. Additionally, the ability to experimentally probe colloidal suspensions interacting through tunable anisotropic potentials is of fundamental interest. Our current experimental work has focused on understanding the fluctuations of dipolar chains. It has been proposed by Halsey and Toor (HT) that the strong Landau-Peierls thermal fluctuations of dipolar chains could be responsible for long-range attractions between chains. Such interactions will govern the long-time relaxation of MR suspensions. We have synthesized monodisperse neutrally buoyant MR suspensions by density matching stabilized ferrofluid emulsion droplets with D2O. This allows us to probe the dynamics of the dipolar chains using light scattering without gravitational, interfacial, and polydispersity effects to resolve the short-wavelength dynamics of the dipolar chains. We used diffusing wave spectroscopy to measure these dynamics. The particle displacements at short times that show an independence to the field strength, but at long times exhibit a constrained, sub-diffusive motion that slows as the dipole strength is increased. The experiments are in good qualitative agreement with Brownian dynamics simulations of dipolar chains. Although there have been several important and detailed studies of the structure and interactions in MR suspensions, there has not been conclusive evidence that supports or contradicts the HT model prediction that long-range interactions exist between fluctuating chains of dipolar particles. Resolving this issue would contribute greatly to the understanding of these interesting and important materials. We have begun to test the predictions of the HT model by both examining the dynamics of individual chains and by measuring the forces between dipolar chains directly to accurately and quantitatively assess the interactions that they experience. To do so, we employ optical trapping techniques and video-microscopy to manipulate and observe our samples on the microscopic level. With these techniques, it is possible to observe chains that are fluctuating freely in three-dimensions, independent of interfacial effects. More importantly, we are able to controllably observe the interactions of two chains at various separations to measure the force-distance profile. The techniques also allow us to study the mechanical properties of individual chains and chain clusters. Our work to this point has focused on reversibly-formed dipolar chains due to field induced dipoles where the combination of this chaining, the dipolar forces, and the hydrodynamic interactions that dictate the rheology of the suspensions. One can envision, however, many situations where optical, electronic, or rheological behavior may be optimized with magneto-responsive anisotropic particles. Chains of polarizable particles may have the best properties as they can coil and flex in the absence of a field and stiffen and orient when a field is applied. We have recently demonstrated a synthesis of stable, permanent paramagnetic chains by both covalently and physically linking paramagnetic colloidal particles. The method employed allows us to create monodisperse chains of controlled length. We observed the stability, field-alignment, and rigidity of this new class of materials. The chains may exhibit unique rheological properties in an applied magnetic field over isotropic suspensions of paramagnetic particles. They are also useful rheological models as bead-spring systems. These chains form the basis for our current experiments with optical traps.

Gast, A. P.↗