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At least 289 records · Page 16

Review of rigorous coupled-wave analysis and of homogeneous effective medium approximations for high spatial-frequency surface-relief gratings

A review of the rigorous coupled-wave analysis as applied to the diffraction of electro-magnetic waves by gratings is presented. The analysis is valid for any polarization, angle of incidence, and conical diffraction. Cascaded and/or multiplexed gratings as well as material anisotropy can be incorporated under the same formalism. Small period rectangular groove gratings can also be modeled using approximately equivalent uniaxial homogeneous layers (effective media). The ordinary and extraordinary refractive indices of these layers depend on the gratings filling factor, the refractive indices of the substrate and superstrate, and the ratio of the freespace wavelength to grating period. Comparisons of the homogeneous effective medium approximations with the rigorous coupled-wave analysis are presented. Antireflection designs (single-layer or multilayer) using the effective medium models are presented and compared. These ultra-short period antireflection gratings can also be used to produce soft x-rays. Comparisons of the rigorous coupled-wave analysis with experimental results on soft x-ray generation by gratings are also included.

Glytsis, Elias N.↗

Specific ion effects on ion transport in charged polymer membranes

Selective separation of like-charged ions is a central challenge in applications such as critical mineral recovery. Electrochemical membrane–based separations offer promising pathways to address this need, but a limited fundamental understanding of ion transport in charged polymer membranes hampers the development of highly selective materials. This study elucidates the role of specific ion effects (SIEs) in ion transport through charged polymer membranes by integrating experimental measurements of ion mobility and in situ ion/ion and ion/water interactions in model charged polymer membranes with results from molecular dynamics simulations on analogous systems. We demonstrate that solvent-mediated ion interactions drive pronounced SIEs within the studied membranes, with the ion softness, i.e., the malleability of ion hydration shells, from hard/soft acid/base (HSAB) theory emerging as a key predictor of transport properties. HSAB theory also explains the observed mechanism of solvent-mediated ion interactions. Our findings offer a mechanistic framework for designing membranes with tailored ion selectivity, potentially enabling efficient separations of chemically similar ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Shape Effect Analysis of Aluminum Projectile Impact on Whipple Shields

The informed design with respect to hypervelocity collisions involving micrometeoroid and orbital debris (MMOD) is influential to the success of space missions. For an orbit comparable to that of the International Space Station, velocities for MMOD can range from 1 to 15 km/s, with an average velocity around 10 km/cu s. The high energy released during collisions at these speeds can result in damage to a spacecraft, or worst-case, loss of the spacecraft, thus outlining the importance of methods to predict the likelihood and extent of damage due to an impact. Through experimental testing and numerical simulations, substantial work has been conducted to better understand the effects of hypervelocity impacts (HVI) on spacecraft systems and shields; however, much of the work has been focused on spherical impacting particles. To improve environment models for the analysis of MMOD, a large-scale satellite break-up test was performed at the Arnold Engineering and Development Complex to better understand the varied impactor geometries that could be generated from a large impact. As a part of the post-experiment analysis, an undertaking to characterize the irregular fragments generated is currently being performed by the University of Florida under the management of NASA's Orbital Debris Program Office at Johnson Space Center (JSC). DebriSat was a representative, modern LEO satellite that was catastrophically broken up in a HVI test. The test chamber was lined with a soft-catch system of foam panels that captured the fragments after impact. Initial predictions put the number of fragments larger than 2mm generated from the HVI at roughly 85,000. The number of fragments thus far extracted from the foam panels has exceeded 100,000, with that number continuously increasing. The shapes of the fragments vary dependent upon the material. Carbon-fiber reinforced polymer pieces, for instance, are abundantly found as thin, flat slivers. The characterization of these fragments with respect to their mass, size, and material composition needs to be summarized in a form that can be used in MMOD analysis. The mechanism that brings these fragment traits into MMOD analysis is through ballistic limit equations (BLE) that have been developed largely for a few types of materials1. As a BLE provides the failure threshold for a shield or spacecraft component based on parameters such as the projectile impact velocity and size, and the target's materials, thickness, and configuration, it is used to design protective shields for spacecraft such as Whipple shields (WS) to an acceptable risk level. The majority of experiments and simulations to test shields and validate BLEs have, heretofore, largely used spheres as the impactor, not properly reflecting the irregular shapes of MMOD. This shortfall has motivated a numerical impact analysis study of HVI involving non-spherical geometries to identify key parameters that environment models should provide.

Carrasquilla, Maria J.↗

Designing a Dynamic Material via Interlocking Kraft Lignin with Ultrahigh Molecular Weight Poly(ethylene oxide)

The environmental issues stemming from plastic waste and the excessive use of petroleum-based chemicals are both concerning and urgent. To effectively address this problem, we need to adopt a comprehensive approach involving developing more sustainable and renewable materials. These materials should be capable of demonstrating similar or even better performance than functional polymers synthesized from petroleum-based chemicals. Our research aims to develop more sustainable materials by leveraging the intrinsic characteristics of a natural polymer, lignin, a byproduct of the biorefinery industries. We utilized the three-dimensional branching structure of lignin as a material framework. We employed an approach to co-reactive melt processing of kraft lignin with aliphatic flexible chains of soft cross-linkers through the reaction of the cross-linker epoxy chain ends with lignin functional groups. Our study demonstrates that the interlocked structure formed from the co-blending of kraft lignin with ultrahigh molecular weight poly(ethylene oxide) and the cross-linking of lignin chains through a solvent-free process can manipulate the macromolecular interactions and relaxation. This manipulation results in materials that exhibit a wide range of thermomechanical properties and self-healing and shape memory effects, with drastically improved stiffness in a single material. We have explored the fundamental understanding of the macromolecular chain relaxation dynamics originating from the interlocking structure formation. In conclusion, this investigation utilized various techniques, including thermal, mechanical, rheology, and quasi-elastic neutron scattering.

36 MATERIALS SCIENCE↗

The Subscale Orbital Fluid Transfer Experiment

The Center for Advanced Spacecraft Propulsion (CASP) is a subcontractor to Boeing Aerospace Corporation to provide support for the concept definition and design of a subscale orbital fluid transfer experiment (SOFTE). SOFTE is an experiment that will look at the fluid mechanics of the process of transfer of a saturated fluid between two tanks. The experiment will be placed in two get away special (GAS) can containers; the tanks will be in one container and the power and electronics will be in a second container. Since GAS cans are being used, the experiment will be autonomous. The work during the present year consisted of examining concepts for visual observation of the fluid transfer process, methods for accurately metering the amount of fluid transferred between the two tanks, possible test fluids, and materials for the elastomeric diaphragm.

Meserole, J. S.↗

SonoPanel(TM) 1-3 Piezocomposite Panels for Active Surface Control

Materials Systems Inc. has developed a cost-effective technology for producing 1-3 piezoelectric ceramic/polymer composites for use in active surface control. MSI's 103 piezocomposite SonoPanel(TM) transducers consist of an array of piezoelectric ceramic rods arranged in a compliant polymer matrix. The standard SonoPanel(TM) composite consists of 15 volume percent PZT-5H rods 1.1 mm diameter x 6.3 mm long in a matrix of soft polyurethane. Stiff face plates are then bonded to the 1-3 composite sheet for stress amplification when used as a sensor and to enhance the surface response uniformity when used as an actuator. Many variations on this composite design have been produced for specific application requirements.

Gentilman, R.↗

Harnessing ionic complexity: A modeling approach for hierarchical ionic circuit design

Since the 1950s, soft ionic devices have evolved from individual components to an expanding library of sensors, actuators, signal transmitters, and processors. However, integrating these components into complex, multifunctional systems remains challenging due to the nonintuitive and nonlinear interactions between ionic elements. In this work, we address these fundamental challenges by developing a lumped element model that enables interrogation of the physics that governs ionic circuits, as well as rapid design and optimization. Our model captures features specific to ionic charge carriers, while preserving the hierarchical design flexibility and computational efficiency of traditional circuit modeling. We demonstrate that our model can not only fit individual device behavior but also accurately predict the behavior of larger circuits formed by combining those devices. Additionally, we show how our tool utilizes the intrinsic nonlinearities of ionic systems to enable extended functionality, revealing how factors such as ion enrichment, ion leakage, and polymer charge density influence performance. Lastly, we present a fully ionic power supply, sensor, control system, and actuator for a soft robot that adapts its motion in response to environmental salt, illustrating the tool’s potential to accelerate advancements in chemical sensing, biointerfacing, biomimetic systems, and adaptive materials.

42 ENGINEERING↗

An in situ shearing x-ray measurement system for exploring structures and dynamics at the solid–liquid interface

Revealing interfacial structure and dynamics has been one of the essential thematic topics in material science and condensed matter physics. Synchrotron-based x-ray scattering techniques can deliver unique and insightful probing of interfacial structures and dynamics, in particular, in reflection geometries with higher surface and interfacial sensitivity than transmission geometries. We demonstrate the design and implementation of an in situ shearing x-ray measurement system, equipped with both inline parallel-plate and cone-and-plate shearing setups and operated at the advanced photon source at Argonne National Laboratory, to investigate the structures and dynamics of end-tethered polymers at the solid-liquid interface. With a precise lifting motor, a micrometer-scale gap can be produced by aligning two surfaces of a rotating upper shaft and a lower sample substrate. A torsional shear flow forms in the gap and applies tangential shear forces on the sample surface. The technical combination with nanoscale rheology and the utilization of in situ x-ray scattering allow us to gain fundamental insights into the complex dynamics in soft interfaces under shearing. In this work, we demonstrate the technical scope and experimental capability of the in situ shearing x-ray system through the measurements of charged polymers at both flat and curved interfaces upon shearing. Furthermore, through the in situ shearing x-ray scattering experiments integrated with theoretical simulations, we aim to develop a detailed understanding of the short-range molecular structure and mesoscale ionic aggregate morphology, as well as ion transport and dynamics in soft interfaces, thereby providing fundamental insight into a long-standing challenge in ionic polymer brushes with a significant technological impact.

36 MATERIALS SCIENCE↗

Exploring the Charge Compensation Mechanism of P2-Type Na 0.6 Mg 0.3 Mn 0.7 O 2 Cathode Materials for Advanced Sodium-Ion Batteries

P2-type sodium layered transition metal oxides have been intensively investigated as promising cathode materials for sodium-ion batteries (SIBs) by virtue of their high specific capacity and high operating voltage. However, they suffer from problems of voltage decay, capacity fading, and structural deterioration, which hinder their practical application. Therefore, a mechanistic understanding of the cationic/anionic redox activity and capacity fading is indispensable for the further improvement of electrochemical performance. Here, a prototype cathode material of P2-type Na 0.6 Mg 0.3 Mn 0.7 O 2 is comprehensively investigated, which presents both cationic and anionic redox behaviors during the cycling process. By a combination of soft X-ray absorption spectroscopy and electroanalytical methods, we unambiguously reveal that only oxygen redox reaction is involved in the initial charge process, then both oxygen and manganese participate in the charge compensation in the following discharge process. In addition, a gradient distribution of Mn valence state from surface to bulk is disclosed, which could be mainly related to the irreversible oxygen activity during the charge process. Furthermore, we find that the average oxidation state of Mn is reduced upon extended cycles, leading to the noticeable capacity fading. Our results provide deeper insights into the intrinsic cationic/anionic redox mechanism of P2-type materials, which is vital for the rational design and optimization of advanced cathode materials for SIBs.

25 ENERGY STORAGE↗

A design of resonant inelastic X-ray scattering (RIXS) spectrometer for spatial- and time-resolved spectroscopy

The optical design of a Hettrick–Underwood-style soft X-ray spectrometer with Wolter type 1 mirrors is presented. The spectrometer with a nominal length of 3.1 m can achieve a high resolving power (resolving power higher than 10000) in the soft X-ray regime when a small source beam (<3 µm in the grating dispersion direction) and small pixel detector (5 µm effective pixel size) are used. Adding Wolter mirrors to the spectrometer before its dispersive elements can realize the spatial imaging capability, which finds applications in the spectroscopic studies of spatially dependent electronic structures in tandem catalysts, heterostructures, etc . In the pump–probe experiments where the pump beam perturbs the materials followed by the time-delayed probe beam to reveal the transient evolution of electronic structures, the imaging capability of the Wolter mirrors can offer the pixel-equivalent femtosecond time delay between the pump and probe beams when their wavefronts are not collinear. In combination with some special sample handing systems, such as liquid jets and droplets, the imaging capability can also be used to study the time-dependent electronic structure of chemical transformation spanning multiple time domains from microseconds to nanoseconds. The proposed Wolter mirrors can also be adopted to the existing soft X-ray spectrometers that use the Hettrick–Underwood optical scheme, expanding their capabilities in materials research.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Simple, compact, high-resolution monochromatic x-ray source for characterization of x-ray calorimeter arrays

X-ray calorimeters routinely achieve very high spectral resolution, typically a few eV full width at half maximum (FWHM). Measurements of calorimeter line shapes are usually dominated by the natural linewidth of most laboratory calibration sources. This compounds the data acquisition time necessary to statistically sample the instrumental line broadening and can add systematic uncertainty if the intrinsic line shape of the source is not well known. To address these issues, we have built a simple, compact monochromatic x-ray source using channel cut crystals. A commercial x-ray tube illuminates a pair of channel cut crystals that are aligned in a dispersive configuration to select the Kα1 line of the x-ray tube anode material. The entire device, including the x-ray tube, can be easily hand-carried by one person and may be positioned manually or using a mechanical translation stage. The output monochromatic beam provides a collimated image of the anode spot with magnification of unity in the dispersion direction (typically 100 μm–200 μm for the x-ray tubes used here) and is unfocused in the cross-dispersion direction so that the source image in the detector plane appears as a line. We measured output count rates as high as 10 count/s/pixel for the Hitomi soft x-ray spectrometer, which had 819 μm square pixels. We implemented different monochromator designs for energies of 5.4 keV (one design) and 8.0 keV (two designs), which have effective theoretical FWHM energy resolution of 0.125 eV, 0.197 eV, and 0.086 eV, respectively; these are well-suited for optimal calibration measurements of state-of-the art x-ray calorimeters. We measured an upper limit for the energy resolution of our Cr Kα1 monochromator of 0.7 eV FWHM at 5.4 keV, consistent with the theoretical prediction of 0.125 eV.

47 OTHER INSTRUMENTATION↗

Simple, Compact, High-Resolution Monochromatic X-Ray Source for Characterization of X-Ray Calorimeter Arrays

X-ray calorimeters routinely achieve very high spectral resolution, typically a few eV full width at half maximum (FWHM). Measurements of calorimeter line shapes are usually dominated by the natural linewidth of most laboratory calibration sources. This compounds the data acquisition time necessary to statistically sample the instrumental line broadening and can add systematic uncertainty if the intrinsic line shape of the source is not well known. To address these issues, we have built a simple, compact monochromatic x-ray source using channel cut crystals. A commercial x-ray tube illuminates a pair of channel cut crystals that are aligned in a dispersive configuration to select the Kα1 line of the x-ray tube anode material. The entire device, including the x-ray tube, can be easily hand-carried by one person and may be positioned manually or using a mechanical translation stage. The output monochromatic beam provides a collimated image of the anode spot with magnification of unity in the dispersion direction (typically 100 μm–200 μm for the x-ray tubes used here) and is unfocused in the cross-dispersion direction so that the source image in the detector plane appears as a line. We measured output count rates as high as 10 count/s/pixel for the Hitomi soft x-ray spectrometer, which had 819 μm square pixels. We implemented different monochromator designs for energies of 5.4 keV (one design) and 8.0 keV (two designs), which have effective theoretical FWHM energy resolution of 0.125 eV, 0.197 eV, and 0.086 eV, respectively; these are well-suited for optimal calibration measurements of state-of-the art x-ray calorimeters. We measured an upper limit for the energy resolution of our Cr Kα1 monochromator of 0.7 eV FWHM at 5.4 keV, consistent with the theoretical prediction of 0.125 eV.

M A Leutenegger↗

Trellises and Trellis-Based Decoding Algorithms for Linear Block Codes

A code trellis is a graphical representation of a code, block or convolutional, in which every path represents a codeword (or a code sequence for a convolutional code). This representation makes it possible to implement Maximum Likelihood Decoding (MLD) of a code with reduced decoding complexity. The most well known trellis-based MLD algorithm is the Viterbi algorithm. The trellis representation was first introduced and used for convolutional codes [23]. This representation, together with the Viterbi decoding algorithm, has resulted in a wide range of applications of convolutional codes for error control in digital communications over the last two decades. There are two major reasons for this inactive period of research in this area. First, most coding theorists at that time believed that block codes did not have simple trellis structure like convolutional codes and maximum likelihood decoding of linear block codes using the Viterbi algorithm was practically impossible, except for very short block codes. Second, since almost all of the linear block codes are constructed algebraically or based on finite geometries, it was the belief of many coding theorists that algebraic decoding was the only way to decode these codes. These two reasons seriously hindered the development of efficient soft-decision decoding methods for linear block codes and their applications to error control in digital communications. This led to a general belief that block codes are inferior to convolutional codes and hence, that they were not useful. Chapter 2 gives a brief review of linear block codes. The goal is to provide the essential background material for the development of trellis structure and trellis-based decoding algorithms for linear block codes in the later chapters. Chapters 3 through 6 present the fundamental concepts, finite-state machine model, state space formulation, basic structural properties, state labeling, construction procedures, complexity, minimality, and sectionalization of trellises. Chapter 7 discusses trellis decomposition and subtrellises for low-weight codewords. Chapter 8 first presents well known methods for constructing long powerful codes from short component codes or component codes of smaller dimensions, and then provides methods for constructing their trellises which include Shannon and Cartesian product techniques. Chapter 9 deals with convolutional codes, puncturing, zero-tail termination and tail-biting.Chapters 10 through 13 present various trellis-based decoding algorithms, old and new. Chapter 10 first discusses the application of the well known Viterbi decoding algorithm to linear block codes, optimum sectionalization of a code trellis to minimize computation complexity, and design issues for IC (integrated circuit) implementation of a Viterbi decoder. Then it presents a new decoding algorithm for convolutional codes, named Differential Trellis Decoding (DTD) algorithm. Chapter 12 presents a suboptimum reliability-based iterative decoding algorithm with a low-weight trellis search for the most likely codeword. This decoding algorithm provides a good trade-off between error performance and decoding complexity. All the decoding algorithms presented in Chapters 10 through 12 are devised to minimize word error probability. Chapter 13 presents decoding algorithms that minimize bit error probability and provide the corresponding soft (reliability) information at the output of the decoder. Decoding algorithms presented are the MAP (maximum a posteriori probability) decoding algorithm and the Soft-Output Viterbi Algorithm (SOVA) algorithm. Finally, the minimization of bit error probability in trellis-based MLD is discussed.

Lin, Shu↗

An alpha particle experiment for chemical analysis of the Martian surface and atmosphere.

An alpha particle experiment similar to the one performed successfully on the Surveyor lunar missions is described. It is designed to provide a chemical analysis of the Martian surface and atmosphere. Analyses of rocks of known and unknown compositions have been made under simulated Martian conditions. The accuracies attained are generally comparable to those of the Surveyor lunar analyses. Improvements have been achieved in determining carbon and oxygen, so that a few per cent of water or carbonates in rocks can be detected. Some aspects of the integration of such an experiment with the spacecraft, a possible mission profile, and some other problems associated with a soft-landing mission to Mars are discussed. The importance of such a chemical analysis experiment in answering current questions about the nature and history of Martian surface material and its suitability for life processes is presented.

Economou, T. E.↗

Directed self-assembly of chiral liquid crystals into biomimetic bouligand structures in thin film

The Bouligand structure, renowned for its helicoidal arrangement and enhanced mechanical properties, has attracted significant research interest for its ability to impart enhanced strength to intrinsically soft materials. Biomimetic approaches have centered on fibrous structures in bulk materials, but translating this architecture into thin-film regime for miniaturized-wearable devices with programmable functions remains challenging. Here, we direct the self-assembly of cholesteric liquid crystals (CLCs) into hierarchical helical structures using chemically patterned surfaces. Alternating surface anchoring regions align uniform lying-down helices at the nanoscale, guiding a secondary microscale helical structure exhibiting both left- and right-handed twists. This mimetic Bouligand structure in CLCs enables optical modulation under applied field and strain with enhanced mechanical response. Simulations reveal the structural evolution from initial Bouligand configuration in LC layers to alternating twist helices. This research provides a basis for designing and manufacturing miniaturized or wearable devices with nanometer-scale precision in regulating electro-optical and mechanical properties. Bouligand structures, which offer strength in natural materials, are of interest but difficult to obtain. Here, the authors report the development of such structures by directed self-assembly of cholesteric single crystals into hierarchical helical structures, with the secondary structure having right and left-handed twists.

Bouligand structure↗

Heterometallic UO 2 2+ /Ag + Complexes: Structural Design and Luminescence Properties

Reported here are the synthesis, structural characterization, and luminescence properties of 11 novel UO 2 2+ /Ag + heterometallic complexes. Halogenated benzoic acids (2,6-dihalobenzoic acid (halo = F, Br), 3,5-dichlorobenzoic acid, and 3-halobenzoic acid (halo = Br, I)) and N-donor polycyclic ligands (2,2′-bipyridine, 2,2’;6′,2″-terpyridine, 1,10-phenanthroline, 2,2′-bipyrimidine) were employed to synthesize a set of compounds and induce structural diversity. The primary mode of coordination with the uranyl cation is hexagonal bipyramidal monomeric units with three halobenzoate ligands in the equatorial plane, though 1-D chains with pentagonal bipyramidal uranyl centers also form. The Ag + cations coordinate preferentially to the N-donor ligands and serve as counter-cations for the anionic uranyl motifs. The soft ligand character of the N-donor molecules is found to be a requirement for the inclusion of the Ag + cation into the structures. Anionic uranyl units and cationic silver units assemble via noncovalent interactions between π systems on adjacent rings and between halogens (when Br and I are present). Solid-state emission spectra display the usual uranyl band with superimposed vibronic fine structure, except for that of compound 1 , which shows emission from the 2,2′-bipyridine center. This family of compounds represents a substantial contribution to the already rich library of UO 2 2+ /Ag + compounds, and the synthetic parameters discussed within reveal a platform for the design of new heterometallic uranyl-containing materials.

anions↗

EXPANSE: A time-of-flight EXPanded Angle Neutron Spin Echo spectrometer at the Second Target Station of the Spallation Neutron Source

EXPANSE, an EXPanded Angle Neutron Spin Echo instrument, has been proposed and selected as one of the first suite of instruments to be built at the Second Target Station of the Spallation Neutron Source at the Oak Ridge National Laboratory. This instrument is designed to address scientific problems that involve high-energy resolution (neV– μeV) of dynamic processes in a wide range of materials. The wide-angle detector banks of EXPANSE provide coverage of nearly two orders of magnitude in scattering wavenumbers, and the wide wavelength band affords approximately four orders of magnitude in Fourier times. This instrument will offer unique capabilities that are not available in the currently existing neutron scattering instruments in the United States. Specifically, EXPANSE will enable direct measurements of slow dynamics in the time domain over wide Q-ranges simultaneously and will also enable time-resolved spectroscopic studies. The instrument is expected to contribute to a diverse range of science areas, including soft matter, polymers, biological materials, liquids and glasses, energy materials, unconventional magnets, and quantum materials.

47 OTHER INSTRUMENTATION↗

Cryogenic Insulation Systems

The results of a comparative study of cryogenic insulation systems performed are presented. The key aspects of thermal insulation relative to cryogenic system design, testing, manufacturing, and maintenance are discussed. An overview of insulation development from an energy conservation perspective is given. Conventional insulation materials for cryogenic applications provide three levels of thermal conductivity. Actual thermal performance of standard multilayer insulation (MLI) is several times less than laboratory performance and often 10 times worse than ideal performance. The cost-effectiveness of the insulation system depends on thermal performance; flexibility and durability; ease of use in handling, installation, and maintenance; and overall cost including operations, maintenance, and life cycle. Results of comprehensive testing of both conventional and novel materials such as aerogel composites using cryostat boil-off methods are given. The development of efficient, robust cryogenic insulation systems that operate at a soft vacuum level is the primary focus of this paper.

Augustynowicz, S. D.↗