Controls of nature: Secondary, tertiary, and quaternary structure of the enamel protein amelogenin in solution and on hydroxyapatite
Not Available
Shaw, Wendy J. (ORCID:0000000246967415)↗
SEARCH · Engineering Papers
Results for “control structures”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Advanced Electrode Structures for Proton Exchange Membrane Fuel Cells: Current Status and Path Forward
Abstract Proton exchange membrane fuel cells (PEMFCs) have demonstrated their viability as a promising candidate for clean energy applications. However, performance of conventional PEMFC electrodes, especially the cathode electrode, suffers from low catalyst utilization and sluggish mass transport due to the randomly distributed components and tortuous transport pathways. Development of alternative architectures in which the electrode structure is controlled across a range of length scales provides a promising path toward overcoming these limitations. Here, we provide a comprehensive review of recent research and development of advanced electrode structures, organized by decreasing length-scale from the millimeter-scale to the nanometer-scale. Specifically, advanced electrode structures are categorized into five unique architectures for specific functions: (1) macro-patterned electrodes for enhanced macro-scale mass transport, (2) micro-patterned electrodes for enhanced micro-scale mass transport, (3) electrospun electrodes with fiber-based morphology for enhanced in-plane proton transport and through-plane O 2 transport, (4) enhanced-porosity electrodes for improved oxygen transport through selective inclusion of void space, and (5) catalyst film electrodes for elimination of carbon corrosion and ionomer poisoning. The PEMFC performance results achieved from each alternative electrode structure are presented and tabulated for comparison with conventional electrode architectures. Moreover, analysis of mechanisms by which new electrode structures can improve performance is presented and discussed. Finally, an overview of current limitations and future research needs is presented to guide the development of electrode structures for next generation PEMFCs. Graphical Abstract Development of improved electrode architectures with the control of structure on length scales ranging from millimeters to nanometers could enable a new generation of fuel cells with increased performance and reduced cost. This paper presents an in-depth review and critical analysis of recent developments and future outlook on the design of advanced electrode structures.
25 ENERGY STORAGE↗
Highly Al-doped TiO{sub 2} nanoparticles produced by Ball Mill Method: structural and electronic characterization
Highlights: • Highly Al-doped TiO{sub 2} nanoparticles were synthesized using a Ball Mill Method. • Al doping delayed anatase to rutile phase transformation. • Al doping allow controlling the structural and electronic properties of nanoparticles. - Abstract: This study presents an easy method for synthesizing highly doped TiO{sub 2} nanoparticles. The Ball Mill method was used to synthesize pure and Al-doped titanium dioxide, with an atomic percentage up to 15.7 at.% Al/(Al + Ti). The samples were annealed at 773 K, 973 K and 1173 K, and characterized using ICP-AES, XRD, Raman spectroscopy, FT-IR, TG, STEM, XPS, and UV–vis spectroscopy. The effect of doping and the calcination temperature on the structure and properties of the nanoparticles were studied. The results show high levels of internal doping due to the substitution of Ti{sup 4+} ions by Al{sup 3+} in the TiO{sub 2} lattice. Furthermore, anatase to rutile transformation occurs at higher temperatures when the percentage of doping increases. Therefore, Al doping allows us to control the structural and electronic properties of the nanoparticle synthesized. So, it is possible to obtain nanoparticles with anatase as predominant phase in a higher range of temperature.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Control over the Magnetic Properties of Co/Pt-based Multilayered Periodical Structures
The possibility of controlling the magnetic properties of multilayered periodical structures with perpendicular magnetic anisotropy, which are based on cobalt and platinum films, have been studied. The multilayered films composed by layers with a thickness of 0.5–1.0 nm were subjected to two types of actions: vacuum annealing at different temperatures and irradiation by helium ion beams. Transmission electron microscopy has shown that the irradiation by He{sup +} ions with energy of 30 keV leads to material mixing in the layers since at vacuum annealing the layered structure of films is kept. In this case, as a result of thermal annealing, the coercive force of the structure increases significantly, and upon irradiation with helium ions, the coercivity of the films decreases to a change in the type of anisotropy from perpendicular to “easy plane” anisotropy.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Strong-field Driven Sub-cycle Band Structure Modulation and Dephasing Control
In this work, we present measurements of ultrafast electric-field observables in magnesium oxide using a non-resonant nonlinear optical interaction. Using field observables, we show that strong laser fields modulate the band structure on sub-cycle timescales, thereby altering the material’s nonlinear optical response. We perform time-dependent perturbation theory calculations using a field-dependent dispersion relation and semiconductor Bloch equation calculations, both of which agree with experimental observations. Furthermore, we extract pulse decay times from the real-time signal electric field envelope and show sub-cycle control of dephasing times. Our work offers a new perspective on strong-field-driven electron dynamics in solids through electric-field observables. The demonstrated attosecond modulation of the nonlinear response could have important implications for quantum light generation and quantum spectroscopy using nonlinear optical processes.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Utilizing computer vision and artificial intelligence algorithms to predict and design the mechanical compression response of direct ink write 3D printed foam replacement structures
Additive Manufacturing (AM) of porous polymeric materials, such as foams, recently became a topic of intensive research due their unique combination of low density, impressive mechanical properties, and stress dissipation capabilities. Conventional methods for fabricating foams rely on complex and stochastic processes, making it challenging to achieve precise architectural control of structured porosity. In contrast, AM provides access to a wide range of printable materials, where precise spatial control over structured porosity can be modulated during the fabrication process enabling the production of foam replacement structures (FRS). Current approaches for designing FRS are based on intuitive understanding of their properties or an extensive number of finite element method (FEM) simulations. These approaches, however, are computationally expensive and time consuming. As such, in this work, we present a novel methodology for determining the mechanical compression response of direct ink write (DIW) 3D printed FRS using a simple cross-sectional image. By obtaining measurement data for a relatively small number of samples, an artificial neural network (ANN) was trained, and a computer vision algorithm was used to make inferences about foam compression characteristics from a single cross-sectional image. Finally, a genetic algorithm (GA) was used to solve the inverse design problem, generating the AM printing parameters that an engineer should use to achieve a desired compression response from a DIW printed FRS. The methods developed herein present an avenue for entirely autonomous design and analysis of additively manufactured structures using artificial intelligence.
36 MATERIALS SCIENCE↗
Light-Driven Expansion of Spiropyran Hydrogels
The incorporation of molecular switches in organic structures is of great interest in the chemical design of stimuli-responsive materials that mimic the complex functions of living systems. Merocyanine dyes that convert to spiropyran moieties upon exposure to visible light have been extensively studied as they can be incorporated in hydrated covalent networks that will expel water when this conversion occurs and induce a volumetric shrinkage. We report here on a sulfonatebased water soluble photoswitch that in contrast to the well-known system triggers a volumetric expansion in hydrogels upon exposure to photons. Contraction is in turn observed under dark conditions in a highly reversible manner. The novel behavior of the photoswitch incorporated in the covalent network was also predicted by coarse grain simulations of the system’s chemical structure. Using pH control and polymeric structures that differ in lower critical solution temperature we were able to develop hydrogels with highly tunable volumetric expansion. Furthermore, the novel molecular function of the systems developed here led to materials with the negative phototaxis observed in plants, and can expand the potential use of hydrogels as sensors, soft robots, and actuators.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Crystal engineering with DNA
This Review chronicles over two decades of research into creating a genetic code for crystal engineering. Rather than directing biological processes, this code uses synthetic forms of DNA to programme the assembly of nanoparticles and microparticles into 1D, 2D and 3D crystalline architectures, in which almost every aspect of the resultant structures can be systematically controlled. Within this conceptual framework, the structural and functional advances are described in an effort to define the present level of sophistication and to predict future directions of the platform. These advances include exotic structures with programmable lattice symmetries and well-defined crystal habits, responsive materials that leverage the intrinsic properties of nucleic acids to manipulate structures on demand, nanoparticle superlattices grown epitaxially from surfaces and colloidal crystals that offer insights into light–matter interactions. Looking forward, we challenge the community to leverage the extraordinary structural control afforded by crystal engineering with DNA to synthesize classes of functional materials that push beyond what has been possible with naturally occurring crystalline materials or those made by more conventional strategies.
catalysis (homogeneous), solar (photovoltaic), bio↗
2.1.2.403 - Fatigue and Structural Load Analysis and Control for Variable-Geometry Wave Energy Converters (VGWECs)
The VGWEC project will generate and disseminate the foundational knowledge enabling a paradigm shift in the design of wave energy converters (WECs) by adding a geometry control option on top of power-take-off load control. The variable-geometry modules (VGMs) provide control over a WEC's hydrodynamics that can emphasize power absorption or load shedding. Additional load shedding provided by the VGMs is expected to reduce the device structural mass and extend the sea state operating envelope, by limiting peak loading, both contributing towards reducing levelized cost of energy (LCOE) estimates.
hydrodynamic↗
Structural and morphological characteristics of CuMe2O4 spinels in reductive atmosphere depending on the chemical nature of Me(III) cations
Highlights: • CuCr{sub 1}Fe{sub 1}O{sub 4}, CuFe{sub 1}Al{sub 1}O{sub 4} and CuCr{sub 1}Al{sub 1}O{sub 4} samples of a spinel structure, prepared by thermal decomposition of common hydroxycarbonates at 650°C have nonuniforn atomic distribution in the spinel nanoparticles. • The extent of copper reduction and structural features of Cu{sup 0} produced upon reduction of CuMe{sub 2}O{sub 4} spinels depend on the chemical nature of Me{sup 3+}. • The nature of Me{sup 3+} makes it possible to control the structural characteristics, particularly in the reduced state. - Abstract: Mixed copper-containing spinel-type compounds CuCr{sub 1}Fe{sub 1}O{sub 4}, CuCr{sub 1}Al{sub 1}O{sub 4} and CuFe{sub 1}Al{sub 1}O{sub 4} were studied by means of XRD and HREM after calcination at 650 °C in the air and treatments in a hydrogen-containing medium at 270–210 °C (H{sub 2}:He = 5:95; H{sub 2}:CO:H{sub 2}O = 50:7:43). The effect of the chemical nature of Me{sup 3+} cation on the structural-morphological characteristics of oxide systems and their transformations in a reducing medium was investigated. It was shown that the nature of Me{sup 3+} cation makes it possible to control the structural characteristics, particularly in the reduced state.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
StructuredFuzzer: Fuzzing Structured Text-Based Control Logic Applications
Rigorous testing methods are essential for ensuring the security and reliability of industrial controller software. Fuzzing, a technique that automatically discovers software bugs, has also proven effective in finding software vulnerabilities. Unsurprisingly, fuzzing has been applied to a wide range of platforms, including programmable logic controllers (PLCs). However, current approaches, such as coverage-guided evolutionary fuzzing implemented in the popular fuzzer American Fuzzy Lop Plus Plus (AFL++), are often inadequate for finding logical errors and bugs in PLC control logic applications. They primarily target generic programming languages like C/C++, Java, and Python, and do not consider the unique characteristics and behaviors of PLCs, which are often programmed using specialized programming languages like Structured Text (ST). Furthermore, these fuzzers are ill suited to deal with complex input structures encapsulated in ST, as they are not specifically designed to generate appropriate input sequences. This renders the application of traditional fuzzing techniques less efficient on these platforms. To address this issue, this paper presents a fuzzing framework designed explicitly for PLC software to discover logic bugs in applications written in ST specified by the IEC 61131-3 standard. The proposed framework incorporates a custom-tailored PLC runtime and a fuzzer designed for the purpose. We demonstrate its effectiveness by fuzzing a collection of ST programs that were crafted for evaluation purposes. We compare the performance against a popular fuzzer, namely, AFL++. The proposed fuzzing framework demonstrated its capabilities in our experiments, successfully detecting logic bugs in the tested PLC control logic applications written in ST. On average, it was at least 83 times faster than AFL++, and in certain cases, for example, it was more than 23,000 times faster.
47 OTHER INSTRUMENTATION↗
Facility for low-temperature spin-polarized-scanning tunneling microscopy studies of magnetic/spintronic materials prepared in situ by nitride molecular beam epitaxy
Based on the interest in, as well as exciting outlook for, nitride semiconductor based structures with regard to electronic, optoelectronic, and spintronic applications, it is compelling to investigate these systems using the powerful technique of spin-polarized scanning tunneling microscopy (STM), a technique capable of achieving magnetic resolution down to the atomic scale. However, the delicate surfaces of these materials are easily corrupted by in-air transfers, making it unfeasible to study them in stand-alone ultra-high vacuum STM facilities. Therefore, we have carried out the development of a hybrid system including a nitrogen plasma assisted molecular beam epitaxy/pulsed laser epitaxy facility for sample growth combined with a low-temperature, spin-polarized scanning tunneling microscope system. The custom-designed molecular beam epitaxy growth system supports up to eight sources, including up to seven effusion cells plus a radio frequency nitrogen plasma source, for epitaxially growing a variety of materials, such as nitride semiconductors, magnetic materials, and their hetero-structures, and also incorporating in situ reflection high energy electron diffraction. The growth system also enables integration of pulsed laser epitaxy. The STM unit has a modular design, consisting of an upper body and a lower body. The upper body contains the coarse approach mechanism and the scanner unit, while the lower body accepts molecular beam epitaxy grown samples using compression springs and sample skis. The design of the system employs two stages of vibration isolation as well as a layer of acoustic noise isolation in order to reduce noise during STM measurements. This isolation allows the system to effectively acquire STM data in a typical lab space, which during its construction had no special and highly costly elements included, (such as isolated slabs) which would lower the environmental noise. The design further enables tip exchange and tip coating without breaking vacuum, and convenient visual access to the sample and tip inside a superconducting magnet cryostat. A sample/tip handling system is optimized for both the molecular beam epitaxy growth system and the scanning tunneling microscope system. The sample/tip handing system enables in situ STM studies on epitaxially grown samples, and tip exchange in the superconducting magnet cryostat. The hybrid molecular beam epitaxy and low temperature scanning tunneling microscopy system is capable of growing semiconductor-based hetero-structures with controlled accuracy down to a single atomic-layer and imaging them down to atomic resolution.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Development of a high-fidelity multi-cycle model of the NuScale small modular reactor using VERA
With growing renewables penetration, there is increased interest in flexible power operation for nuclear reactors. For multi-unit SMRs, in particular the NuScale SMR, which is an integral pressurized water reactor, there are opportunities to optimize flexible power operation across multiple units to limit the degradation of structural and control components. Here, we focus on degradation of in-core components, specifically the control rods and reactor pressure vessel. To perform these studies a high-fidelity, multi-cycle representation of the NuScale SMR is required, with a detailed representation of the structural and control components. To this end, the NuScale SMR has been modelled using the Virtual Environment for Reactor Applications (VERA) software. The entire transition to equilibrium is simulated, from Cycle 1 through to the equilibrium cycle. The equilibrium cycle model shows a good agreement with the NuScale design certification application (DCA) results, with differences attributable to a combination of using public domain data for the present study, and methodological differences. K-effective, power distributions, reactivity coefficients, and boron letdown curves are compared and all found to closely match. This shows that the VERA model is suitable for further studies. (authors)
21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
All-optical seeding of a light-induced phase transition with correlated disorder
Ultrafast manipulation of vibrational coherence is an emergent route to control the structure of solids. However, this strategy can only induce long-range correlations and cannot modify atomic structure locally, which is required in many technologically-relevant phase transitions. Here, we demonstrate that ultrafast lasers can generate incoherent structural fluctuations which are more efficient for material control than coherent vibrations, extending optical control to a wider range of materials. We observe that local, non-equilibrium lattice distortions generated by a weak laser pulse reduce the energy barrier to switch between insulating and metallic states in vanadium dioxide by 6%. In conclusion, seeding inhomogeneous structural-fluctuations presents an alternative, more energy efficient, route for controlling materials that may be applicable to all solids, including those used in data and energy storage devices.
36 MATERIALS SCIENCE↗
Peptide supramolecular materials for therapeutics
Supramolecular assembly of peptide-based monomers into nanostructures offers many promising applications in advanced therapies. In this Tutorial Review, we introduce molecular designs to control the structure and potential biological function of supramolecular assemblies. Here, an emphasis is placed on peptide-based supramolecular nanostructures that are intentionally designed to signal cells, either directly through the incorporation of amino acid sequences that activate receptors or indirectly by recruiting native signals such as growth factors. Additionally, we describe the use and future potential of hierarchical structures, such as single molecules that assemble into nanoscale fibers which then align to form macroscopic strings; the strings can then serve as scaffolds for cell growth, proliferation, and differentiation.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Structural “ δ Doping” to Control Local Magnetization in Isovalent Oxide Heterostructures
Modulation and δ-doping strategies, in which atomically thin layers of charged dopants are precisely deposited within a heterostructure, have played enabling roles in the discovery of new physical behavior in electronic materials. Here in this paper, we demonstrate a purely structural “δ-doping” strategy in complex oxide heterostructures, in which atomically thin manganite layers are inserted into an isovalent manganite host, thereby modifying the local rotations of corner-connected MnO 6 octahedra. Combining scanning transmission electron microscopy, polarized neutron reflectometry, and density functional theory, we reveal how local magnetic exchange interactions are enhanced within the spatially confined regions of suppressed octahedral rotations. Finally, the combined experimental and theoretical results illustrate the potential to utilize noncharge-based approaches to “doping” in order to enhance or suppress functional properties within spatially confined regions of oxide heterostructures.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Effect of Ni content on the morphological evolution of Ni-YSZ solid oxide fuel cell electrodes
The coarsening of Ni in Ni–yttria-stabilized zirconia (YSZ) anodes is a potential cause of long term solid oxide fuel cells (SOFC) performance degradation. The specifics of the Ni-YSZ structure—including Ni/YSZ ratio, porosity, and particle size distributions—are normally selected to minimize anode polarization resistance, but they also impact long-term stability. A better understanding of how these factors influence long-term stability is important for designing more durable anodes. The effect of structural details, e.g., Ni-YSZ ratio, on Ni coarsening has not been quantified. Furthermore, prior measurements have been done by comparing evolved structures with control samples, such that sample-to-sample variations introduce errors. Here in this paper, we report a four dimensional (three spatial dimensions and time) study of Ni coarsening in Ni-YSZ anode functional layers with different Ni/YSZ ratios, using synchrotron x-ray nano-tomography. The continuous structural evolution was observed and analyzed at sub-100 nm resolution. It is shown quantitatively that increasing the Ni/YSZ ratio increases the Ni coarsening rate. This is due to both increased pore volume and a decrease in the YSZ volume fraction, such that there is more free volume and a less obtrusive YSZ network, both of which allow greater Ni coarsening. The results are shown to be in good agreement with a power-law coarsening model. In conclusion, the finding is critical for informing the design of SOFC electrode microstructures that limit coarsening and performance degradation.
36 MATERIALS SCIENCE↗
Optimisation of curvilinear external shading of windows in cellular offices
Shading of windows influences building cooling and heating loads through control of solar heat gains, and lighting load through access to available daylight. Shading shape thus presents an important factor both in building energy analysis and building aesthetics. Curvilinearity of solar paths suggests that the optimal shading shape may be curvilinear as well, and our aim here is to test this expectation. To accommodate curvilinearity of shading shape, outer edges of shading, which consists of overhang, western and eastern fins, are modeled as non-uniform rational basis spline (NURBS) curves, a widely accepted representation standard for curves in design industry. As a case study, a cellular office is considered in the Pacific Northwest National Laboratory (PNNL) office building model, with its overhang lined up by seven control points, and the fins lined up by five control points each, with two ending control points joint for the overhang and the fins. With control points allowed to take on nine different alternative depths, genetic optimisation is employed for 16 representative USA climates with respect to total equivalent source energy for heating, cooling and lighting loads. The main finding is that in a very close proximity to optimal shadings found by genetic optimisation there exist shadings with much simpler control point structure, obtained by identifying depths of successive control points, that have nearly rectangular overhangs. Since the difference between these simpler shadings and the optimal ones is less than 0.24%, this partially rejects the expectation that the optimal shading shape should be curvilinear. Structure of these near-optimal shadings also suggests a new way to partition shadings into independent regions: the lower and the upper parts of the western fin, joints of the overhang with the western and the eastern fin, the interior part of the overhang and the rest of the eastern fin.
97 MATHEMATICS AND COMPUTING↗