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At least 1,405 records · Page 78

Model-based, in-situ, non-destructive qualification and certification of parts made by autonomous additive manufacturing

To address the significant productivity challenges associated with the qualification and certification (Q&C) tasks of additively manufactured (AM) parts, which have traditionally relied on rigorous post‐build inspection and testing, we propose an integrated framework that combines model‐based qualification and certification (MBQ&C) with autonomous additive manufacturing (AAM). MBQ&C employs high‐fidelity predictive models, developed within the Integrated Computational Materials Engineering (ICME) paradigm, to simulate process–structure–property–performance relationships for assessing a part’s fitness for use. Since predictive models are commonly machine learning (ML)-based or reduced-order surrogates of validated physics models, they run efficiently, enabling timely inference. In parallel, the self-driving AAM utilises ML-based adaptive, closed‐loop control strategies to avoid, mitigate, or repair defects and anomalies during fabrication, thereby increasing the likelihood of producing acceptable parts. A key feature of the combined AAM-MBQ&C framework is that predictive models explicitly incorporate defects or anomalies that persist after the build, using instance-specific data captured via in-situ sensing. This customisation enables a build‐specific assessment of fitness for use, rather than relying on nominal or generic parameters. Such individualised evaluation provides a robust basis for Q&C-related acceptance decisions relating to each build. Additionally, the rapid solution capabilities of ML or reduced-order models enable the determination of a part’s suitability for service shortly after build completion. As the framework matures, it has the potential to substantially reduce reliance on conventional point‐design approaches—such as time‐consuming post‐build computed tomography scanning and costly destructive testing. Thus, the AAM-MBQ&C framework represents a transformative, scalable strategy for quality assurance of AM components, as parts produced within a stable, validated, and certified envelope can be certified with reduced testing. Key benefits include: (1) significant gains in Q&C productivity through efficient, model-centric assessment; (2) performance-based classification of defects into critical and non-critical categories; (3) the ability to predict potential deviations in the performance of parts affected by real-time, adaptive process control interventions relative to those produced under a certified process, and (4) the enabling of virtual Q&C for service environments that are difficult, hazardous, or impractical to access or reproduce experimentally. Collectively, these capabilities strengthen the business case for AM, particularly for high‐consequence and mission‐critical applications. Finally, although this work focuses on powder-based AM, the proposed techniques could be extended to AM processes employing alternative feedstock forms.

Gunasegaram, Dayalan↗

Phase Transition Dynamics in a Complex Oxide Heterostructure

Understanding the behavior of defects in the complex oxides is key to controlling myriad ionic and electronic properties in these multifunctional materials. The observation of defect dynamics, however, requires a unique probe-one sensitive to the configuration of defects as well as its time evolution. Here, we present measurements of oxygen vacancy ordering in epitaxial thin films of SrCoO x and the brownmillerite-perovskite phase transition employing x-ray photon correlation spectroscopy. These and associated synchrotron measurements and theory calculations reveal the close interaction between the kinetics and the dynamics of the phase transition, showing how spatial and temporal fluctuations of heterointerface evolve during the transformation process. The energetics of the transition are correlated with the behavior of oxygen vacancies, and the dimensionality of the transformation is shown to depend strongly on whether the phase is undergoing oxidation or reduction. Finally, the experimental and theoretical methods described here are broadly applicable to in situ measurements of dynamic phase behavior and demonstrate how coherence may be employed for novel studies of the complex oxides as enabled by the arrival of fourth-generation hard x-ray coherent light sources.

36 MATERIALS SCIENCE↗

Efficient and Robust Dynamic Simulation of Power Systems With Holomorphic Embedding

Dynamic simulation is vitally important in power system analysis, but traditional approaches based on numerical integration over small time steps are time-consuming. Also, the Newton-Raphson method suffers from difficulty in convergence when solving nonlinear algebraic equations. In this paper, we propose a novel dynamic simulation approach based on holomorphic embedding. By obtaining a high-order approximation of system dynamics, it achieves a much larger time step and thus enhances the computational efficiency significantly. In addition, the new approach avoids non-convergence issues in solving algebraic equations, which improves robustness. The approach includes flexible modeling of synchronous generators and controllers, and we propose a method for modeling generator coordinate transformations. The approach is tested on the IEEE 39-bus, 10-generator system and a Polish 2383-bus, 327-generator system. The results demonstrate promising computational efficiency and satisfactory numerical robustness for the analysis of large-scale power systems.

42 ENGINEERING↗

Understanding Selectivity in CO2 Hydrogenation to Methanol for MoP Nanoparticle Catalysts Using In Situ Techniques

Molybdenum phosphide (MoP) catalyzes the hydrogenation of CO, CO2, and their mixtures to methanol, and it is investigated as a high-activity catalyst that overcomes deactivation issues (e.g., formate poisoning) faced by conventional transition metal catalysts. MoP as a new catalyst for hydrogenating CO2 to methanol is particularly appealing for the use of CO2 as chemical feedstock. Herein, we use a colloidal synthesis technique that connects the presence of MoP to the formation of methanol from CO2, regardless of the support being used. By conducting a systematic support study, we see that zirconia (ZrO2) has the striking ability to shift the selectivity towards methanol by increasing the rate of methanol conversion by two orders of magnitude compared to other supports, at a CO2 conversion of 1.4% and methanol selectivity of 55.4%. In situ X-ray Absorption Spectroscopy (XAS) and in situ X-ray Diffraction (XRD) indicate that under reaction conditions the catalyst is pure MoP in a partially crystalline phase. Results from Diffuse Reflectance Infrared Fourier Transform Spectroscopy coupled with Temperature Programmed Surface Reaction (DRIFTS-TPSR) point towards a highly reactive monodentate formate intermediate stabilized by the strong interaction of MoP and ZrO2. This study definitively shows that the presence of a MoP phase leads to methanol formation from CO2, regardless of support and that the formate intermediate on MoP governs methanol formation rate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Role of long-wavelength degrees of freedom in the rod-to-coil transition in polymers

An analytical model is fitted to experimental data to show that rod-to-coil (RTC) transformations in single strand polymers (SSPs) are close to true phase transitions. The RTC are known to occur when the temperature or pH of a solvent in which the SSP is immersed is varied abruptly. Long wavelength degrees of freedom in the SSPs induce long range interactions in the molecule which lead to a first order phase transition. The Landau formalism suggests that a long-range ordered state can appear at a low temperature. A microscopic model of the phonon degrees of freedom identifies the nonzero temperature threshold at which the phase transition will occur. The phenomenology described is similar to a previous model for transitions in double-strand polymers.

Goldenfeld, N.↗

On the application of pseudo-spectral FFT technique to non-periodic problems

The reduction-to-periodicity method using the pseudo-spectral Fast Fourier Transform (FFT) technique is applied to the solution of nonperiodic problems including the two-dimensional Navier-Stokes equations. The accuracy of the method is demonstrated by calculating derivatives of given functions, one- and two-dimensional convective-diffusive problems, and by comparing the relative errors due to the FFT method with seocnd order Finite Difference Methods (FDM). Finally, the two-dimensional Navier-Stokes equations are solved by a fractional step procedure using both the FFT and the FDM methods for the driven cavity flow and the backward facing step problems. Comparisons of these solutions provide a realistic assessment of the FFT method indicating its range of applicability.

Biringen, S.↗

Optimal trajectories for the Aeroassisted Flight Experiment. Part 1: Equations of motion in an Earth-fixed system

The determination of optimal trajectories for the aeroassisted flight experiment (AFE) is discussed. The AFE refers to the study of the free flight of an autonomous spacecraft, shuttle-launched and shuttle-recovered. Its purpose is to gather atmospheric entry environmental data for use in designing aeroassisted orbital transfer vehicles (AOTV). It is assumed that: (1) the spacecraft is a particle of constant mass; (2) the Earth is rotating with constant angular velocity; (3) the Earth is an oblate planet, and the gravitational potential depends on both the radial distance and the latitude (harmonics of order higher than four are ignored); and (4) the atmosphere is at rest with respect to the Earth. Under these assumptions, the equations of motion for hypervelocity atmospheric flight (which can be used not only for AFE problems, but also for AOT problems and space shuttle problems) are derived in an Earth-fixed system. Transformation relations are supplied which allow one to pass from quantities computed in an Earth-fixed system to quantities computed in an inertial system, and vice versa.

Miele, A.↗

Formal results regarding metric space techniques for the study of astrophysical maps

We extend a newly developed formal system for the description of astrophyscial maps. In this formalism, we consider the difference between maps to be the distance between elements of a pseudometric space (the space of all such maps). This Ansatz allows us to measure quantitatively the difference between any two maps and to order the space of all maps. For each physical characteristic of interest, this technique assigns an 'output' function to each map; the difference between the maps is then determined from the difference between their corresponding output functions. In this present study, we show that the results of this procedure are invariant under a class of transformations of the maps and the domains of the maps. In addition, we study the propagation of errors (observational uncertainties) through this formalism. We show that the uncertainties in the output functions can be controlled provided that the signal to noise ratios in the original astrophysical maps are sufficiently high. The results of this paper thus increase the effectiveness of this formal system for the description, classification, and analysis of astrophysical maps.

Adams, Fred C.↗

Spitzer 24 Micron Observations of Optical/Near-Infrared-Selected Extremely Red Galaxies: Evidence for Assembly of Massive Galaxies at Z approximately equal to 1-2?

We carried out direct measurement of the fraction of dusty sources in a sample of extremely red galaxies with (R - Ks) >= 5.3 mag and Ks < 20:2 mag, using 24 micron data from the Spitzer Space Telescope. Combining deep 24 micron Ks- and R-band data over an area of ~64 arcmin(sup 2) in ELAIS N1 of the Spitzer First Look Survey (FLS), we find that 50% +/- 6% of our extremely red object (ERO) sample have measurable 24 micron flux above the 3 (sigma) flux limit of 40 (micro)Jy. This flux limit corresponds to a star formation rate (SFR) of 12 solar masses per year ~1, much more sensitive than any previous long-wavelength measurement. The 24 micron-detected EROs have 24 micron/2.2 micron and 24 micron/0.7 micron flux ratios consistent with infrared luminous, dusty sources at z >= 1, and are an order of magnitude too red to be explained by an infrared quiescent spiral or a pure old stellar population at any redshift. Some of these 24 micron-detected EROs could be active galactic nuclei; however, the fraction among the whole ERO sample is probably small, 10%-20%, as suggested by deep X-ray observations as well as optical spectroscopy. Keck optical spectroscopy of a sample of similarly selected EROs in the FLS field suggests that most of the EROs in ELAIS N1 are probably at z ~1. The mean 24 micron flux (167 (micro)Jy) of the 24 micron-detected ERO sample roughly corresponds to the rest-frame 12 micron luminosity, (nu)L(nu)(12 micron, of 3x10(exp 10)(deg) solar luminosities at z ~1. Using the c IRAS (nu)L(nu)(12 (micron) and infrared luminosity LIR(8-1000 (micron), we infer that the (LIR) of the 24 micron- detected EROs is 3 x 10(exp 11) and 1 x 10(exp 12) solar luminosities at z = 1.0 and similar to that of local luminous infrared galaxies (LIRGs) and ultraluminous infrared galaxies (ULIRGs). The corresponding SFR would be roughly 50-170 solar masses per year. If the timescale of this starbursting phase is on the order of 108 yr as inferred for the local LIRGs and ULIRGs, the lower limit on the masses of these 24 micron-detected EROs is 5 x 10(exp 9) to 2 x 10(exp 10) solar masses. It is plausible that some of the starburst EROs are in the midst of a violent transformation to become massive early type galaxies at the epoch of z ~1-2.

high redshift↗

Unusual ISS Rate Signature

On November 23, 2011 International Space Station Guidance, Navigation, and Control reported unusual pitch rate disturbance. These disturbances were an order of magnitude greater than nominal rates. The Loads and Dynamics team was asked to review and analyze current accelerometer data to investigate this disturbance. This paper will cover the investigation process under taken by the Loads and Dynamics group. It will detail the accelerometers used and analysis performed. The analysis included performing Frequency Fourier Transform of the data to identify the mode of interest. This frequency data is then reviewed with modal analysis of the ISS system model. Once this analysis is complete and the disturbance quantified, a forcing function was produced to replicate the disturbance. This allows the Loads and Dynamics team to report the load limit values for the 100's of interfaces on the ISS.

Laible, Michael R.↗

Filling-in of Far-Red and Near-Infrared Solar Lines by Terrestrial and Atmospheric Effects: Simulations and Space-Based Observations from SCHIAMACHY and GOSAT

Mapping of terrestrial vegetation fluorescence from space is of interest because it can potentially provide global information on the functional status of vegetation including light use efficiency and global primary productivity that can be used for global carbon cycle modeling. Space-based measurement of solar-induced chlorophyll fluorescence is challenging, because its signal is small as compared with the much larger reflectance signal. Ground- and aircraft-based approaches have made use of the dark and spectrally-wide 02-A (approx 760 nm) and O2-B (approx 690 nm) atmospheric features to detect the weak fluorescence signal. More recently, Joiner et a1. and Frankenberg et a1. focused on longer-wavelength solar Fraunhofer lines that can be observed with space-based instruments such as the currently operational GOSAT. They showed that fluorescence can be detected using Fraunhofer lines away from the far-red chlorophyll-a fluorescence peak even when the surface is relatively bright. Here, we build on that work by developing methodology to correct for instrumental artifacts that produce false filling-in signals that can bias fluorescence retrievals. We also examine other potential sources of filling-in at far-red and NIR wavelengths. Another objective is to explore the possibility of making fluorescence measurements from space with lower spectral resolution instrumentation than the GOSAT interferometer. We focus on the 866 nm Ca II solar Fraunhofer line. Very few laboratory and ground-based measurements of vegetation fluorescence have been reported at wavelengths longer than 800 mn. Some results of fluorescence measurements of corn leaves acquired in the laboratory using polychromatic excitation at wavelengths shorter than 665 nm show that at 866 nm, the measured signal is of the order of 0.1-0.2 mw/sq m/nm/sr. In this work we use the following satellite observations: We use SCIAMACHY channel 5 in nadir mode that covers wavelengths between 773 and 1063 nm at a spectral resolution of 0.54 nm. GOSAT has two instrument packages: the Thermal And Near-infrared Sensor for carbon Observation-Fourier Transform Spectrometer (TANSO-FTS) and the Cloud and Aerosol Imager (CAI). We use TANSO-FTS band 1, which extends from approximately 758 to 775 mn and we use cloud fraction derived from the CAL We compare satellite-derived fluorescence with the Enhanced Vegetation Index (EVI), an Aqua/MODIS-derived vegetation reflectance-based index that indicates relative greenness and is used to infer photosynthetic function.

Joiner, J.↗

Coupling Pulse Radiolysis with Nanosecond Time-Resolved Step-Scan Fourier Transform Infrared Spectroscopy: Broadband Mid-Infrared Detection of Radiolytically Generated Transients

We describe the first implementation of broadband, nanosecond time-resolved step-scan Fourier transform infrared (S 2 -FT-IR) spectroscopy at a pulse radiolysis facility. This new technique allows the rapid acquisition of nano- to microsecond time-resolved infrared (TRIR) spectra of transient species generated by pulse radiolysis of liquid samples at a pulsed electron accelerator. Wide regions of the mid-infrared can be probed in a single experiment, which often takes < 20–30 min to complete. It is therefore a powerful method for rapidly locating the IR absorptions of short-lived, radiation-induced species in solution, and for directly monitoring their subsequent reactions. Time-resolved step-scan FT-IR detection for pulse radiolysis thus complements our existing narrowband quantum cascade laser-based pulse radiolysis-TRIR detection system, which is more suitable for acquiring single-shot kinetics and narrowband TRIR spectra on small-volume samples and in strongly absorbing solvents, such as water. We have demonstrated the application of time-resolved step-scan FT-IR spectroscopy to pulse radiolysis by probing the metal carbonyl and organic carbonyl vibrations of the one-electron-reduced forms of two Re-based CO 2 reduction catalysts in acetonitrile solution. Transient IR absorption bands with amplitudes on the order of 1 × 10 −3 are easily detected on the sub-microsecond timescale using electron pulses as short as 250 ns.

(S2-FT-IR)↗

Thermal Stability of a Eutectic Mixture of Bis(2,2-dinitropropyl) Acetal and Formal: Part C. Kinetic Compensation Effect

Here, the aging behavior of a eutectic mixture of bis(2,2-dinitropropyl) acetal and formal [called NP here] has been studied in various atmospheres [dry (air or nitrogen) versus wet] at temperatures 70 °C and below. The properties of aged samples were analyzed using Fourier transform infrared (FTIR) spectroscopy, Karl Fischer (KF) titration, liquid chromatography/mass spectrometry (LC/MS), and thermogravimetric analysis (TGA) over a period of three years. The results indicate that at aging temperatures up to 55 °C, the initial rates of water production from nitrous acid (HONO) formation and decomposition into the water, NO, and NO 2 follows a 1st order rate law and the rate constants follow an Arrhenius law as a function of temperature. The activation energies and pre-factors for water and volatiles production yield a single linear kinetic compensation plot, suggesting a common degradation pathway between NP and the various combinations of its constituents. Within a narrow temperature range, around 55 °C, a trace amount of water in NP stabilizes its properties by preventing HONO elimination. When the aging temperature is substantially higher than 55 °C, the nature of the degradation mechanism changes. It is suspected that the degradation products of NO x , water, and HNO 3 serve as catalysts to auto-catalyze (kinetics beyond the 1st order) and further degrade NP. The effect of headspace volume on this auto-catalytic process will be discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Recent developments on 2D magnetic materials: challenges and opportunities

The emergence of two-dimensional (2D) magnetic materials exhibiting strong magnetization at ultrathin limits above room temperature are promising for miniaturization of devices beyond Moore’s law for future energy efficient nano-electronic devices. Here, the current status, different mechanisms for the existence of magnetism, spin current injection and other magnetic properties of monolayer to few-layers of various 2D magnetic materials are reviewed. Some of the promising applications of these materials are spintronics devices such as spin valves, spin tunnel field-effect transistors, and spin filtering magnetic tunnel junctions. Due to the tunable electronic properties of these 2D materials, it's quite interesting to inject the spin current with suitable ferromagnetic contacts. For instance,black phosphorus is a layered material with a small Schottky barrier height capable of injecting spin current. This review includes many recently explored 2D magnetic materials ranging from exfoliated 2D crystals to CVD grown materials from single to several layers, demonstrating tunable layer dependent magnetic properties. We also explore some of the promising theoretical study based on 2D magnetic compounds such as 2D alkali-based chromium chalcogenides, which shows ferromagnetic as well as semiconducting behavior. The layer-dependent magnetic ordering has been observed in layered compounds like 1T-CrTe 2 , VSe 2 , CrI 3 , and Fe 3 GeTe 2 , which have great potential for the future applications in magnetic based electronic devices. Finally, we emphasize the challenges, opportunities and future directions of the 2D magnetic materials, where new discoveries might have outstanding impact in transformational scientific breakthroughs towards memory, spintronics, optoelectronics and other multifunctional device applications.

36 MATERIALS SCIENCE↗

Piecewise linear approximation with minimum number of linear segments and minimum error: A fast approach to tighten and warm start the hierarchical mixed integer formulation

In several areas of economics and engineering, it is often necessary to fit discrete data points or approximate nonlinear functions with continuous functions. Piecewise linear (PWL) functions are a convenient way to achieve this. PWL functions can be modeled in mathematical problems using only linear and integer variables. Moreover, there is a computational benefit in using PWL functions that have the least possible number of segments. This work proposes a novel hierarchical mixed integer linear programming (MILP) formulation that identifies a continuous PWL approximation with minimum number of linear segments for a given target maximum error. The proposed MILP formulation also identifies the solution with the least maximum error among the solutions with minimum number of segments. Then, this work proposes a fast iterative algorithm that identifies non necessarily continuous PWL approximations by solving O(S log N) linear programming (LP) problems, where N is the number of data points and S is the minimum number of segments in the non necessarily continuous case. This work demonstrates that tight bounds for the MILP problem can be derived from these approximations. Next, a fast algorithm is introduced to transform a non necessarily continuous PWL approximation into a continuous one. Finally, the tight bounds and the continuous PWL approximations are used to tighten and warm start the MILP problem. The tightened formulation is shown in experimental results to be more efficient, especially for large data sets, with a solution time that is up to two orders of magnitude less than the existing literature.

97 MATHEMATICS AND COMPUTING↗

Pressure Induced Assembly and Coalescence of Lead Chalcogenide Nanocrystals

We report here pressure induced nanocrystal coalescence of ordered lead chalcogenide nanocrystal arrays into one dimensional (1D) and 2D nanostructures. In particular, atomic crystal phase transitions and mesoscale coalescence of PbS and PbSe nanocrystals have been observed and monitored in-situ respectively by wide- and small-angle synchrotron X-ray scattering techniques. At the atomic scale, both nanocrystals underwent reversible structural transformations from cubic to orthorhombic at significantly higher pressures than those for the corresponding bulk materials. At the mesoscale, PbS nanocrystal arrays displayed a superlattice transformation from face-centered cubic to lamellar structures, while no clear mesoscale lattice transformation was observed for PbSe nanocrystal arrays. Intriguingly, transmission electron microscopy (TEM) showed that the applied pressure forced both spherical nanocrystals to coalesce into single crystalline 2D nanosheets and 1D nanorods. Our results confirm that pressure can be used as a straightforward approach to manipulate the interparticle spacing and engineer nanostructures with specific morphologies, and therefore provide insights into the design and functioning of new semiconductor nanocrystal structures under high-pressure conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Advancing Mn-Based Li-Ion Battery Cathodes via a Partially Cation-Disordered Zigzag-Type Li–Nb–Mn–O Framework

Mn-based Li-ion battery cathodes encompass a great variety of materials structures. Decades of research effort have proven that developing a Mn-based structure featuring a high redox activity, stable cycling, and cost-effectiveness is a longstanding challenge. Motivated by such a need and inspired by the structural diversity of Mn-based cathodes, we develop a partially cation-disordered lithium niobium manganese oxide with a zigzag structure, filling the knowledge gap between zigzag-ordered and fully disordered Li-Mn-based oxides. Electrochemically, the partially disordered cathode greatly unlocks the redox activity of the zigzag lattice and maintains the cycling stability. Mechanism-wise, the partial disordering suppresses the disproportionation reaction of Mn(III) and facilitates a disordered λ-MnO 2 -tetragonal cation-disordered rock salt structural transformation. Furthermore, the work suggests the substantial opportunity of using partial disordering as the key strategy to revive locked-up redox activities and realize new energy storage mechanisms, for the pursuit of high-performance cost-effective battery materials.

25 ENERGY STORAGE↗

Proton beam quality enhancement by spectral phase control of a PW-class laser system

We report on experimental investigations of proton acceleration from solid foils irradiated with PW-class laser-pulses, where highest proton cut-off energies were achieved for temporal pulse parameters that varied significantly from those of an ideally Fourier transform limited (FTL) pulse. Controlled spectral phase modulation of the driver laser by means of an acousto-optic programmable dispersive filter enabled us to manipulate the temporal shape of the last picoseconds around the main pulse and to study the effect on proton acceleration from thin foil targets. The results show that applying positive third order dispersion values to short pulses is favourable for proton acceleration and can lead to maximum energies of 70 MeV in target normal direction at 18 J laser energy for thin plastic foils, significantly enhancing the maximum energy compared to ideally compressed FTL pulses. The paper further proves the robustness and applicability of this enhancement effect for the use of different target materials and thicknesses as well as laser energy and temporal intensity contrast settings. We demonstrate that application relevant proton beam quality was reliably achieved over many months of operation with appropriate control of spectral phase and temporal contrast conditions using a state-of-the-art high-repetition rate PW laser system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗