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At least 757 records · Page 42

Steering the methanol steam reforming reactivity of intermetallic Cu–In compounds by redox activation: stability vs . formation of an intermetallic compound–oxide interface

To compare the inherent methanol steam reforming properties of intermetallic compounds and a corresponding intermetallic compound–oxide interface, we selected the Cu–In system as a model to correlate the stability limits, self-activation and redox activation properties with the catalytic performance. Three distinct intermetallic Cu–In compounds – Cu 7 In 3 , Cu 2 In and Cu 11 In 9 – were studied both in an untreated and redox-activated state resulting from alternating oxidation–reduction cycles. The stability of all studied intermetallic compounds during methanol steam reforming (MSR) operation is essentially independent of the initial stoichiometry and all accordingly resist substantial structural changes. The inherent activity under batch MSR conditions is highest for Cu 2 In, corroborating the results of a Cu 2 In/In 2 O 3 sample accessed through reactive metal–support interaction. Under flow MSR operation, Cu 7 In 3 displays considerable deactivation, while Cu 2 In and Cu 11 In 9 feature stable performance at simultaneously high CO 2 selectivity. Here, the missing significant self-activation is most evident in the operando thermogravimetric experiments, where no oxidation is detected for any of the intermetallic compounds. In situ X-ray diffraction allowed us to monitor the partial decomposition and redox activation of the Cu–In intermetallic compounds into Cu 0.9 In 0.1 /In 2 O 3 (from Cu 7 In 3 ), Cu 7 In 3 /In 2 O 3 (from Cu 2 In) and Cu 7 In 3 /Cu 0.9 In 0.1 /In 2 O 3 (from Cu 11 In 9 ) interfaces with superior MSR performance compared to the untreated samples. Although the catalytic profiles appear surprisingly similar, the latter interface with the highest indium content exhibits the least deactivation, which we explain by formation of stabilizing In 2 O 3 patches under MSR conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Construction of an Anion-Pillared MOF Database and the Screening of MOFs Suitable for Xe/Kr Separation

The separation of xenon/krypton (Xe/Kr) mixtures is a challenging process. Many porous materials allow the adsorption of both Xe and Kr but only with low selectivity. Anion-pillared metal–organic frameworks (MOFs), featuring the anion groups as structural pillars, show potential in gas separations, but only a limited number of them have been synthesized. Here, we describe a collection of 936 anion-pillared MOFs based on 22 experimentally available structures. We performed density functional theory (DFT) optimization and then assigned density-derived electrostatic and chemical (DDEC) charges for each MOF to make them well suited to molecular simulations. The structural properties of the MOFs vary more strongly with the choice of the organic ligand than with other aspects like fluorine groups and metal centers. We then screened the entire collection of MOFs in the context of Xe/Kr separation at room temperature. Compared with previously reported MOFs, the interpenetrated MOF SIFSIX-6-Cd-i is predicted to perform better for Xe/Kr separations, with a good balance between working capacity (1.62 mmol/g) and separation selectivity (16.4) at 298 K and 100 kPa. Here, we also found that the heterogeneity of fluorine groups within a MOF can help to enhance Xe working capacity without reducing the Xe/Kr selectivity, suggesting that synthesis of anion-pillared MOFs with mixed fluorine groups may lead to improved Xe/Kr separation performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The direct deconvolution of X-ray spectra

The method of deconvolution of proportional counter X-ray spectra as outlined by Blissett and Cruise is reviewed with particular emphasis on low-energy spectra. This method involves the expansion of the incident spectrum in terms of a set of orthonormal singular functions which propagate independently through the detector matrix. When applied to low-energy detectors which typically exhibit absorption features in their efficiency curves, the initial Blissett and Cruise prescription is shown to be unstable. Alternative methods for handling the efficiency are described and evaluated. In the deconvolution of steep spectra, additional distortions are shown to arise as a result of sidelobe oscillations in the effective response functions. A selective weighting procedure is thus introduced to suppress spurious features of this type. Finally, the role of filtering in the deconvolution procedure is discussed and several suitable forms for the filter are suggested.

Kahn, S. M.↗

Recent progress in atomic-scale controlled plasma processing

Atomic-scale control in plasma processing is becoming increasingly critical for fabricating of advanced semiconductor devices, particularly as the industry shifts toward three-dimensional (3D) architectures and high-aspect-ratio (HAR) structures. This review presents a comprehensive overview of recent developments in atomic-scale controlled plasma processes, organized along two key directions: the hierarchical structure of plasma–surface interactions and the generational evolution of atomic layer processing (ALP) technologies. We examined the gas phase, where molecular design enables selective generation of ions and radicals; the boundary layer, where transport phenomena govern species delivery into nanoscale features, and the surface, where temperature-dependent reactions and cyclic processing determine etching selectivity and precision. Building on this foundation, we outline five generations of ALP—from thermal atomic layer deposition to transport-aware, temporally and structurally decoupled processes—highlighting the increasing sophistication of process control. The review further explores the transition from empirical recipe development to science-based, data-driven methodologies. By integrating quantum-chemical modeling, advanced diagnostics, and machine learning, we demonstrated how predictive models can link plasma species composition to process outcomes, enabling autonomous and adaptive control strategies. Finally, this review discusses the broader societal implications of plasma process innovation through the E4 quartet: energy and resource efficiency, environmental sustainability, evolutionary advancement, and educational promotion. These principles guide the development of sustainable and intelligent atomic-scale manufacturing technologies that are not only technically advanced but also socially responsible.

Ishikawa, Kenji [Nagoya Univ. (Japan)] (ORCID:0000↗

High allelic diversity in Arabidopsis NLRs is associated with distinct genomic features

Plants rely on Nucleotide-binding, Leucine-rich repeat Receptors (NLRs) for pathogen recognition. Highly variable NLRs (hvNLRs) show remarkable intraspecies diversity, while their low-variability paralogs (non-hvNLRs) are conserved between ecotypes. At a population level, hvNLRs provide new pathogen-recognition specificities, but the association between allelic diversity and genomic and epigenomic features has not been established. Our investigation of NLRs in Arabidopsis Col-0 has revealed that hvNLRs show higher expression, less gene body cytosine methylation, and closer proximity to transposable elements than non-hvNLRs. hvNLRs show elevated synonymous and nonsynonymous nucleotide diversity and are in chromatin states associated with an increased probability of mutation. Diversifying selection maintains variability at a subset of codons of hvNLRs, while purifying selection maintains conservation at non-hvNLRs. How these features are established and maintained, and whether they contribute to the observed diversity of hvNLRs is key to understanding the evolution of plant innate immune receptors.

59 BASIC BIOLOGICAL SCIENCES↗

Development of a Reference Design for a Cyber-Physical System

The purpose of this thesis is to develop a reference design to assist in the selection of security practices in power electronics design. A prototype will be developed from this reference design for evaluation. This evaluation will include a brief cost/benefit analysis to gauge the efficacy of implementing each layer of security throughout the power electronics design process. This thesis will also describe the obstacles and effectiveness of integrating a Trusted Platform Module (TPM) into a cyber-hardened grid-connected device. The TPM device is a secured crypto processor that assists in generating, storing, and restricting the use of cryptographic keys. The emphasis of this research is to establish integrity, authenticity, and confidentiality within a system by providing a baseline of security concerns for segments of the system. This research considers communication, control, and hardware level securities. The scope of this thesis will review the necessary security methods as well as consider the effects these methods have on the embedded system, to assess the desired security to responsiveness trade off. Applying this approach to a design process will alleviate various unknowns of appending security to a power electronics design. This thesis describes the specific vulnerabilities introduced within this grid-edge environment, and how the liabilities within the system can be mitigated. Initially, common security techniques will be considered to establish a guideline to benchmark performance and resource costs of the system. The foundation will be a non-hardened power electronic system platform with industry standard communication protocols. Several security techniques and attack vectors will then be evaluated to contribute to the base level platform. Other fail-safe features take place to gauge progress of the selected approach, non-inclusive to the TPM. Collectively, this investigation will determine a valid experiment by appraising and categorizing resource allocation, performance overhead, and monetary cost analysis results into a reference design. The prototype will then demonstrate methods to relieve common threats that are purposefully implemented into the design.

Blair, Nicholas Paul↗

Database-wide hazard modelling of the onset of DIII-D tearing modes with field features

The rate of onset (hazard) of tearing modes is modelled probabilistically using statistical learning algorithms. Axisymmetric energy-density equilibrium fields are taken as raw high-dimensional input features which are reduced with principal component analysis. Signal processing of non-axisymmetric magnetics fluctuation array data provides the target information from which to learn. Model selection, visualization and calibration assessment procedures are detailed. Here, the analysis is deployed at large scale across the DIII-D tokamak database. Standard model selection criteria suggest that the energy-density post-processed feature is a better choice for modelling the onset rate compared to the non-processed equilibrium reconstruction solution. Two example applications of the learned rate function are demonstrated: (i) proximity-to-onset discharge monitoring and (ii) database analysis showing an (expected) observational global trend that the general hazard increases as a plasma performance metric increases. An important connection between the hazard function and its use as a conditional probability generator is reviewed in the Appendix.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

An interactive machine learning platform for analyzing multi-particle coincidence data from cold target recoil ion momentum spectroscopy

We present SCULPT (Supervised Clustering and Uncovering Latent Patterns with Training), a comprehensive software platform for analyzing tabulated high-dimensional multi-particle coincidence data from Cold Target Recoil Ion Momentum Spectroscopy (COLTRIMS) experiments. The software addresses critical challenges in modern momentum spectroscopy by integrating advanced machine learning techniques with physics-informed analysis in an interactive web-based environment. SCULPT implements uniform manifold approximation and projection for non-linear dimensionality reduction to reveal correlations in high-dimensional data. We also discuss potential extensions to deep autoencoders for feature learning and genetic programming for automated discovery of physically meaningful observables. A novel adaptive confidence scoring system provides quantitative reliability assessments by evaluating user-selected clustering quality metrics with predefined weights that reflect each metric’s robustness. The platform features configurable molecular profiles for different experimental systems, interactive visualization with selection tools, and comprehensive data filtering capabilities. Utilizing a subset of SCULPT’s capabilities, we analyze photo-double-ionization data measured using the COLTRIMS method for three-body dissociation of the D 2 O molecule, revealing distinct fragmentation channels and their correlations with physics parameters. The software’s modular architecture and web-based implementation make it accessible to the broader atomic and molecular physics community, significantly reducing the time required for complex multi-dimensional analyses. This opens the door to finding and isolating rare events exhibiting non-linear correlations on the fly during experimental measurements, which can help steer exploration and improve the efficiency of experiments.

Artificial neural networks↗

Viking - The exploration of Mars

The Viking 1 and 2 spacecraft were launched in August and September, 1975 on a ten month journey to begin an in depth study of the nature, origin and evolution of Mars. Upon arrival at Mars, the previously selected Viking 1 landing site was found to be unsuitable and a new site was selected by means of cameras mounted on the Viking orbiter, which also revealed features suggesting a history of liquid water on the Martian surface. Once the new site in the Cryse basin was selected, the Viking 1 lander separated from the orbiter and landed on July 20, 1976, followed by the Viking 2 lander in August, 1976 at a site considerably to the north of the first site. At the two sites, scanning facsimile cameras allowed the panoramic imaging of the terrain and measurements were made of local atmospheric and soil compositions, temperatures, pressures, winds and seasonal changes. Soil analyzers have not detected the presence of organic materials at these sites, and although the results of the life detection experiments are ambiguous, the likelihood of life on Mars seems extremely remote.

Young, R. S.↗

Pattern recognition systems and procedures

The objectives of the pattern recognition tasks are to develop (1) a man-machine interactive data processing system; and (2) procedures to determine effective features as a function of time for crops and soils. The signal analysis and dissemination equipment, SADE, is being developed as a man-machine interactive data processing system. SADE will provide imagery and multi-channel analog tape inputs for digitation and a color display of the data. SADE is an essential tool to aid in the investigation to determine useful features as a function of time for crops and soils. Four related studies are: (1) reliability of the multivariate Gaussian assumption; (2) usefulness of transforming features with regard to the classifier probability of error; (3) advantage of selecting quantizer parameters to minimize the classifier probability of error; and (4) advantage of using contextual data. The study of transformation of variables (features), especially those experimental studies which can be completed with the SADE system, will be done.

Nelson, G. D.↗

Characteristics and selection of near-fault simulated earthquake ground motions for nonlinear analysis of buildings

Earthquake-induced ground shaking near rupturing faults is highly sensitive to the rupture characteristics, seismic wave propagation patterns and site conditions, and field recordings of near-fault shaking are relatively sparse. These challenges complicate the assessment of the seismic performance of near-fault structures. A common approach to representing near-fault ground motion in engineering analysis is to explicitly consider and select records with strong directivity pulses (pulse records). We use three-dimensional high-resolution physics-based earthquake simulations to test this approach in the context of scenario-based ground motion record selection, and to study the important characteristics of near-fault ground shaking. We highlight the deficiencies associated with classifying near-fault simulated records as “pulse” or “non-pulse,” based on the presence of a single dominating pulse in the velocity time history. We show that this approach is inadequate for characterizing near-fault shaking on soft soils which can be dominated by both forward rupture directivity and basin amplification effects. We conduct ground motion selection experiments for the analysis of near-fault structures with and without explicit classification of the pulse features in the records, and evaluate the bias in the predicted structural demands. We find that the maximum interstory drift demands on building structures imposed by unscaled site-specific simulated ground motion records selected based on relevant spectral shape features are not sensitive to the classification of records as pulse/non-pulse. Therefore, with regard to predicting the maximum interstory drifts in near-fault buildings, we do not find justification for the binary pulse classification of near-fault records.

42 ENGINEERING↗

Propagation and selective transmission of internal gravity waves in a sudden warming

Longitudinally asymmetric features of gravity wave propagation in a sudden warming are examined theoretically, using observed geostrophic wind fields in the stratosphere for three days of winter 1979. It is shown that the wind patterns accompanying a sudden warming act to reduce, but not eliminate, quasi-stationary gravity wave propagation to the mesosphere. The onset of large-amplitude planetary waves leads to the formation of propagating zones and forbidden zones for gravity waves of intermediate horizontal scale (50-200 km). Lateral ray movement and horizontal refraction are secondary but observable effects for these waves. To the extent that these waves are excited isotropically in the troposphere, it is possible to evaluate the direction and magnitude of the average wavevector reaching the mesosphere as follows. Stationary waves with wavevector orthogonal to the local mean flow are selectively absorbed in the stratosphere, implying that for these waves the average wavevector transmitted to the mesosphere is antiparallel to the average of the mean flow orientation extrema in the underlying stratosphere.

Dunkerton, T. J.↗

Circularity in Sequence-Controlled Copolyamides Enabled by Regioselective Enzymatic Hydrolysis

Sequence-controlled polymers enable precise control over macromolecular structures and function, but both their synthesis and end-of-life management remain fundamental challenges. Achieving high sequence fidelity is synthetically demanding, and conventional depolymerization methods lack regioselectivity, leading to irreversible loss of encoded molecular information and limiting polymer circularity. Enzymatic catalysis offers a potential solution by combining substrate specificity with selective bond cleavage. Here, we report the synthesis, characterization, and regioselective enzymatic depolymerization of poly- (X,AMA), a sequence-controlled copolyamide composed of alternating hexamethylenediamine−adipic acid (MA) and pxylylenediamine− adipic acid (XA) repeat units. Poly(X,AMA) was synthesized via solid-state polycondensation (SSP) of sequence-defined oligomers, enabling precise control over repeat-unit order. Polymer microstructure and sequence fidelity were confirmed by 13 C NMR spectroscopy and MALDI−TOF mass spectrometry. Comparison with a statistical copolymer analogue and Nylon-66 demonstrated pronounced differences in crystallinity, morphology, and thermal behavior arising from sequence control. Screening of 96 Nylon hydrolase homologues against poly(X,AMA) revealed strongly enzyme-dependent depolymerization profiles. While tetrad formation was generally favored, enzymes displayed pronounced sequence selectivity, preferentially releasing distinct sequence-defined tetrads XAMA or MAXA. SSP of sequence-defined tetrad MAXA produced a copolyamide with near identical monomer ordering as poly(X,AMA). Computational modeling of enzyme−substrate complexes identified structural features consistent with the observed regioselectivity. Together, these results establish selective enzymatic depolymerization as a viable strategy for the circular recycling of sequence-controlled polymers and provide a foundation for the rational engineering of enzymes for programmable polymer deconstruction.

Amides↗

Radiation and Nuclear Technology in Planetary Cave Environments

Many technological and environmental challenges must be resolved to enable successful lunar habitation and exploration, and to maximize scientific return. This presentation is intended as a preliminary discussion on three such areas of interest with the intent to identify likely areas of mutual benefit for collaboration and data sharing between the space nuclear and radiological disciplines with the planetary cave community. First is the previously identified and studied possible application of lunar lava tubes or pits to reduce the solar and cosmic radiation environment burden on crew health and hardware reliability. This is an area of continued interest, and should be kept in the forefront of discussion during the selection of sites for potential exploration or long-term habitation. In theory, the prospect of using existing morphology presents an enticing opportunity to reduce the requirements on landed mass or construction while also reducing dose or fluence of harmful natural radiation. However, such discussions should also include the practical implications of relocating habitation hardware and personnel from a landing site to a subsurface location. Inherent risks associated with landing in proximity to the relevant terrain must also be considered and weighed against those imposed by the natural radiation environment. Second is a discussion on the means by which a long-term habitation module or base of operations may be powered throughout the lunar day-night cycle. Fission surface power presents an opportunity to establish round-the-clock power in any lunar surface environment, including permanently shadowed regions where solar panels cannot operate, or in any other non-polar region where solar radiation is available for no more than two weeks per four-week cycle. Among the drawbacks of fission surface power is the need to either land and co-locate a heavy shield to minimize radiological consequences to personnel or equipment, land and operate construction equipment capable of restructuring the in-situ regolith to provide appropriate shielding, or to make use of existing topology features (e.g. craters or pits) to serve as pre-formed radiation barriers. A realistic assessment of the practicality of this third option should involve the selection of candidate features from existing surveys, and assess the effectiveness of the approach using modern radiation transport methodologies. Consideration must be made for the needs to reject waste heat in the thermal power conversion process, which typically requires the use of large area radiators. Energy must be exchanged from the reactor and power conversion system to such radiators, and the impacts on thermal efficiency and secondary scatter of nuclear radiation must be considered. Further consideration should be made for the implications of placement of a power source such that it does not sacrifice valuable scientific opportunity. Placement of a reactor is likely to thereafter prevent personnel access within that feature. Third is a discussion on the use of portable radioisotope power systems (RPS) within confined spaces, both with respect to the dose effects of emitted nuclear radiation and also performance associated with emitted thermal radiation. Radioisotope power systems provide a unique capability to power objects with no reliance upon solar radiance. However, their useable power production relies upon the flow of heat from ‘hot side’ (decaying radioisotope) to ‘cold side’ (radiators emitting heat to space). In the case of a confined volume in vacuum such as a lunar lava tube, that radiated energy will absorb into the wall, which is already above the ‘cold background’ temperature of dark space, and then gradually rises in temperature. That temperature rise, and its implications on availability of useable electrical power, will depend upon factors such as enclosure volume, thermal emissivity/absorptivity, and thermal conductivity through the depth of absorbing media. The advantages of nuclear technology may prove to enable unique scientific exploration opportunities, both above the lunar surface and below. In turn, the unique advantages of lunar lava tubes or pits may present unique opportunities to enhance the application of these technologies and to mitigate the effects of radiation from both natural and technological sources. A discussion on these pairings may prove to be valuable to all, in our endeavor to explore our neighboring worlds.

Radiation↗

Satellite Power Systems (SPS) concept definition study, exhibit C. Volume 7: System/subsystem requirements data book

Volume 7 of the Satellite Power Systems (SPS) Concept Definition Study final report summarizes the basic requirements used as a guide to systems analysis and is a basis for the selection of candidate SPS point design(s). Initially, these collected data reflected the level of definition resulting from the evaluation of a broad spectrum of SPS concepts. As the various concepts matured these requirements were updated to reflect the requirements identified for the projected satellite system/subsystem point design(s). The identified subsystem/systems requirements are defined, and where appropriate, recommendations for alternate approaches which may represent improved design features are presented. A more detailed discussion of the selected point design(s) will be found in Volume 2 of this report.

Hanley, G. M.↗

Physics guided machine learning using simplified theories

Recent applications of machine learning, in particular deep learning, motivate the need to address the generalizability of the statistical inference approaches in physical sciences. In this Letter, we introduce a modular physics guided machine learning framework to improve the accuracy of such data-driven predictive engines. The chief idea in our approach is to augment the knowledge of the simplified theories with the underlying learning process. To emphasize their physical importance, our architecture consists of adding certain features at intermediate layers rather than in the input layer. To demonstrate our approach, we select a canonical airfoil aerodynamic problem with the enhancement of the potential flow theory. We include the features obtained by a panel method that can be computed efficiently for an unseen configuration in our training procedure. By addressing the generalizability concerns, our results suggest that the proposed feature enhancement approach can be effectively used in many scientific machine learning applications, especially for the systems where we can use a theoretical, empirical, or simplified model to guide the learning module.

42 ENGINEERING↗

Spectral emission characteristics near 646 nm and plasma properties of laser-induced plasma of gaseous uranium hexafluoride

We present a detailed investigation of the temporal evolution of line and continuum emissions in laser-induced breakdown spectroscopy (LIBS) of gaseous uranium hexafluoride (UF 6 ), focusing on the spectral region near 646 nm. Spectral emission features, signal-to-background ratios (SBRs) of selected uranium lines, and spectral linewidths were examined under varying UF 6 pressures (15–60 Torr) and laser pulse energies (10–60 mJ). Higher pressures and pulse energies enhanced continuum emission and reduced SBRs but did not cause significant spectral congestion. Additional studies with the use of different laser systems, including nanosecond-pulsed Nd:YAG lasers (at fundamental and various harmonics) and a femtosecond-pulsed Ti:sapphire laser, revealed long-lived plasma continua in all cases. This persistent continuum is attributed to a pseudo-continuum from overlapping molecular emissions, as its intensity scales linearly with electron number density, deviating from the expected quadratic dependence of classical ion–electron interactions for free-free and free-bound continuum emission. Based on plasma persistence time, SBR, U II/U I intensity ratios, and electronic excitation temperature, no fundamental advantage was found for femtosecond-pulsed lasers over conventional nanosecond-pulsed ones for UF 6 enrichment assay with direct LIBS measurement.

Laser-induced breakdown spectroscopy↗

Affinity-matured homotypic interactions induce spectrum of PfCSP structures that influence protection from malaria infection

The generation of high-quality antibody responses to Plasmodium falciparum (Pf) circumsporozoite protein (PfCSP), the primary surface antigen of Pf sporozoites, is paramount to the development of an effective malaria vaccine. Here we present an in-depth structural and functional analysis of a panel of potent antibodies encoded by the immunoglobulin heavy chain variable (IGHV) gene IGHV3-33, which is among the most prevalent and potent antibody families induced in the anti-PfCSP immune response and targets the Asn-Ala-Asn-Pro (NANP) repeat region. Cryo-electron microscopy (cryo-EM) reveals a remarkable spectrum of helical antibody-PfCSP structures stabilized by homotypic interactions between tightly packed fragments antigen binding (Fabs), many of which correlate with somatic hypermutation. We demonstrate a key role of these mutated homotypic contacts for high avidity binding to PfCSP and in protection from Pf malaria infection. Together, these data emphasize the importance of anti-homotypic affinity maturation in the frequent selection of IGHV3–33 antibodies and highlight key features underlying the potent protection of this antibody family.

60 APPLIED LIFE SCIENCES↗