Search NASA⌕ Search

SEARCH · Search NASA

Results for “Loss function”

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.

At least 271 records · Page 15

Pre-Bleaching Coral Microbiome Is Enriched in Beneficial Taxa and Functions

Coral reef health is tightly connected to the coral holobiont, which is the association between the coral animal and a diverse microbiome functioning as a unit. The coral holobiont depends on key services such as nitrogen and sulfur cycling mediated by the associated bacteria. However, these microbial services may be impaired in response to environmental changes, such as thermal stress. A perturbed microbiome may lead to coral bleaching and disease outbreaks, which have caused an unprecedented loss in coral cover worldwide, particularly correlated to a warming ocean. The response mechanisms of the coral holobiont under high temperatures are not completely understood, but the associated microbial community is a potential source of acquired heat-tolerance. Here we investigate the effects of increased temperature on the taxonomic and functional profiles of coral surface mucous layer (SML) microbiomes in relationship to coral–algal physiology. We used shotgun metagenomics in an experimental setting to understand the dynamics of microbial taxa and genes in the SML microbiome of the coral Pseudodiploria strigosa under heat treatment. The metagenomes of corals exposed to heat showed high similarity at the level of bacterial genera and functional genes related to nitrogen and sulfur metabolism and stress response. The coral SML microbiome responded to heat with an increase in the relative abundance of taxa with probiotic potential, and functional genes for nitrogen and sulfur acquisition. Coral–algal physiology significantly explained the variation in the microbiome at taxonomic and functional levels. These consistent and specific microbial taxa and gene functions that significantly increased in proportional abundance in corals exposed to heat are potentially beneficial to coral health and thermal resistance.

59 BASIC BIOLOGICAL SCIENCES↗

PV backsheets survey protocol: A framework for geo-spatial field surveys for bulk material characterization and reliability analysis applied across 41 PV systems

As widespread adoption of photovoltaic (PV) technologies continues, understanding the lifetime of modules is paramount to the viability of the industry as an environmentally conscious alternative to traditional energy generation. Although power degradation can affect the total energy production of a module over its lifetime, module safety failures necessitate the removal of a module leading to a loss of not only the particular asset, but the earning potential of the device. Therefore, it is critical to ensure that the components that provide essential safety functions for PV module operate for their entire rated lifetime. PV backsheets provide necessary electrical insulation to the completed device and failure of this component is cause for a immediate removal of the module. Degradation of the PV module backsheet has led to module safety failures in large-scale installations, costing millions of dollars in damages and lost potential revenue. The spatio-temporal degradation of fielded PV modules is important to study in order to identify which modules within installations are experiencing the greatest exposure conditions and in turn have the highest chance of failure. This paper describes a comprehensive field survey protocol developed for monitoring PV module backsheet performance using solely non-destructive methods in commercial PV fields. The protocol establishes a field naming convention, sampling method, data handling requirements, and measurement procedures. By ensuring consistent data collection practices, the field survey protocol enables research groups to obtain data of uniform quality on backsheet performance over multiple years and locations. In this study, the developed protocol was implemented at forty-one PV sites. Eight different types of airside layer backsheet materials including poly(vinylidene fluoride) (PVDF), acrylic PVDF, poly(tetrafluoroethylene-co-hexafluoropropylene-co-vinylidene fluoride) (THV), poly(vinyl fluoride) (PVF), poly(ethylene terephthalate) (PET), fluoroethylene vinyl ether (FEVE), polyethylene naphthalate (PEN), and glass were identified using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy. The field survey results show that the spatial distribution of degradation indicators are non-uniform within a particular module, individual site, and across site locations. The degradation of PV modules increased in severity for modules mounted at the edge of rows (across a field) and near the junction box (within a module). This study demonstrates the sensitivity of material performance to exposure length across different materials and climates.

14 SOLAR ENERGY↗

CO 2 Capture with Capsules of Ionic Liquid/Amines

Carbon capture remains an urgent issue that has gained a great deal of attention over the past few decades. Aqueous amines have excellent selectivity, but present corrosion and volatility issues, whereas ionic liquids (ILs) have negligible volatility and tunable physical properties, but high viscosities. One approach to improve the practical performance of these liquids is encapsulating them in a CO 2 permeable polymer shell to enhance the accessibility of the liquid and the CO 2 absorption rate. In this work, we report the encapsulation of a mixture of amine and IL (i.e., monoethanolamine (MEA) and 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF 4 ])) and demonstrate enhanced carbon capture performance. A soft-template approach and interfacial polymerization are used to give capsules with liquid core (64 wt %) and polyurea shell. Compared to the bulk liquid, the encapsulated liquid shows improved thermal stability over cycles of absorption at 25 °C, and desorption at 75 °C. The capsules with core of [BMIM][BF 4 ]-MEA show 0.2 mol CO 2 /kg of capsules at 1 bar CO 2 , compared to the bulk liquid, which has 0.05 mol CO 2 /kg of sorbent. This is attributed to the limited evaporation of the amines. Alternatively, the same capsules but with 5 wt % of piperazine (Pz) in the core have doubled gravimetric CO 2 capacity of the capsules (0.4 mol CO 2 /kg of capsules); performance is evaluated over 10 capture–release cycles showing minimal mass loss. Characterization of the CO 2 uptake of the polymer shell itself reveals that the shell contributes only ~10% of the observed capacity, likely attributed to amine functionalities of the polymer. Here, this facile approach to encapsulating such “active” liquids can be applied to other CO 2 selective solvents that are volatile, viscous, and corrosive.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Unique trajectory of gene family evolution from genomic analysis of nearly all known species in an ancient yeast lineage

Gene gains and losses are a major driver of genome evolution; their precise characterization can provide insights into the origin and diversification of major lineages. Here, we examined gene family evolution of 1154 genomes from nearly all known species in the medically and technologically important yeast subphylum Saccharomycotina. We found that yeast gene family evolution differs from that of plants, animals, and filamentous ascomycetes, and is characterized by smaller overall gene numbers yet larger gene family sizes for a given gene number. Faster-evolving lineages (FELs) in yeasts experienced significantly higher rates of gene losses—commensurate with a narrowing of metabolic niche breadth—but higher speciation rates than their slower-evolving sister lineages (SELs). Gene families most often lost are those involved in mRNA splicing, carbohydrate metabolism, and cell division and are likely associated with intron loss, metabolic breadth, and non-canonical cell cycle processes. Our results highlight the significant role of gene family contractions in the evolution of yeast metabolism, genome function, and speciation, and suggest that gene family evolutionary trajectories have differed markedly across major eukaryotic lineages.

Comparative Genomics↗

Design and Characterization of Highly Diffusive Turbine Vanes Suitable for Transonic Rotating Detonation Combustors

In rotating detonation engines the turbine inlet conditions may be transonic with unprecedented unsteady fluctuations. To ensure an acceptable engine performance, the turbine passages must be suited to these conditions. This article focuses on designing and characterizing highly diffusive turbine vanes to operate at any inlet Mach number up to Mach 1. First, the effect of pressure loss on the starting limit is presented. Afterward, a multi-objective optimization with steady RANS simulations, including the endwall and 3D vane design is performed. Compared to previous research, significant reductions in pressure loss and stator-induced rotor forcing are obtained, with an extended operating range and preserving high flow turning. Finally, the influence of the inlet boundary layer thickness on the vane performance is evaluated, inducing remarkable increases in pressure loss and downstream pressure distortion. Employing an optimization with a thicker inlet boundary layer, specific endwall design recommendations are found, providing a notable improvement in both objective functions.

Grasa, Sergio↗

A tale of two extremes: Temperature sensitivity of carbon loss from cool and hot soils

Soils represent the largest terrestrial carbon (C) pool, and the flux of carbon dioxide (CO 2 ) from soils to the atmosphere is ~ 6-10 times more than anthropogenic emissions. Understanding responses of soil CO 2 emissions to warming is crucial for evaluating feedback to ongoing environmental changes. The relationship between microbial respiration and temperature is typically modeled using a Q 10 function. Generally, observations of the apparent Q 10 of soil respiration are higher for cold vs. warm ecosystems, reflecting expected biophysical controls of Arrhenius kinetics. However, results from two field warming experiments in the tropics contradict this expectation, both observing extraordinarily high soil respiration responses to in situ warming. Our overall objective for the proposed work is to reduce uncertainty in temperature sensitivity of soil C loss by systematically synthesizing underlying mechanisms related to soil C turnover and stabilization. We are evaluating the temperature sensitivity of soil respiration in ecosystems across temperature extremes (e.g., arctic/boreal and tropical systems) by integrating data collected from field warming experiments with machine learning and biogeochemical models.

54 ENVIRONMENTAL SCIENCES↗

Thermo-hydraulic steam pipe models for district heating simulations: Simplifications to balance accuracy and simulation speed

Steam piping networks are essential for optimizing performance in industrial processes and district heating systems. However, dynamic models that balance thermo-hydraulic accuracy with computational efficiency remain limited. In response, this paper presents a new discretized steam pipe model based on the plug flow approach, capturing key thermo-hydraulic behaviors while simplifying steam phase change processes. Implemented in Modelica, the model accurately calculates temperature and pressure distributions along steam pipelines. To improve computational efficiency for district-scale simulations, five model simplifications are introduced: lumped thermo-hydraulic functions, empirical correlations, fluid state approximations, steady-state dynamics and inclusion of flow derivatives. These simplified models achieve 85%-98% accuracy in predicting pressure drop and condensation losses, including dynamic condensate behavior during pipe warm-up—a factor often overlooked in existing models. The models support diverse network configurations, scaling effectively to systems with multiple distribution pipes and connected building loads. Discrete models provide detailed insights but exhibit a cubic increase in simulation time as the network scales by N connected building O(N 2.42 ). In contrast, lumped models simulate 10–28 times faster than discrete, offering quadratic scaling of simulation time O(N 1.73 ). However, they still require 6 times more computation time than a lossless network, highlighting the inherent computational challenges of modeling compressible fluid flow. In conclusion, the steady-state lumped variant, with its near-linear scalability in computational time O(N 1.01 ), emerges as an efficient solution for preliminary design evaluations and extensive parametric studies.

15 GEOTHERMAL ENERGY↗

Satellite Metallicity Enhancement I: Suppressed Star Formation, Stellar Mass Loss, and Enriched Inflow of DESI and EAGLE Galaxies around Massive Clusters

Environmental effects are a primary driver of elevated gas-phase metallicities in galaxies around massive clusters, but the underlying physical mechanisms for this satellite metallicity enhancement (SME) are still unclear. Using the Dark Energy Spectroscopic Instrument (DESI) Data Release 1, we present the first measurement of the average SME as a function of projected cluster-centric distance. The resulting profile reveals three distinct regimes: a steep decline from the cluster center, a plateau near the cluster boundary, and an extended downturn across several cluster radii. Remarkably, the complex shape and amplitude of this observed SME profile are successfully reproduced in the EAGLE cosmological simulation. Drawing insights from EAGLE, we develop a novel satellite chemical evolution model to decompose the observed SME into physical contributions from suppressed star formation, stellar mass loss, and enriched gas inflow. Our analysis shows that continuous accretion of enriched intracluster medium dominates the SME plateau within the cluster virial radius, while mass loss and quenching jointly drive the rapid metallicity decline in the cluster core. Our method disentangles the impacts of three environmental processes on galactic chemical enrichment in the cosmic web, providing a powerful framework for understanding cluster galaxy evolution with current and future spectroscopic surveys.

Lin, Yuanye [Shanghai Jiao Tong U.; Shanghai Jiaot↗

Charge Separation at Organic Interfaces with Near-Zero Energy Offset: A Step toward Designing Inorganic-like Organic Semiconductors

For organic semiconductors, it is often presumed that an energy level offset at the donor–acceptor (D-A) interface is required to provide the driving force for charge separation (CS). This energy level offset unavoidably leads to a voltage loss in organic photovoltaics. In this work, by using zinc phthalocyanine (ZnPc) and fluorinated zinc phthalocyanine (F 4 ZnPc) as a model D/A interface, we found that spontaneous CS, with an enthalpy increase of ∼0.3–0.4 eV, can occur even with an interfacial energy offset as small as ∼0.1 eV. This enthalpy-increase CS process is driven by entropy. The entropic driving force can be enhanced by two factors: (1) a point-like spatial contact between the delocalized electron and hole wave function in the charge transfer exciton; (2) a small band bending near the interface originating from long-range electrostatic interaction. Our work demonstrates that effective CS can occur at interfaces with a near-zero energy level offset, which means that the energy loss at the D/A interface can be avoided.

36 MATERIALS SCIENCE↗

X-ray Photoelectron Spectroscopy Analysis of Nafion-Containing Samples: Pitfalls, Protocols, and Perceptions of Physicochemical Properties

X-ray photoelectron spectroscopy (XPS) is one of the most common techniques used to analyze the surface composition of catalysts and support materials used in polymer electrolyte membrane (PEM) fuel cells and electrolyzers, providing important insights for further improvement of their properties. Characterization of catalyst layers (CLs) is more challenging, which can be at least partially attributed to the instability of ionomer materials such as Nafion during measurements. This work explores the stability of Nafion during XPS measurements, illuminating and addressing Nafion degradation concerns. The extent of Nafion damage as a function of XPS instrumentation, measurement conditions, and sample properties was evaluated across multiple instruments. Results revealed that significant Nafion damage to the ion-conducting sulfonic acid species (>50% loss in sulfur signal) may occur in a relatively short time frame (tens of minutes) depending on the exact nature of the sample and XPS instrument. This motivated the development and validation of a multipoint XPS data acquisition protocol that minimizes Nafion damage, resulting in reliable data acquisition by avoiding significant artifacts from Nafion instability. The developed protocol was then used to analyze both thin film ionomer samples and Pt/C-based CLs. Comparison of PEM fuel cell CLs to Nafion thin films revealed several changes in Nafion spectral features attributed to charge transfer due to interaction with conductive catalyst and support species. This study provides a method to reliably characterize ionomer-containing samples, facilitating fundamental studies of the catalyst-ionomer interface and more applied investigations of structure-processing-performance correlations in PEM fuel cell and electrolyzer CLs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Search for the jet-induced diffusion wake in the quark-gluon plasma via measurements of jet-track correlations in photon-jet events in Pb+Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV with the ATLAS detector

This paper presents a measurement of jet-track correlations in photon-jet events, using 1.72 nb −1 of Pb+Pb data at $\sqrt{s_{NN}}$ = 5.02TeV recorded with the ATLAS detector at the LHC. Events with energetic photon-jet pairs are selected, where the photon and jet are approximately back-to-back in azimuth. The angular correlation between jets and charged-particle tracks with transverse momentum (𝑝 T ) in the range 0.5–2.0 GeV in the hemisphere opposite to the jet, |Δ⁢𝜙(jet,track)|>𝜋/2, is measured as a function of their relative pseudorapidity difference, |Δ⁢𝜂(jet,track)|. In central Pb+Pb collisions, these correlations are predicted to be sensitive to the diffusion wake in the quark-gluon plasma resulting from the lost energy of high-𝑝T partons traversing the plasma, with a characteristic modification as a function of |Δ⁢𝜂(jet,track)|. The correlations are examined with different selections on the jet-to-photon 𝑝 T ratio to select events with different degrees of energy loss. No diffusion wake signal is observed within the current sensitivity and upper limits at 95% confidence level on the diffusion wake amplitude are reported.

heavy flavor physics↗

A Review of Advanced Characterization Methods and Techniques for Amorphous and Poorly Crystalline Materials Applicable to Cementitious Waste Forms

This review covers advanced characterization methods of cementitious materials. The particular focus is to understand cementitious compositions with amorphous content because conventional techniques such as X-ray diffraction are more applicable to materials with long range order. Also of interest is advanced characterization that provides deeper insights into properties such as porosity. There are five groups of characterization methods discussed in this review which are: electron beam/microscopy, X-ray, neutron diffraction and scattering, nuclear magnetic resonance, and optical techniques. The techniques can be further grouped by the categories of nanoscale structural understanding (transmission electron microscopy and pair distribution function), microscale structural understanding (focused ion beam and x-ray tomography), microscopic elemental distributions (energy dispersive spectroscopy and X-ray fluorescence), and chemical binding information (electron energy loss spectroscopy, x-ray absorption spectroscopy, nuclear magnetic resonance, Raman spectroscopy, and infrared spectroscopy), with advantages and disadvantages of each method discussed. The recommendation for further research is to begin with techniques that are easier to prepare samples for, measure, and analyze, such as the optical techniques of Raman and infrared spectroscopy. If more information is needed, pursue collaborations, other techniques, or proposals for beam time at the synchrotron sources.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

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↗

Doping liquid argon with xenon in ProtoDUNE Single-Phase: effects on scintillation light

Doping of liquid argon TPCs (LArTPCs) with a small concentration of xenon is a technique for light-shifting and facilitates the detection of the liquid argon scintillation light. In this paper, we present the results of the first doping test ever performed in a kiloton-scale LArTPC. From February to May 2020, we carried out this special run in the single-phase DUNE Far Detector prototype (ProtoDUNE-SP) at CERN, featuring 720 t of total liquid argon mass with 410 t of fiducial mass. A 5.4 ppm nitrogen contamination was present during the xenon doping campaign. The goal of the run was to measure the light and charge response of the detector to the addition of xenon, up to a concentration of 18.8 ppm. The main purpose was to test the possibility for reduction of non-uniformities in light collection, caused by deployment of photon detectors only within the anode planes. Light collection was analysed as a function of the xenon concentration, by using the pre-existing photon detection system (PDS) of ProtoDUNE-SP and an additional smaller set-up installed specifically for this run. In this paper we first summarize our current understanding of the argon-xenon energy transfer process and the impact of the presence of nitrogen in argon with and without xenon dopant. We then describe the key elements of ProtoDUNE-SP and the injection method deployed. Two dedicated photon detectors were able to collect the light produced by xenon and the total light. The ratio of these components was measured to be about 0.65 as 18.8 ppm of xenon were injected. We performed studies of the collection efficiency as a function of the distance between tracks and light detectors, demonstrating enhanced uniformity of response for the anode-mounted PDS. We also show that xenon doping can substantially recover light losses due to contamination of the liquid argon by nitrogen.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

In situ electric-field control of ferromagnetic resonance in the low-loss organic-based ferrimagnet V[TCNE] x ∼2

We demonstrate indirect electric-field control of ferromagnetic resonance (FMR) in devices that integrate the low-loss, molecule-based, room-temperature ferrimagnet vanadium tetracyanoethylene (V[TCNE]x∼2) mechanically coupled to PMN-PT piezoelectric transducers. Upon straining the V[TCNE]x films, the FMR frequency is tuned by more than 6 times the resonant linewidth with no change in Gilbert damping for samples with α = 6.5 × 10−5. We show this tuning effect is due to a strain-dependent magnetic anisotropy in the films and find the magnetoelastic coefficient |λs| ∼ (1–4.4) ppm, backed by theoretical predictions from density-functional theory calculations and magnetoelastic theory. Noting the rapidly expanding application space for strain-tuned FMR, we define a new metric for magnetostrictive materials, magnetostrictive agility, given by the ratio of the magnetoelastic coefficient to the FMR linewidth. This agility allows for a direct comparison between magnetostrictive materials in terms of their comparative efficacy for magnetoelectric applications requiring ultra-low loss magnetic resonance modulated by strain. With this metric, we show V[TCNE]x is competitive with other magnetostrictive materials, including YIG and Terfenol-D. This combination of ultra-narrow linewidth and magnetostriction, in a system that can be directly integrated into functional devices without requiring heterogeneous integration in a thin film geometry, promises unprecedented functionality for electric-field tuned microwave devices ranging from low-power, compact filters and circulators to emerging applications in quantum information science and technology.

Materials Science↗

Dielectric Resonator Design for Low Power and Low Temperature Microwave Plasma

Waveguide-based microwave plasmas generally operate at high temperatures (2000 - 6000K)[1], making it difficult to directly interface solid materials with the plasma without significant thermal damage. Dielectric microwave resonators (DMRs), long studied for wave-based manipulation of electromagnetic radiation for telecom and optics, can focus radiation to extremely small mode volumes, creating intense localized fields with low-power input.[2] This phenomenon can be used for applications ranging from efficient plasma electronics to near-ambient plasma-materials interactions. Such DMR-based plasmas have been demonstrated a handful of times in the literature, but the majority of research towards this utilize the lowest frequency resonance mode.[3], [4], [5] By carefully controlling the geometry of cylindrical resonators, a variety of electromagnetic modes can be excited. In this work, COMSOL Multiphysics simulations are used to study the electric field enhancement and absorption properties of CaTiO3 DMRs as a function of geometry and excitation frequency. Whereas previous studies have utilized the HEM111 resonance frequency to drive low power plasma excitation, we find that higher order resonance frequencies are more effective at field enhancement and result in less power loss within the dielectric material, hence less wasted heating. The effectiveness of these modes is also geometry dependent and can be computationally optimized for plasma generation. Complementing these computational efforts, we demonstrate a new closed-system reactor design built in a WR-650 waveguide and experimentally demonstrate the formation of atmospheric argon microwave plasma using < 30 W input power on DMR dimers. We observe a shifting resonance frequency as the DMRs heat in response to microwave excitation and develop a Python-based lock-in mechanism to effectively track the DMR resonance over time, leading to stable plasma operation. We use infrared thermal imaging to monitor the temperature of the DMR dimers and surrounding quartz chamber, demonstrating thermal temperatures < 60 degreesC. Finally, we utilize optical emission spectroscopy (OES) to probe the plasma properties as a function of the resonance mode.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Cryogenic growth of aluminum: Structural morphology, optical properties, superconductivity, and microwave dielectric loss

We explore the molecular beam epitaxy synthesis of superconducting aluminum thin films grown on c-plane sapphire substrates at cryogenic temperatures of 6 K and compare their behavior with films synthesized at room temperature. We demonstrate that cryogenic growth increases structural disorder, producing crystalline grains that modify the optical, electrical, and superconducting properties of aluminum. We observe that cryogenic deposition changes the color of aluminum from fully reflective to yellow and correlate the pseudodielectric function and reflectance with structural changes in the film. We find that smaller grain sizes enhance the superconductivity of aluminum, increasing its critical temperature and critical field. We then estimate the superconducting gap and coherence length of Cooper pairs in aluminum in the presence of disorder. In conclusion, we fabricate superconducting microwave resonators on these films and find that, independently of the growth temperature, the system is dominated by two-level system loss with similar quality factors in the high- and low-power regimes. We further measure a higher kinetic inductance in the cryogenically grown films.

36 MATERIALS SCIENCE↗

Modulating Operational Conditions to Mitigate Deactivation in Formate Dehydrogenation on Pd Phases

In heterogeneous catalysis, poisoning by surface-bound intermediates poses a major barrier to sustained catalyst performance in (de)hydrogenation reactions. Formate/bicarbonate systems, as liquid organic hydrogen carriers (LOHCs), offer a CO 2 -integrated, low-temperature pathway for hydrogen storage and release, making them attractive for circular energy applications. However, their lower hydrogen density and susceptibility to catalyst deactivation limit their competitiveness compared to conventional LOHCs like methylcyclohexane. Here, this study investigates the mechanistic origins of formate (HCOO – ) dehydrogenation and associated deactivation on Pd interfaces. Using density functional theory (DFT) simulations, we show that under thermocatalytic conditions, strongly bound formate accumulates on the catalyst surface (Pd(111)), blocking active sites, raising activation barriers, and leading to progressive performance loss. Because formate adsorption involves charge transfer, we exploit its sensitivity to electronic structure by modulating the electrochemical potential of the catalyst. Our results reveal that hydrogen transfer from water and formate exhibits opposing potential dependencies, providing insights into the opposing driving forces behind both catalytic activity and poisoning. To further probe this phenomenon, we examine electrochemically induced phase transitions in Pd, focusing on PdO(100) and PdH(110), which are stable under oxidizing and reducing potentials, respectively, and demonstrate enhanced dehydrogenation activity between −0.4 and 0.2 V vs standard hydrogen electrode (SHE). Complementary thermal treatments help decouple kinetic and thermodynamic contributions to intermediate binding. These findings underscore the critical role of the catalyst phase and external stimuli in dictating poison-active site interactions and highlight phase engineering as a promising strategy to mitigate deactivation. This work offers mechanistic insights and design principles for developing more resilient and efficient catalysts for LOHC applications under realistic operating conditions.

Pd phase↗