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At least 1,261 records · Page 70

Developing new pathways for energy and environmental decision-making in India: a review

Abstract India faces a dual challenge of economic development and responding to climate change. Although India’s per capita emissions are well below global average, the country is one of the world’s largest greenhouse gas emitters. Indian policymakers and stakeholders require high-quality data and research to assess low-emissions, sustainable development strategies. Peer-reviewed literature is a key source of this information and also a key venue for conversation amongst research leaders. This paper examines the recent peer-reviewed literature on India’s 2030 and 2050 pathways. We conducted a systematic literature review to identify key quantitative national modeling studies. From the 34 studies identified, we synthesized scenario data to draw common conclusions and identify critical research gaps. The main focus was on examining the coverage and the state of information available on low-carbon pathways. Overall, we find a few scenarios that are potentially consistent with a 2070 net-zero goal, but more limited assessment of pathways to reach net-zero emissions before this date. Mitigation pathways with greater ambition are required across all energy sectors to ensure a smooth transition to net-zero emissions by or before 2070. The scenarios confirm that reducing emissions to below 2 GtCO 2 yr −1 by mid-century would necessitate significant transformations of the Indian energy sector, such as, a decrease in unabated coal power capacity, transportation modal shift, and industrial process switching. The assessment also finds substantial differences in final energy estimates reported across studies, particularly in transportation. The lack of consistency in, and transparency about underlying drivers, assumptions, and even outputs across studies points to the critical need for the sorts of coordinated, multi-model studies that have proven exceptionally valuable for decision makers in other major emitting countries.

54 ENVIRONMENTAL SCIENCES↗

Development of thermal joints for conduction-cooling applications

Abstract In support of the development of conduction-cooled superconducting radiofrequency (SRF) niobium cavities for use in continuous-wave linear accelerators, an experimental study of thermal contact resistance was performed on bolted joints using high-purity niobium, aluminium, and copper along with Apiezon N grease and indium foil as interfacial materials. The geometry of each joint investigated aims at replicating the design adopted in conduction-cooled SRF cavities currently under development at Jefferson Lab. The materials’ thermal conductivity and the joints’ thermal resistance were measured in the temperature range of 3.5 - 10 K. The results showed that the low thermal contact resistance of 2-4 K·cm 2 /W at 4.3 K achieved with Al-In-Nb and Al-Apiezon N-Cu joints should allow the operation of conduction-cooled SRF cavities at a targeted accelerating gradient of ∼10 MV/m.

Lewis, J. [Old Dominion University]↗

Development of an atomic layer deposition system for deposition of alumina as a hydrogen permeation barrier

Tritium permeation into and through materials poses a critical challenge for the development of nuclear fusion reactors. Minimizing tritium permeation is essential for the safe and efficient use of available fuel supplies. In this work, we present the design, construction, and validation of custom atomic layer deposition (ALD) and deuterium permeation measurement systems aimed at developing thin-film hydrogen permeation barriers. Using the ALD system, we deposited conformal $\mathrm{Al}_{2}\mathrm{O}_{3}$ films on copper foil substrates and characterized their growth behavior, morphology, and composition. ALD growth rates of ∼1.1 Å/cycle were achieved for temperatures between 100 ∘ C and 210 ∘ C. Permeation measurements on bare and alumina coated copper foils revealed a significant reduction in deuterium flux with the addition of a ∼10 nm $\mathrm{Al}_{2}\mathrm{O}_{3}$ layer. While bare copper followed diffusion-limited transport consistent with Sievert’s law, the alumina-coated samples exhibited surface-limited, pore-mediated transport with linear pressure dependence. Arrhenius analysis showed distinct differences in activation energy for the two transport regimes, and permeation reduction factors exceeding an order of magnitude were observed. These results demonstrate the potential of ALD-grown $\mathrm{Al}_{2}\mathrm{O}_{3}$ films as effective hydrogen isotope barriers and provide a foundation for future studies on film optimization and integration into fusion-relevant components.

atomic layer deposition↗

Free-energy orbital-free density functional theory: recent developments, perspective, and outlook

By summarizing the constraint-based development of orbital-free free-energy density functional approximations, we provide a perspective on progress over the last 15 years, the limitations of existing functionals, and the challenges awaiting resolution. We outline the chronology of the development of noninteracting and exchange-correlation free-energy orbital-free functionals and summarize the theoretical basis of existing local density approximation, second-order approximation, generalized gradient approximation (GGA), and meta-GGAs. We discuss limitations and challenges such as problems with thermodynamic derivatives, free-energy nonadditivity and the closely related issue of all-electron versus valence-only local pseudo-potential performance.

74 ATOMIC AND MOLECULAR PHYSICS↗

Network science can improve the sustainable development of solar energy

Abstract The recent emergence of agrivoltaic and ecovoltaic approaches to ground-mounted photovoltaic (PV) energy provides a much-needed alternative to the environmentally disruptive practices employed in utility-scale solar development. Research on such land-sharing approaches has grown rapidly, with an emphasis on characterizing how PV arrays impact ecosystem processes and agricultural productivity. Although these studies have done well to quantify a variety of dual-use solar practices by employing site-specific sampling designs, this approach has limited our ability to synthesize results across sites, regions, and globally. We call for a network science approach for improved cross-site synthesis of dual-use solar research. We contend that a common approach for data collection and synthesis will facilitate a more rigorous investigation of the agricultural and ecological impacts of PV development across space and over time. The products of this scientifically informed approach can be directly applied to improve sustainable land management.

Bacon, Taylor (ORCID:0009000518578569)↗

Ontology Development Kit: a toolkit for building, maintaining and standardizing biomedical ontologies

Similar to managing software packages, managing the ontology life cycle involves multiple complex workflows such as preparing releases, continuous quality control checking and dependency management. To manage these processes, a diverse set of tools is required, from command-line utilities to powerful ontology-engineering environmentsr. Particularly in the biomedical domain, which has developed a set of highly diverse yet inter-dependent ontologies, standardizing release practices and metadata and establishing shared quality standards are crucial to enable interoperability. The Ontology Development Kit (ODK) provides a set of standardized, customizable and automatically executable workflows, and packages all required tooling in a single Docker image. In this paper, we provide an overview of how the ODK works, show how it is used in practice and describe how we envision it driving standardization efforts in our community.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Bacterial and fungal composition and exometabolites control the development and persistence of soil water repellency

Soil water repellency (SWR), the reduced affinity of soil for water, is a phenomenon that affects soils globally. With worsening climate change, SWR is expected to increase emphasizing the need to understand the mechanisms driving SWR development and persistence. The importance of the soil microbes in SWR has been postulated for decades, but limited research has been conducted into whole-community interactions and the role of community metabolic activity. To address this gap in knowledge, we investigated the direct effect of microbial community composition, activity, and diversity, as well as their associated metabolites on the development and persistence of SWR by inoculating microcosms containing model soils with 15 different microbial communities and quantified respiration and SWR over time. Six communities that consistently produced either a hydrophobic or hydrophilic phenotype were characterized using metagenomics and metabolomics to determine the impact of microbial and metabolite composition and diversity on SWR. We identified several bacterial genera with significant changes in abundance between SWR phenotypes including Nocardiopsis and Kocuria in hydrophilic and Streptomyces and Cutibacterium in hydrophobic. We discovered that hydrophilic communities were more positively connected when compared to hydrophobic communities, which could be due to an increase in defense mechanism genes. Additionally, we identified specific metabolites associated with hydrophilic and hydrophobic phenotypes including an increase in the osmolyte ectoine in hydrophilic and an increase in plant-derived decomposition products in hydrophobic communities. Finally, our research suggests that fungi, previously thought to cause hydrophobicity, may actually contribute to hydrophilicity through their preferential consumption of hydrophobic compounds.

54 ENVIRONMENTAL SCIENCES↗

Characterization of growth and development of sorghum genotypes with differential susceptibility to Striga hermonthica

Two sorghum varieties, Shanqui Red (SQR) and SRN39, have distinct levels of susceptibility to the parasitic weed Striga hermonthica, which have been attributed to different strigolactone composition within their root exudates. Root exudates of the Striga-susceptible variety Shanqui Red (SQR) contain primarily 5-deoxystrigol, which has a high efficiency for inducing Striga germination. SRN39 roots primarily exude orobanchol, leading to reduced Striga germination and making this variety resistant to Striga. The structural diversity in exuded strigolactones is determined by a polymorphism in the LOW GERMINATION STIMULANT 1 (LGS1) locus. Yet, the genetic diversity between SQR and SRN39 is broad and has not been addressed in terms of growth and development. Here, we demonstrate additional differences between SQR and SRN39 by phenotypic and molecular characterization. A suite of genes related to metabolism was differentially expressed between SQR and SRN39. Increased levels of gibberellin precursors in SRN39 were accompanied by slower growth rate and developmental delay and we observed an overall increased SRN39 biomass. The slow-down in growth and differences in transcriptome profiles of SRN39 were strongly associated with plant age. Additionally, enhanced lateral root growth was observed in SRN39 and three additional genotypes exuding primarily orobanchol. In summary, we demonstrate that the differences between SQR and SRN39 reach further than the changes in strigolactone profile in the root exudate and translate into alterations in growth and development.

09 BIOMASS FUELS↗

The development and use of metal-based probes for X-ray fluorescence microscopy

Abstract X-ray fluorescence microscopy (XFM) has become a widely used technique for imaging the concentration and distribution of metal ions in cells and tissues. Recent advances in synchrotron sources, optics, and detectors have improved the spatial resolution of the technique to <10 nm with attogram detection sensitivity. However, to make XFM most beneficial for bioimaging—especially at the nanoscale—the metal ion distribution must be visualized within the subcellular context of the cell. Over the years, a number of approaches have been taken to develop X-ray-sensitive tags that permit the visualization of specific organelles or proteins using XFM. In this review, we examine the types of X-ray fluorophore used, including nanomaterials and metal ions, and the approaches used to incorporate the metal into their target binding site via antibodies, genetically encoded metal-binding peptides, affinity labeling, or cell-specific peptides. We evaluate their advantages and disadvantages, review the scientific findings, and discuss the needs for future development.

36 MATERIALS SCIENCE↗

Transcriptome and DNA methylome divergence of inflorescence development between 2 ecotypes in Panicum hallii

The morphological diversity of the inflorescence determines flower and seed production, which is critical for plant adaptation. Hall's panicgrass (Panicum hallii, P. hallii) is a wild perennial grass that has been developed as a model to study perennial grass biology and adaptive evolution. Highly divergent inflorescences have evolved between the 2 major ecotypes in P. hallii, the upland ecotype (P. hallii var hallii, HAL2 genotype) with compact inflorescence and large seed and the lowland ecotype (P. hallii var filipes, FIL2 genotype) with an open inflorescence and small seed. Here we conducted a comparative analysis of the transcriptome and DNA methylome, an epigenetic mark that influences gene expression regulation, across different stages of inflorescence development using genomic references for each ecotype. Global transcriptome analysis of differentially expressed genes (DEGs) and co-expression modules underlying the inflorescence divergence revealed the potential role of cytokinin signaling in heterochronic changes. Comparing DNA methylome profiles revealed a remarkable level of differential DNA methylation associated with the evolution of P. hallii inflorescence. We found that a large proportion of differentially methylated regions (DMRs) were located in the flanking regulatory regions of genes. Intriguingly, we observed a substantial bias of CHH hypermethylation in the promoters of FIL2 genes. The integration of DEGs, DMRs, and $K_a$/$K_s$ ratio results characterized the evolutionary features of DMR-associated DEGs that contribute to the divergence of the P. hallii inflorescence. This study provides insights into the transcriptome and epigenetic landscape of inflorescence divergence in P. hallii and a genomic resource for perennial grass biology.

59 BASIC BIOLOGICAL SCIENCES↗

Development of ultra-pure gadolinium sulfate for the Super-Kamiokande gadolinium project

This paper reports the development and detailed properties of about 13 metric tons of gadolinium sulfate octahydrate, Gd 2 (SO 4 ) 3 • 8H 2 O⁠, which has been dissolved into Super-Kamiokande (SK) in the summer of 2020. We evaluate the impact of radioactive impurities in Gd 2 (SO 4 ) 3 • 8H 2 O on diffuse supernova neutrino background searches and solar neutrino observation and confirm the need to reduce radioactive and fluorescent impurities by about three orders of magnitude from commercially available high-purity Gd 2 (SO 4 ) 3 • 8H 2 O⁠. In order to produce ultra-high-purity Gd 2 (SO 4 ) 3 • 8H 2 O, we have developed a method to remove impurities from gadolinium oxide, Gd 2 O 3 , consisting of acid dissolution, solvent extraction, and pH control processes, followed by a high-purity sulfation process. All of the produced ultra-high-purity Gd 2 (SO 4 ) 3 • 8H 2 O is assayed by inductively coupled plasma mass spectrometry and high-purity germanium detectors to evaluate its quality. Because of the long measurement time of high-purity germanium detectors, we have employed several underground laboratories for making parallel measurements including the Laboratorio Subterráneo de Canfranc in Spain, Boulby in the UK, and Kamioka in Japan. In the first half of production, the measured batch purities were found to be consistent with the specifications. However, in the latter half, the Gd 2 (SO 4 ) 3 • 8H 2 O contained one order of magnitude more 228Ra than the budgeted mean contamination. This was correlated with the corresponding characteristics of the raw material Gd 2 O 3 , in which an intrinsically large contamination was present. Based on their modest impact on SK physics, they were nevertheless introduced into the detector. To reduce 228 Ra for the next stage of gadolinium loading to SK, a new process has been successfully established.

79 ASTRONOMY AND ASTROPHYSICS↗

Development of a Data Overflow Protection System for Super-Kamiokande to Maximize Data from Nearby Supernovae

Neutrinos from very nearby supernovae, such as Betelgeuse, are expected to generate more than ten million events over 10 s in Super-Kamokande (SK). At such large event rates, the buffers of the SK analog-to-digital conversion board (QBEE) will overflow, causing random loss of data that are critical for understanding the dynamics of the supernova explosion mechanism. In order to solve this problem, two new data-acquisition (DAQ) modules were developed to aid in the observation of very nearby supernovae. The first of these, the SN module, is designed to save only the number of hit photomultiplier tubes during a supernova burst and the second, the Veto module, prescales the high-rate neutrino events to prevent the QBEE from overflowing based on information from the SN module. In the event of a very nearby supernova, these modules allow SK to reconstruct the time evolution of the neutrino event rate from beginning to end using both QBEE and SN module data. This paper presents the development and testing of these modules together with an analysis of supernova-like data generated with a flashing laser diode. We demonstrate that the Veto module successfully prevents DAQ overflows for Betelgeuse-like supernovae as well as the long-term stability of the new modules. During normal running the Veto module is found to issue DAQ vetos a few times per month resulting in a total dead-time less than 1 ms, and does not influence ordinary operations. Additionally, using simulation data we find that supernovae closer than 800 pc will trigger the Veto module, resulting in a prescaling of the observed neutrino data.

F20 Instrumentation and technique↗

Predicting chronic postsurgical pain: current evidence and a novel program to develop predictive biomarker signatures

Chronic pain affects more than 50 million Americans. Treatments remain inadequate, in large part, because the pathophysiological mechanisms underlying the development of chronic pain remain poorly understood. Pain biomarkers could potentially identify and measure biological pathways and phenotypical expressions that are altered by pain, provide insight into biological treatment targets, and help identify at-risk patients who might benefit from early intervention. Biomarkers are used to diagnose, track, and treat other diseases, but no validated clinical biomarkers exist yet for chronic pain. To address this problem, the National Institutes of Health Common Fund launched the Acute to Chronic Pain Signatures (A2CPS) program to evaluate candidate biomarkers, develop them into biosignatures, and discover novel biomarkers for chronification of pain after surgery. This article discusses candidate biomarkers identified by A2CPS for evaluation, including genomic, proteomic, metabolomic, lipidomic, neuroimaging, psychophysical, psychological, and behavioral measures. Acute to Chronic Pain Signatures will provide the most comprehensive investigation of biomarkers for the transition to chronic postsurgical pain undertaken to date. Data and analytic resources generatedby A2CPS will be shared with the scientific community in hopes that other investigators will extract valuable insights beyond A2CPS’s initial findings. This article will review the identified biomarkers and rationale for including them, the current state of the science on biomarkers of the transition from acute to chronic pain, gaps in the literature, and how A2CPS will address these gaps.

60 APPLIED LIFE SCIENCES↗

Stoichiometry dependent properties of cerium hydride: An active learning developed interatomic potential study

Cerium hydride has a variety of interesting properties, including a known lattice contraction and densification with increasing hydrogen content. However, precise stoichiometric control is not experimentally straightforward and ab initio approaches are not computationally feasible for many properties such as melting and low temperature diffusion. Therefore, we develop a machine-learned interatomic potential for cerium hydride that is valid for H to Ce ratios from 2.0 to 3.0. A query-by-committee active learning approach is used to develop the training set. Leveraging classical molecular dynamics simulations, we assess a range of properties and provide fundamental mechanisms for the trends with stoichiometry. Finally, a majority of the properties follow the trend of lattice contraction, being governed by the stronger lattice binding induced by adding octahedral atoms.

36 MATERIALS SCIENCE↗

Machine learning-based interatomic potential development and phase transition analysis of ferroelectric hafnium dioxide

The ferroelectric phase (𝑃⁢𝑐⁢𝑎⁢2 1 , which is in orthorhombic symmetry) of hafnium dioxide (HfO 2 ) has gained much attention due to its potential applications in nanoelectronics and advanced memory devices. However, its complex phase behavior under external stimuli, such as pressure and temperature, remains a subject of intense investigation. This study focuses on developing a machine learning-based interatomic potential (MLIP) that is trained with data from density-functional theory (DFT) calculations to simulate phase transitions and mechanical properties of HfO 2 . The developed MLIP predicts lattice parameters, equations of state, bulk and shear moduli, and elastic constants that closely align with DFT predictions for several phases and at various pressures. Once validated, the MLIP is used to investigate the phase transitions of ferroelectric HfO 2 (𝑃⁢𝑐⁢𝑎⁢2 1 ) under both isobaric and constant stress conditions at elevated temperatures ranging from 200 to 2500 K. We used several complementary methods, including local symmetry identification, radial distribution function, and x-ray diffraction characterization, to identify interesting phase transitions among several competitive hafnia phases predicted from our simulations. The suggested methods uniformly reveal that under pure deviatoric condition, the system favors a transition from the orthorhombic 𝑃⁢𝑐⁢𝑎⁢2 1 phase to a tetragonal (𝑃⁢4 2 /𝑛⁢𝑚⁢𝑐) phase, whereas a zero stress condition drives the system from the 𝑃⁢𝑐⁢𝑎⁢2 1 phase to another orthorhombic (𝑃⁢𝑏⁢𝑐⁢𝑛) phase. These findings provide crucial insights into stress and temperature-induced phase behavior of hafnia, guiding future experimental and theoretical studies for optimizing hafnia-based ferroelectric devices.

Ferroelectric HfO2↗

Fluid-phase helium: Shock-compression experiments, quantum molecular dynamics simulations, and development of an equation of state

Helium (He) plays a critical role in numerous areas ranging from the study of celestial objects like brown dwarfs and gas giants to modern-day technologies like nuclear energy and rocket propulsion. For many of these applications, it is essential to have a reliable equation of state (EOS) for He that yields an accurate representation of its thermodynamic behavior. To help constrain and develop such EOS models, we have performed a series of shock-compression experiments on cryogenic liquid He to pressures exceeding 100 GPa using a magnetically accelerated flyer plate on Sandia National Laboratories' Z-machine. We have also performed quantum molecular dynamics simulations that are consistent with our shock measurements. None of the previously available EOSs agree with our experimental and simulation results, motivating the development of a fluid-phase He EOS that we present in this study. Here, we show that our EOS yields good agreement with published data that span temperatures and pressures encountered across a diverse array of applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Comparative analysis of internal energy excitation and dissociation of nitrogen predicted by independently developed ab initio potential energy surfaces

In this article we present a comparative atomic level study analyzing the vibrational excitation and dissociation of molecular nitrogen due to N 2 ⁢( 1 Σ g ⁢ + )+N⁢( 4 S u ) and N 2 ⁢( 1 Σ g ⁢ + )+N 2 ⁢( 1 Σ g ⁢+ ) interactions governed by independently developed potential energy surfaces at the University of Minnesota and NASA Ames Research Center. Further, vibrational excitation was studied for N 2 +N 2 interactions from T=10000 to 25000 K and for N 2 +N from T=5000 to 30000 K. Nonequilibrium dissociation is studied from T=10000 to 30000 K under the quasi-steady-state condition for N 2 +N 2 and N 2 +N interactions. Finally, an inviscid Mach 20 dissociating nitrogen flow over a cylinder with a Knudsen number of 0.015 is carried out to study the impact of molecular interactions predicted by independently developed potential energy surfaces on a canonical hypersonic flow.

74 ATOMIC AND MOLECULAR PHYSICS↗

Development and experimental study of an automated laser-foil-printing additive manufacturing system

Purpose This paper aims to present the development and experimental study of a fully automated system using a novel laser additive manufacturing technology called laser foil printing (LFP), to fabricate metal parts layer by layer. The mechanical properties of parts fabricated with this novel system are compared with those of comparable methodologies to emphasize the suitability of this process. Design/methodology/approach Test specimens and parts with different geometries were fabricated from 304L stainless steel foil using an automated LFP system. The dimensions of the fabricated parts were measured, and the mechanical properties of the test specimens were characterized in terms of mechanical strength and elongation. Findings The properties of parts fabricated with the automated LFP system were compared with those of parts fabricated with the powder bed fusion additive manufacturing methods. The mechanical strength is higher than those of parts fabricated by the laser powder bed fusion and directed energy deposition technologies. Originality/value To the best knowledge of authors, this is the first time a fully automated LFP system has been developed and the properties of its fabricated parts were compared with other additive manufacturing methods for evaluation.

Engineering↗