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At least 793 records · Page 44

Transforming layered 2D mats into multiphasic 3D nanofiber scaffolds with tailored gradient features for tissue regeneration

Abstract Multiphasic scaffolds with tailored gradient features hold significant promise for tissue regeneration applications. Herein, this work reports the transformation of two‐dimensional (2D) layered fiber mats into three‐dimensional (3D) multiphasic scaffolds using a ‘solids‐of‐revolution’ inspired gas‐foaming expansion technology. These scaffolds feature precise control over fiber alignment, pore size, and regional structure. Manipulating nanofiber mat layers and Pluronic F127 concentrations allows further customization of pore size and fiber alignment within different scaffold regions. The cellular response to multiphasic scaffolds demonstrates that the number of cells migrated and proliferated onto the scaffolds is mainly dependent on the pore size rather than fiber alignment. In vivo subcutaneous implantation of multiphasic scaffolds to rats reveals substantial cell infiltration, neo tissue formation, collagen deposition, and new vessel formation within scaffolds, greatly surpassing the capabilities of traditional nanofiber mats. Histological examination indicates the importance of optimizing pore size and fiber alignment for the promotion of cell infiltration and tissue regeneration. Overall, these scaffolds have potential applications in tissue modeling, studying tissue‐tissue interactions, interface tissue engineering, and high‐throughput screening for optimized tissue regeneration.

Shahriar, S. M. Shatil↗

Valence Effects of Fe Impurity for Recovered LiNi 0.6 Co 0.2 Mn 0.2 O 2 Cathode Materials

Iron impurities are generally included in the obtained leaching liquor solution during the hydrometallurgical recycling method of spent lithium-ion batteries (LIBs) due to the usage of iron in battery casings and machinery parts of recycling equipment, which would definitely affect the physical and electrochemical features of the recovered active materials. In this paper, the effects of iron impurity with different valence states (Fe 2+ and Fe 3+ ) and gradient concentrations (0.2, 1.0, and 5.0 at. %) for the obtained LiNi 0.6 Co 0.2 Mn 0.2 O 2 (NCM622) cathodes are fully studied. It is found that Fe3+ impurity could easily lower the tap density and average size of NCM622 particles and even introduce some impurity phases in the NCM622 structure at high concentration (5.0 at. %), leading to much lower specific capacity, worse rate capability, and cycling performance of the Fe 3+ -based NCM622 cathode. On contrast, with certain concentrations of Fe 2+ impurity (0.2 and 1.0 at. %), the NCM622 cathode material exhibits comparable and much better electrochemical properties compared with the virgin NCM622 materials. Based on these results, the valence of Fe impurity should be considered and controlled as well as its concentration during the recycling process design for spent LIBs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Intrinsic exchange biased anomalous Hall effect in an uncompensated antiferromagnet MnBi 2 Te 4

Achieving spin-pinning at the interface of hetero-bilayer ferromagnet/antiferromagnet structures in conventional exchange bias systems can be challenging due to difficulties in interface control and the weakening of spin-pinning caused by poor interface quality. In this work, we propose an alternative approach to stabilize the exchange interaction at the interface of an uncompensated antiferromagnet by utilizing a gradient of interlayer exchange coupling. We demonstrate this exchange interaction through a designed field training protocol in the odd-layer topological antiferromagnet MnBi 2 Te 4 . Our results reveal a remarkable field-trained exchange bias of up to ~ 400 mT, which exhibits high repeatability and can be easily reset by a large training field. Notably, this field-trained exchange bias effect persists even with zero-field initialization, presenting a stark contrast to the traditional field-cooled exchange bias. The highly tunable exchange bias observed in this single antiferromagnet compound, without the need for an additional magnetic layer, provides valuable insight into the exchange interaction mechanism. These findings pave the way for the systematic design of topological antiferromagnetic spintronics.

36 MATERIALS SCIENCE↗

Electron-scale temperature gradients in kinetic equilibrium: MMS observations and Vlasov–Maxwell solutions

For an ideal gas, the notion of thermodynamic equilibrium requires that the system’s temperature be spatially uniform. We demonstrate that for a collisionless plasma, kinetic equilibrium can be achieved even in the presence of a temperature gradient. Motivated by recent MMS magnetopause observations of thin current layers exhibiting electron-scale temperature gradients, here we present an exact solution to the Vlasov-Maxwell system which accounts for the observed electron temperature gradient and reproduces much of the plasma’s spatial variation along one dimension. Furthermore, the current layer in the Vlasov-Maxwell model is self-consistently supported by a prominent crescent shaped electron velocity distribution that naturally arises due to the temperature transition, which agrees with the electron distribution structures measured by MMS during two asymmetric current layers encountered at the magnetopause.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Enabling Marine Energy Integration for Ocean Observing: Functional Requirements

Marine renewable energy (i.e., wave, tidal or ocean current, thermal gradient, and salinity gradient) or MRE can revolutionize ocean observing capabilities. Five use cases representing a range of ocean observing platforms were developed based on end-user feedback. Drawing from these use cases, common needs or functional requirements were developed to help guide the integration of MRE power delivery for ocean observation structures and functions. The functional requirements were determined from descriptions of the use cases, specifications of hardware that are used or closely associated with existing ocean observation platforms, and direct feedback from ocean observation sensor/platform developers and users. Twenty types of functional requirements were identified, including those associated with power and energy use; physical system requirements; temperature and depth; electrical, acoustic, and motion interference; and reliability. Each set of functional requirements is illustrated as features of the use cases. By defining functional requirements for MRE technology integration in ocean observing platforms, and focusing on end-user requirements, barriers to developing MRE-driven ocean observation missions can be reduced.

50 EE - Wind and Water Power Program - Water (EE-4↗

Summertime Post-Cold-Frontal Marine Stratocumulus Transition Processes over the Eastern North Atlantic

Abstract Marine boundary layer (MBL) cloud morphology associated with two summertime cold fronts over the eastern North Atlantic (ENA) is investigated using high-resolution simulations from the Weather Research and Forecasting (WRF) Model and observations from the Atmospheric Radiation Measurement (ARM) ENA Climate Research Facility. Lagrangian trajectories are used to study the evolution of post-cold-frontal MBL clouds from solid stratocumulus to broken cumulus. Clouds within specified domains in the vicinity of transitions are classified according to their degree of decoupling, and cloud-base and cloud-top breakup processes are evaluated. The Lagrangian derivative of the surface latent heat flux is found to be strongly correlated with that of the cloud fraction at cloud base in the simulations. Cloud-top entrainment instability (CTEI) is shown to operate only in the decoupled MBL. A new indicator of inversion strength at cloud top that employs the vertical gradients of equivalent potential temperature and saturation equivalent potential temperature, which can be computed directly from soundings, is proposed as an alternative to CTEI. Overall, results suggest that the deepening–warming hypothesis suggested by Bretherton and Wyant explains many of the characteristics of the summertime postfrontal MBL evolution of cloud structure over the ENA, thereby widening the phase space over which the hypothesis may be applied. A subset of the deepening–warming hypothesis involving warming initially dominating over moistening is proposed. It is postulated that changes in climate change–induced modifications in cold-frontal structure over the ENA may be accompanied by coincident changes in the location and timing of MBL cloud transitions in the post-cold-frontal environment.

54 ENVIRONMENTAL SCIENCES↗

Intermittent Frontogenesis in the Alboran Sea

Abstract We present a phenomenological description and dynamical analysis of the Alboran fronts using a realistic simulation at submesoscale resolution. The study is focused on east Alboran fronts emerging within relatively strong flows that separate from the Spanish coast into the basin interior. Despite modest lateral shifting associated with the position of the Alboran anticyclonic gyres and variations in intensity, these fronts present a similar structure and dynamical configuration as the climatological Almeria–Oran front. The statistical analysis of our solution shows that strained-induced frontogenesis is a recurrent submesoscale mechanism associated with these fronts, and the process is assessed in terms of the advective Lagrangian frontogenetic tendencies associated with buoyancy and velocity horizontal gradients. Intermittency in their strength and patterns is indicative of high variability in the occurrence of active frontogenesis in association with the secondary (overturning) circulation across the frontal gradient. As a result, we find many episodes with strong surface fronts that do not have much associated downwelling. Frontogenesis and the associated secondary circulation are further explored during two particular frontal events, both showing strong downwelling of (1) cm s −1 extending down into the pycnocline. A frontogenetic contribution of turbulent vertical momentum mixing to the secondary circulation is identified in the easternmost region during the cold season, when the dynamics are strongly influenced by the intrusion of the salty Northern Current. The background vertical velocity fields observed during the analyzed events indicate other currents in the submesoscale range, including tidal and topographic internal waves.

Capó, Esther↗

Enabling Marine Energy Integration for Ocean Observing: Functional Requirements

Marine renewable energy (i.e., wave, tidal or ocean current, thermal gradient, and salinity gradient) or MRE can revolutionize ocean observing capabilities. Five use cases representing a range of ocean observing platforms were developed based on end-user feedback. Drawing from these use cases, common needs or functional requirements were developed to help guide the integration of MRE power delivery for ocean observation structures and functions. The functional requirements were determined from descriptions of the use cases, specifications of hardware that are used or closely associated with existing ocean observation platforms, and direct feedback from ocean observation sensor/platform developers and users. Twenty types of functional requirements were identified, including those associated with power and energy use; physical system requirements; temperature and depth; electrical, acoustic, and motion interference; and reliability. Each set of functional requirements is illustrated as features of the use cases. By defining functional requirements for MRE technology integration in ocean observing platforms, and focusing on end-user requirements, barriers to developing MRE-driven ocean observation missions can be reduced.

Cavagnaro, Robert J.↗

Measurements of Beam Spin Asymmetries in p+p0 and p´p0 Dihadron Production at CLAS12

Semi-Inclusive Deep Inelastic Scattering (SIDIS) is a powerful experimental tool for studying the internal structure and dynamics of the proton, revealing how quarks and gluons are distributed and interact within it. SIDIS describes a process where an elec tron scatters off one of the constituent quarks within the proton, causing it to undergo hadronization, creating multiple hadrons in the final state. Through factorization, the full process can be split into probabilistic components: one which describes the internal structure of the proton using Parton Distribution Functions (PDFs), and another which describes the hadronization process using Fragmentation Functions (FFs). These functions are non-perturbative quantities of Quantum Chromodynamics (QCD), meaning they cannot be calculated directly from first principles and must instead be extracted from experimental measurements. Acommon approach for accessing PDFs and FFs using SIDIS is to measure asymmetries. In this context, asymmetries correspond to subtle differences in the angular distribution of outgoing particles that arise when the spin orientation of the incoming beam or target is reversed. Because many of these effects only appear when spin is involved, they isolate specific, nuanced properties of the proton’s spin-structure that are otherwise hidden in spin averaged measurements. In practice, they show up as specific azimuthal modulations (e.g., sin ¿R, sin(¿h ´ ¿R)), whose amplitudes isolate convolutions of PDFs and FFs at leading and subleading twist. Non-zero asymmetries of these angular distributions can be traced back to unique combinations of PDFs and FFs, offering a way to probe them directly. In this work, we measure SIDIS by analyzing high energy electron-proton scattering events using the CLAS12 detector at Jefferson Lab. This study focuses on subset of SIDIS referred to as dihadron SIDIS, where pairs of hadrons — here p+p0 and p´p0 — are observed. We analyzed these dihadrons using detector data collected during Fall 2018 and Spring 2019, where longitudinally polarized electrons from the CEBAF accelerator were incident on a liquid hydrogen target. A photon classifier using a Gradient Boosted Trees (GBTs) architecture was trained using Monte Carlo simulations to reduce the amount of iv false combinatorial background p0’s. When deployed on experimental data, the model in creases our dihadron statistics by up to five-fold compared to previous CLAS12 p0 analyses. This work reports the first measurements of beam spin asymmetries for p+p0 and p´p0 dihadron production in SIDIS. The measured asymmetries offer new insights to the spin-dependent structure and dynamics within the proton, as well as the spin-dependent properties of quark fragmentation. Non-zero twist-3 sin¿R amplitudes are observed, pro viding sensitivity to the subleading twist PDF e(x). The PDF e(x) encodes quark-gluon correlations within the proton — a property that is otherwise inaccessible at leading twist. Additionally, this work measured significant twist-2 modulations carried by sin(¿h ´ ¿R) and sin(2¿h ´2¿R), providing experimental access to the helicity dihadron fragmentation function (DiFF) GK 1 . Because there is no equivalent quark helicity-dependent FF in single pion SIDIS, the DiFF GK 1 offers a unique lens into novel spin-dependent fragmentation. For instance, the twist-2 modulations observed in this study are enhanced by vector mesons created during fragmentation — a behavior predicted by phenomenological models. This study broadens our understanding of dihadron fragmentation, revealing new details about the flavor and charge dependence of hadronization.

Matousek, Gregory [Duke Univ., Durham, NC (United ↗

Sifting for a Stream: The Morphology of the $300S$ Stellar Stream

Stellar streams are sensitive laboratories for understanding the small-scale structure in our Galaxy’s gravitational field. Here, we analyze the morphology of the $300S$ stellar stream, which has an eccentric, retrograde orbit and thus could be an especially powerful probe of both baryonic and dark substructures within the Milky Way. Due to extensive background contamination from the Sagittarius stream (Sgr), we perform an analysis combining Dark Energy Camera Legacy Survey photometry, $Gaia$ DR3 proper motions, and spectroscopy from the Southern Stellar Stream Spectroscopic Survey (S 5 ). We redetermine the stream coordinate system and distance gradient, then apply two approaches to describe $300S$ ’s morphology. In the first, we analyze stars from $Gaia$ using proper motions to remove Sgr. In the second, we generate a simultaneous model of $300S$ and Sgr based purely on photometric information. Both approaches agree within their respective domains and describe the stream over a region spanning 33° . Overall, $300S$ has three well-defined density peaks and smooth variations in stream width. Furthermore, $300S$ has a possible gap of ~4.7 and a kink. Dynamical modeling of the kink implies that $300S$ was dramatically influenced by the Large Magellanic Cloud. This is the first model of $300S$ ’s morphology across its entire known footprint, opening the door for deeper analysis to constrain the structures of the Milky Way.

Milky Way galaxy↗

Fully variational incremental CASSCF

We report the complete-active-space self-consistent field (CASSCF) method is a canonical electronic structure theory that holds a central place in conceptualizing and practicing first principles simulations. For application to realistic molecules, however, the CASSCF must be approximated to circumvent its exponentially scaling computational costs. Applying the many-body expansion - also known as the method of increments - to CASSCF (iCASSCF) has been shown to produce a polynomially scaling method that retains much of the accuracy of the parent theory and is capable of treating full valence active spaces. Due to an approximation made in the orbital gradient, the orbital parameters of the original iCASSCF formulation could not be variationally optimized, which limited the accuracy of its nuclear gradient. Herein, a variational iCASSCF is introduced and implemented, where all parameters are fully optimized during energy minimization. This method is able to recover electronic correlations from the full valence space in large systems, produce accurate gradients, and optimize stable geometries as well as transition states. Demonstrations on challenging test cases, such as the oxoMn(salen)Cl complex with 84 electrons in 84 orbitals and the automerization of cyclobutadiene, show that the fully variational iCASSCF is a powerful tool for describing challenging molecular chemistries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Contrasting Effects of Urban Land Cover Change and Anthropogenic Heat on Summer Precipitation Over the Yangtze River Delta of China: Analyses From an Atmospheric Moisture Budget Perspective

Both urban land cover (ULC) change and anthropogenic heat (AH) emission are important causes of urban heat island, but their relative contributions to the changes in urban precipitation and the related mechanism remain unclear. Based on numerical simulations utilizing the latest realistic urban fraction and AH data over the Yangtze River Delta urban agglomeration, we found that ULC and AH resulted in nearly opposite effects on precipitation. Various dynamical and thermodynamic processes were involved according to the atmospheric moisture budget analyses. AH increased precipitation particularly during afternoon, and the increases were stronger during heavy precipitation events because of the enhanced moisture convergence effect together with the release of moisture storage previously accumulated in the atmosphere. Differently, ULC reduced mean precipitation mainly due to suppressed evaporation. During weak precipitation events, the suppressed evaporation was largely balanced by the intensified moisture convergence, but during heavy events, ULC caused more pronounced precipitation reduction because the moisture convergence response disappeared and failed to offset the evaporation effect. Here, the relative contributions of different dynamical and thermodynamic processes such as those related to circulation, moisture gradient, and background moisture availability to the temporal variation in the total moisture convergence were further quantified. Overall, our results help better understand the relative roles of different aspects of urbanization on precipitation, and suggest that compared to ULC, reduction in AH emission that is tightly related to the energy consumption structure could be more efficient for mitigating the risk of extreme precipitation.

54 ENVIRONMENTAL SCIENCES↗

Non-structural carbohydrates mediate seasonal water stress across Amazon forests

Non-structural carbohydrates (NSC) are major substrates for plant metabolism and have been implicated in mediating drought-induced tree mortality. Despite their significance, NSC dynamics in tropical forests remain little studied. We present leaf and branch NSC data for 82 Amazon canopy tree species in six sites spanning a broad precipitation gradient. During the wet season, total NSC (NSC T ) concentrations in both organs were remarkably similar across communities. However, NSC T and its soluble sugar (SS) and starch components varied much more across sites during the dry season. Notably, the proportion of leaf NSC T in the form of SS (SS:NSC T ) increased greatly in the dry season in almost all species in the driest sites, implying an important role of SS in mediating water stress in these sites. This adjustment of leaf NSC balance was not observed in tree species less-adapted to water deficit, even under exceptionally dry conditions. Thus, leaf carbon metabolism may help to explain floristic sorting across water availability gradients in Amazonia and enable better prediction of forest responses to future climate change.

54 ENVIRONMENTAL SCIENCES↗

On the nonadiabatic collisional quenching of OH(A) by H 2 : a four coupled quasi-diabatic state description

A four-state diabatic potential energy matrix (DPEM), H d , for the description of the nonadiabatic quenching of OH(A 2 Σ + ) by collisions with H 2 is reported. The DPEM is constructed as a fit to adiabatic energies, energy gradients, and derivative couplings obtained exclusively from multireference configuration interaction wave functions. A four-adiabatic-electronic-state representation is used in order to describe all energetically accessible regions of the nuclear coordinate space. Partial permutation-inversion symmetry is incorporated into the representation. Here, the fit is based on electronic structure data at 42 882 points, described by over 1.6 million least squares equations with a root mean square (mean unsigned) error of 178(83) cm –1 . Comparison of ab initio and H d determined minima, saddle points, and energy minimized points on C 2v , C s , C ∞v , and C 1 (noncoplanar) portions of two conical intersection seams are used to establish the accuracy of the H d .

74 ATOMIC AND MOLECULAR PHYSICS↗

Effects of Intrusive Confining Units on Groundwater Flow at Pahute Mesa, Nevada National Security Site

Geological, geophysical, hydrogeological, and hydrological evidence indicates that feeder dikes to lava flows play a role as confining units in the groundwater flow system underlying the Pahute Mesa area of underground nuclear testing at the Nevada National Security Site (NNSS). Of geological significance, the Pahute Mesa testing area is largely situated within the Silent Canyon caldera, which includes both tuffs and lavas that were fed by (and are connected to) intrusive rock units such as feeder dikes prior to and during volcanic eruptions (Orkild et al., 1968; Byers et al., 1976). Groundwater modeling results presented in this report support extension of “pool-dam” and “breach scenario” concepts presented in Jackson and Fenelon (2018) and Jackson et al. (2021) to low-permeability intrusive confining units (ICUs) such as feeder dikes that are expected to dissect and ring the caldera. As laterally extensive, steeply-dipping, and sub-parallel planar structures, ICUs can be expected to further compartmentalize groundwater flow in the volcanic aquifers systems at Pahute Mesa beyond the stratigraphically-defined tuff confining units (TCUs). ICUs provide an explanation for changes in water levels before and after the Cheshire test, detonated 2/14/76 (USDOE, 2015), and the unusually high horizontal gradient southwest of Cheshire. These ICU concepts are supported by groundwater modeling results presented in this report. The evidence and groundwater modeling results indicate that the downgradient extent of radionuclide contamination in some areas of Pahute Mesa could be overestimated by ignoring the confining effects of ICUs. On the other hand, contaminant extent could be underestimated by not considering transient flow effects and/or the re-equilibrated flow field caused by breaching of an ICU by an underground nuclear test.

54 ENVIRONMENTAL SCIENCES↗

Graphite Oxidation Behavior: NRC Graphite Behavior Model

Graphite microstructure and oxidation Graphite crystal structure and basal planes Reactive surface area sites Zig-zag and Arm-chair Pore microstructure effects Interconnectivity Reactivity and oxygen transport Oxygen-graphitereaction Not C-O reaction! Temperature effects Oxygen diffusion to graphite Diffusion into the microstructure High temperature vs low temperature diffusion Oxidation: It’s a gradient of factors

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Crystal plasticity model of residual stress in additive manufacturing using the element elimination and reactivation method

Selective laser melting is receiving increasing interest as an additive manufacturing technique. Residual stresses induced by the large temperature gradients and inhomogeneous cooling process can favour the generation of cracks. In this work, a crystal plasticity finite element model is developed to simulate the formation of residual stresses and to understand the correlation between plastic deformation, grain orientation and residual stresses in the additive manufacturing process. The temperature profile and grain structure from thermal-fluid flow and grain growth simulations are implemented into the crystal plasticity model. An element elimination and reactivation method is proposed to model the melting and solidification and to reinitialize state variables, such as the plastic deformation, in the reactivated elements. The accuracy of this method is judged against previous method based on the stiffness degradation of liquid regions by comparing the plastic deformation as a function of time induced by thermal stresses. The method is used to investigate residual stresses parallel and perpendicular to the laser scan direction, and the correlation with the maximum Schmid factor of the grains along those directions. The magnitude of the residual stress can be predicted as a function of the depth, grain orientation and position with respect to the molten pool. The simulation results are directly comparable to X-ray diffraction experiments and stress–strain curves.

316 stainless steel↗

Hybrid eigensolvers for nuclear configuration interaction calculations

We examine and compare several iterative methods for solving large-scale eigenvalue problems arising from nuclear structure calculations. In particular, we discuss the possibility of using block Lanczos method, a Chebyshev filtering based subspace iterations and the residual minimization method accelerated by direct inversion of iterative subspace (RMM-DIIS) and describe how these algorithms compare with the standard Lanczos algorithm and the locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm. Although the RMM-DIIS method does not exhibit rapid convergence when the initial approximations to the desired eigenvectors are not sufficiently accurate, it can be effectively combined with either the block Lanczos or the LOBPCG method to yield a hybrid eigensolver that has several desirable properties. We will describe a few practical issues that need to be addressed to make the hybrid solver efficient and robust.

97 MATHEMATICS AND COMPUTING↗