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Spectroscopic signatures of next-nearest-neighbor hopping in the charge and spin dynamics of doped one-dimensional antiferromagnets

In this work, we study the impact of next-nearest-neighbor (nnn) hopping on the low-energy collective excitations of strongly correlated doped antiferromagnetic cuprate spin chains. Specifically, we use exact diagonalization and the density matrix renormalization group method to study the single-particle spectral function, the dynamical spin and charge structure factors, and the Cu L-edge resonant inelastic x-ray scattering (RIXS) intensity of the doped t-t'-J model for a set of t' values. We find evidence for the breakdown of spin-charge separation as |t'| increases and identify its fingerprints in the dynamical response functions. The inclusion of nnn hopping couples the spinon and holon excitations, resulting in the formation of a spin-polaron, where a ferromagnetic spin polarization cloud dresses the doped carrier. The spin-polaron manifests itself as additional spectral weight in the dynamical correlation functions, which appear simultaneously in the spin- and charge-sensitive channels. We also demonstrate that RIXS can provide a unique view of the spin-polaron, due to its sensitivity to both the spin and charge degrees of freedom.

1D spin chains↗

Faraday-effect polarimetry for current profile measurement in the tokamak plasma edge

Toroidal current profile measurements in the tokamak plasma edge are critical for fusion plasma physics research and model validation. A three-wave Faraday-effect polarimeter-interferometer with a sub-centimeter spatial resolution is proposed on the DIII-D tokamak to determine the edge current profile via Abel inversion. By using probe beams with 316 µm wavelength, a low-field-side, vertical-view, single-pass optical layout covering the plasma edge region (R = 2.15–2.27 m) is assessed. Measurements with no greater than 0.1° polarimetric systematic uncertainty, no greater than 0.01° polarimetric root-mean-square noise (1 kHz bandwidth), and a 0.8 cm radial chord spacing are considered feasible based on the achieved performance of existing systems using similar wavelengths on fusion devices. Furthermore, synthetic diagnostic calculations taking various factors into account, such as diagnostic uncertainty and quality of magnetic flux surfaces, find that the edge current profile can be determined with up to 0.12 MA/m 2 uncertainty, or about 10% of the peak current density in the pedestal of an investigated high-confinement plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Potential Signature of Population III Pair-instability Supernova Ejecta in the BLR Gas of the Most Distant Quasar at z = 7.54*

The search for Population III stars has fascinated and eluded astrophysicists for decades. One promising place for capturing evidence of their presence must be high-redshift objects; signatures should be recorded in their characteristic chemical abundances. We deduce the Fe and Mg abundances of the broadline region (BLR) from the intensities of ultraviolet Mg ii and Fe ii emission lines in the near-infrared spectrum of UKIDSS Large Area Survey (ULAS) J1342+0928 at z = 7.54, by advancing our novel flux-to-abundance conversion method developed for quasars up to z ~ 3. We find that the BLR of this quasar is extremely enriched, by a factor of 20 relative to the solar Fe abundance, together with a very low Mg/Fe abundance ratio: [Fe/H] = +1.36 ± 0.19 and [Mg/Fe] =-1.11 ± 0.12, only 700 million years after the Big Bang. We conclude that such an unusual abundance feature cannot be explained by the standard view of chemical evolution that considers only the contributions from canonical supernovae. While there remains uncertainty in the high-mass end of the Population III initial mass function, here we propose that the larger amount of iron in ULAS J1342+0928 was supplied by a pair-instability supernova (PISN) caused by the explosion of a massive Population III star in the high-mass end of the possible range of 150–300 M ⊙ . Chemical evolution models based on initial PISN enrichment well explain the trend in [Mg/Fe]-z all the way from z < 3 to z = 7.54. We predict that stars with very low [Mg/Fe] at all metallicities are hidden in the galaxy, and they will be efficiently discovered by ongoing new-generation photometric surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

A global model–measurement evaluation of particle light scattering coefficients at elevated relative humidity

The uptake of water by atmospheric aerosols has a pronounced effect on particle light scattering properties, which in turn are strongly dependent on the ambient relative humidity (RH). Earth system models need to account for the aerosol water uptake and its influence on light scattering in order to properly capture the overall radiative effects of aerosols. Here we present a comprehensive model–measurement evaluation of the particle light scattering enhancement factor f(RH), defined as the particle light scattering coefficient at elevated RH (here set to 85 %) divided by its dry value. The comparison uses simulations from 10 Earth system models and a global dataset of surface-based in situ measurements. In general, we find a large diversity in the magnitude of predicted f(RH) amongst the different models, which can not be explained by the site types. Based on our evaluation of sea salt scattering enhancement and simulated organic mass fraction, there is a strong indication that differences in the model parameterizations of hygroscopicity and model chemistry are driving at least some of the observed diversity in simulated f(RH). Additionally, a key point is that defining dry conditions is difficult from an observational point of view and, depending on the aerosol, may influence the measured f(RH). The definition of dry also impacts our model evaluation, because several models exhibit significant water uptake between RH = 0 % and 40 %. The multisite average ratio between model outputs and measurements is 1.64 when RH = 0 % is assumed as the model dry RH and 1.16 when RH = 40 % is the model dry RH value. The overestimation by the models is believed to originate from the hygroscopicity parameterizations at the lower RH range which may not implement all phenomena taking place (i.e., not fully dried particles and hysteresis effects). This will be particularly relevant when a location is dominated by a deliquescent aerosol such as sea salt. Our results emphasize the need to consider the measurement conditions in such comparisons and recognize that measurements referred to as dry may not be dry in model terms. Recommendations for future model–measurement evaluation and model improvements are provided.

54 ENVIRONMENTAL SCIENCES↗

Transparent window film with embedded nano-shades for thermoregulation

Every year, more than 20% of the energy consumption in the United States and more than 10% of the global consumption is used towards HVAC (Heating, Ventilating, Air-Conditioning) systems in buildings. Although continued efforts in advancing renewable energy, efficient appliances, and smart building systems are desired, the most critical factors that cause extensive indoor energy consumption are thermal leakage and thermal waste generation. We demonstrate a smart window film that allows natural lighting with a clear view while blocking oblique incident sunlight to make the building interior cooler without using electricity or generating heat. Building upon the concept of, often overlooked, traditional window shades and privacy window films, we emphasize and elevate the application and impact of using magnetically arranged nanoscale material for energy conservation purpose in buildings. By embedding vertically aligned Ni flakes (VANF) in a polymer matrix film, nanoscale mirror array serve as shades to block the high-angled incident sunlight, blocking approximately 73% of total solar irradiance and bringing down the indoor temperature by 1.92 °C during the daytime in a model house while providing nearly 90% transparency. Global application was simulated by applying the respective solar angle and intensity at selected latitudes, indicating their potential. This passively energy-conserving smart film is a low cost, maintenance free, and simple product for users and easy-to-manufacture product for the industry.

36 MATERIALS SCIENCE↗

Human-System Interface Design Review Guidelines

The U.S. Nuclear Regulatory Commission (NRC) staff reviews the human factors engineering (HFE) aspects of nuclear power plants in accordance with the Standard Review Plan (NUREG-0800, Standard Review Plan for the Review of Safety Analysis Reports for Nuclear Power Plants: LWR Edition). The Human Factors Engineering Program Review Model (NUREG-0711, Revision 3, issued November 2012) contains detailed design review procedures. As part of the review process, the interfaces between plant personnel and the plant's systems and components are evaluated for conformance with HFE guidelines. This document, Human-System Interface Design Review Guidelines (NUREG-0700, Revision 3), provides the guidelines necessary to perform this evaluation. The review guidelines address the physical and functional characteristics of human-system interfaces (HSIs). Because these guidelines only address the HFE aspects of design and not other related considerations, such as instrumentation and control and structural design, they are referred to as HFE guidelines. In addition to the review of actual HSIs, the NRC staff can use the NUREG-0700 guidelines to evaluate a design-specific HFE guidelines document or style guide. The HFE guidelines are organized into four basic parts, which are divided into sections. Part I contains guidelines for the basic HSI elements: information displays, user-interface interaction and management, and analog displays and controls. These elements are used as building blocks to develop HSI systems to serve specific functions. Part II contains the guidelines for reviewing the following HSI systems: alarm system, safety parameter display system, group-view display system, soft control system, computer-based procedure system, automation system, and communication system. Part III provides guidelines for the review of workstations and workplaces. Part IV provides guidelines for the review of HSI support (i.e., maintainability of digital systems and degraded HSI and instrumentation and control conditions).

42 ENGINEERING↗

A fine pore-preserved deep neural network for porosity analytics of a high burnup U-10Zr metallic fuel

Abstract U-10 wt.% Zr (U-10Zr) metallic fuel is the leading candidate for next-generation sodium-cooled fast reactors. Porosity is one of the most important factors that impacts the performance of U-10Zr metallic fuel. The pores generated by the fission gas accumulation can lead to changes in thermal conductivity, fuel swelling, Fuel-Cladding Chemical Interaction (FCCI) and Fuel-Cladding Mechanical Interaction (FCMI). Therefore, it is crucial to accurately segment and analyze porosity to understand the U-10Zr fuel system to design future fast reactors. To address the above issues, we introduce a workflow to process and analyze multi-source Scanning Electron Microscope (SEM) image data. Moreover, an encoder-decoder-based, deep fully convolutional network is proposed to segment pores accurately by integrating the residual unit and the densely-connected units. Two SEM 250 × field of view image datasets with different formats are utilized to evaluate the new proposed model’s performance. Sufficient comparison results demonstrate that our method quantitatively outperforms two popular deep fully convolutional networks. Furthermore, we conducted experiments on the third SEM 2500 × field of view image dataset, and the transfer learning results show the potential capability to transfer the knowledge from low-magnification images to high-magnification images. Finally, we use a pre-trained network to predict the pores of SEM images in the whole cross-sectional image and obtain quantitative porosity analysis. Our findings will guide the SEM microscopy data collection efficiently, provide a mechanistic understanding of the U-10Zr fuel system and bridge the gap between advanced characterization to fuel system design.

36 MATERIALS SCIENCE↗

Barriers and Benefits: Understanding Riders’ Views on Pooled Rideshare in the U.S.

This manuscript provides actionable recommendations to enhance user satisfaction and address existing barriers regarding pooled rideshare (PR) in the United States. Despite PR’s intended benefits, such as reduced traffic congestion and cost savings, its adoption remains limited. To identify these actionable items, a U.S. nationwide survey with 5385 participants explored transportation preferences, barriers, and motivators for PR use in the summer of 2021. First, two factor analyses were conducted. The first factor analysis identified the five factors associated with one’s willingness to consider PR (time/cost, traffic/environment, safety, privacy, and service experience). The second factor analysis revealed the four factors related to ways to optimize one’s PR experience (comfort/ease of use, convenience, vehicle technology/accessibility, and passenger safety). Privacy concerns, for instance, were found to reduce the likelihood of PR adoption by 77%, and convenience had the potential to increase it by 156%. A structural equation model evaluated the relationships among these nine key factors influencing PR usage to develop the Pooled Rideshare Acceptance Model (PRAM). The privacy, safety, trust service, and convenience factors each had a significant large effect (Cohen’s f 2 > 0.35) on the model. PRAM was extended using multigroup analyses to reveal the nuanced impact of 16 demographics, including gender, generation, rideshare experience, etc., highlighting the need for tailored strategies to improve PR acceptance through the Pooled Rideshare Acceptance Model Multigroup Analyses (PRAMMAs). Multiple workshops were held with diverse audiences to translate the team’s findings to date into 84 actionable recommendations, categorized across topical areas like safety, routing, driver and passenger selection, user education, etc. These findings are a foundation for a future study to determine which items resonate with different user groups. In the meantime, the actional items serve as a user-driven resource for policymakers, transportation network companies, and researchers, offering a roadmap to potential improvements to PR services to address existing concerns with the goal of increasing the usage of PR.

actionable recommendations↗

Towards a UV model of kinetic mixing and portal matter

The nature of dark matter (DM) and how it might interact with the particles of the Standard Model (SM) is an ever-growing mystery. It is possible that the existence of new “dark sector” forces, yet undiscovered, are the key to solving this fundamental problem, and one might hope that in the future such forces might even be “unified” with the ones we already know in some UV-complete framework. In this paper, following a bottom-up approach, we attempt to take the first steps in the construction of such a framework. The much-discussed possibility of the kinetic mixing (KM) of the “dark photon” with the hypercharge gauge boson of the SM via loops of portal matter (PM) fields, charged in both sectors, offers an attractive starting point for these efforts. Given the anticipated finite strength of the KM in a UV-complete theory, the absence of anomalies, and the lifetime constraints on the PM fields arising from cosmic microwave background and nucleosynthesis constraints, PM must behave as vector-like copies of the known SM fermion fields, such as those which appear naturally in, e.g., E 6 -type models. Within such a setup, the SM and their corresponding partner PM fields would be related by a new S U ( 2 ) I gauge symmetry. With this observation as a springboard, we construct a generalization of these ideas where S U ( 2 ) I is augmented by an additional U ( 1 ) I Y factor so that the light dark photon is the result of a symmetry breaking analogous to the SM, i.e., S U ( 2 ) I × U ( 1 ) I Y → U ( 1 ) D , but with U ( 1 ) D now also broken at the ≲ GeV scale. While SM fields are U ( 1 ) D singlets, as in the conventional dark photon approach, they transform nontrivially under the full S U ( 2 ) I × U ( 1 ) I Y gauge group. This approach leads to numerous interesting signatures, both at low energies and at colliders, and can be viewed as an initial step in the construction of a more UV-complete framework.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A Perspective on Multistep Pathways of Nucleation

While views on crystal nucleation throughout the 20th century were dominated by classical nucleation theory (CNT) in which the ordered nucleus forms directly from monomeric species, observations over the past two decades across scientific fields have revealed a plethora of multi-step nucleation processes, often involving more complex species. These processes have come to be known as non-classical, reflecting distinctions from the expectations of CNT. Here I consider the various classes of non-classical nucleation pathways and examine the extent to which they can be easily placed within the framework of CNT modified to include well-understood complexities in the free energy landscape and/or kinetic factors. I highlight recent examples that illustrate these pathways before turning to processes that cannot readily be included in this framework. I conclude by describing future research directions needed to fill the knowledge gaps that prevent the development of quantitative models for multi-step nucleation processes

De Yoreo, James J.↗

Data Locality Enhancement of Dynamic Simulations for Exascale Computing (Final Report)

The development of modern processors exhibits two trends that complicate the optimizations of modern software. The first is the increasing sensitivity of processors' throughput to irregularities in computation. With more processors produced through a massive integration of simple cores, future systems will increasingly favor regular data-level parallel computations, but deviate from the needs of applications with complex patterns. Some evidences are already shown on Graphic Processing Units (GPU): Irregular data accesses (e.g., indirect references A[D[i]]) and conditional branches are limiting many GPU applications' performance at a level an order of magnitude lower than the peak of GPU. The second hardware trend is the growing gap between memory bandwidth and the aggregate speed—that is, the sum of all cores' computing power—of a Chip Multiprocessor (CMP). Despite the capped growth of the peak CPU speed, the aggregate speed of a CMP keeps increasing as more cores get into a single chip. It is expected that by 2018, node concurrency in an exascale system will increase by hundreds of times, whereas, memory bandwidth will expand by only 10 to 20 times. Consequently, data movement and storage is expected to consume more than 70% of the total system power. Bridging this gap is difficult; the complexities of modern CMP memory hierarchy make it even harder: Data cache becomes shared among computing units, and the sharing is often non-uniform—whether two computing units share a cache depends on their proximity and the level of the cache. On the recent IBM Power7 architecture, for instance, four hardware contexts (or SMT threads) in a core share the entire memory hierarchy, all cores in one chip share an on-chip L3 cache, and cores across chips share L3 and main memory through off-chip connections. These two trends complicate the translation of computing power into performance, especially for a program with either intensive data accesses or complex patterns in data accesses or control flow paths. Unfortunately, both attributes present and will persist in a class of important applications. For instance, many scientific simulations deal with a large volume of data. And meanwhile, as most real-world processes are non-uniform and evolving (e.g., the evolution of a galaxy or the process of a drug injection), both the computations and data accesses of these programs tend to be irregular and dynamically changing. Currently, the lack of support to these applications on modern CMP severely limits their performance. On GPU, as our recent study shows and other studies echo, performance enhancement of a factor of integers is possible when memory accesses or control flows are streamlined for a set of GPU applications. On multicore CPU, our studies show that traditional locality enhancement, for being oblivious to the new features of multicore memory hierarchy, may even cause large slowdown to data-intensive dynamic applications. The severity of the issues is expected to worsen as the two hardware trends continue. Some recent studies try to match software with the trends, but in a limited scope or manner. For irregularities on GPU, most studies focus on irregularities analyzable through static analysis (e.g., data accesses in regular loops). Dynamic irregularities are harder to address because the needed analysis and transformations typically have to happen at run time. Some other research resorts to hardware extensions, an actual adoption of which is unclear for the entailed space cost and complexity. For data locality, recent years have seen some exploitations of the new memory hierarchy on multicore for performance, but most of them are on process or thread scheduling, rather than program transformations. Our recent study reveals that program-level transformations may magnify the scheduling benefits by a factor of seven, concluding that program-level transformation should play a central role for data locality enhancement on modern CMP. But research in this direction has been sparse, and most have focused on data layout or cache performance modeling, rather than program transformations to match with the new memory hierarchy features. Overall, it is still an open question how to bridge the gap between dynamic computations and the two prominent properties of modern processors. The goal of this project is to develop a set of techniques and software tools to enhance the matching between memory accesses in dynamic simulations and the prominent features of modern and future CMP, alleviating the memory performance issues for petascale and exascale computing. This report summarizes the discoveries and products produced throughout this project. It includes free launch, a new software approach to overcoming the shortcomings of both methods; coherence-free multiview, an approach that allows multiple views of a single data object to co-exist on GPU memory during a GPU kernel execution; algorithmic optimizations to data analytics problems, especially those that involve lots of distance calculations. Supporting dynamic parallelism is important for GPU to benefit a broad range of applications. There are currently two fundamental ways for programs to exploit dynamic parallelism on GPU: a software-based approach with software-managed worklists, and a hardware-based approach through dynamic subkernel launches. Neither is satisfactory. The former is complicated to program and is often subject to some load imbalance; the latter suffers large runtime overhead. In this work, we propose free launch, a new software approach to overcoming the shortcomings of both methods. It allows programmers to use subkernel launches to express dynamic parallelism. It employs a novel compiler-based code transformation named subkernel launch removal to replace the subkernel launches with the reuse of parent threads. Coupled with an adaptive task assignment mechanism, the transformation reassigns the tasks in the subkernels to the parent threads with a good load balance. The technique requires no hardware extensions, immediately deployable on existing GPUs. It keeps the programming convenience of the subkernel launch-based approach while avoiding its large runtime overhead. Meanwhile, its superior load balancing makes it outperform manual worklist-based techniques by 3X on average. The work was published at the 48th Annual IEEE/ACM International Symposium on Microarchitecture (Micro'2015). A Graphic Processing Unit (GPU) system is typically equipped with many types of memory (e.g., global, constant, texture, shared, cache). Data placement determines what data are placed on which type of memory, essential for GPU memory performance. Prior optimizations of data placement always require a single view of a data object on memory, which limits the optimization effectiveness. In this work, we propose coherence-free multiview, an approach that allows multiple views of a single data object to co-exist on GPU memory during a GPU kernel execution. We demonstrate that under certain conditions, the multiple views can remain incoherent while facilitating enhanced data placement. We present a theorem and some compiler support to ensure the soundness of the usage of coherence-free multiview. We further develop reference-discerning data placement, a new way to enhance data placements on GPU. It enables more flexible data placements by using coherence-free multiview to leverage the slack in coherence requirement of some GPU programs. Experiments on three types of GPU systems show that, with less than 200KB space cost, the new data placement technique can provide a 1.6X average (up to 4.27X) speedup. In addition, we have examined algorithmic optimizations to data analytics problems, especially those that involve lots of distance calculations. Computing distances among data points is an essential part of many important algorithms in data analytics, graph analysis, and other domains. In each of these domains, developers have spent significant manual effort optimizing algorithms, often through novel applications of the triangle equality, in order to minimize the number of distance computations in the algorithms. In this work, we observe that many algorithms across these domains can be generalized as an instance of a generic distance-related abstraction. Based on this abstraction, we derive seven principles for correctly applying the triangular inequality to optimize distance-related algorithms. Guided by the findings, we develop Triangular OPtimizer (TOP), the first software framework that is able to automatically produce optimized algorithms that either matches or outperforms manually designed algorithms for solving distance-related problems. TOP achieves up to 237x speedups and 2.5X on average. The work has been published at the 32nd International Conference on Machine Learning (ICML'15) and the 41st International Conference on Very Large Data Bases (VLDB'15).

42 ENGINEERING↗

Additively Manufactured Strain Sensing for Nuclear Reactor Applications

Real-time monitoring of materials in harsh environments is a crucial technique towards reducing innovation time in nuclear systems. The successful measurement of real time, in-situ strain measurements during nuclear reactor operation requires innovative sensing solutions, including novel sensing strategies as well as advanced sensor design, manufacturing, and materials selection. In this paper, we will discuss two primary strategies for in-situ strain measurement strategies: additively manufactured (AM) capacitive strain gauges (CSGs) and digital image correlation (DIC). Current commercial strain gauges have limited applications in reactors due to the harsh operating conditions and non-trivial attachment strategies (i.e., welding, epoxy-adhesive) that can affect both the sensing performance and the underlying substrate under testing. AM CSGs are a viable solution as they have a low profile, low hysteresis, and wireless sensing integration capabilities that will enhance nuclear sensing technologies. In this work, the mechanical and thermal performance of the AM CSGs were tested up to 300 °C using ASTM standardized testing procedures to simulate the temperatures found in existing light water reactors. The AM CSGs had a similar performance across multiple samples which correlates to analytical models. This work leads towards the development of CSGs designed for higher temperatures and additional environmental factors found in Generation-IV reactors. Non-contact sensors, such as DIC, offer a less destructive way to measure deformation of materials when compared to alternative methods of in-situ strain determination, such as weldable strain gauges. However, DIC requires high contrast surfaces, which often relies on the implementation of artificial patterns. Using traditional splatter techniques to fabricate these patterns have limitations, including poor surface adhesion and reproducibility. In this work, AM fabrication techniques were implemented to avoid such limitations. Accordingly, aerosol jet printing (AJP) was used to print small scale periodic patterns of silver on stainless steel and aluminum tensile specimens. DIC was employed to monitor strain (up to 1100 µe) during temperature cycling from 23-600 °C. The results validated the use of AJP to better control pattern parameters for small fields of view applications at high temperatures.

36 MATERIALS SCIENCE↗

Damped Ly α absorbers and atomic hydrogen in galaxies: the view of the GAEA model

ABSTRACT Using the GAEA semi-analytic model, we analyse the connection between Damped Ly α systems (DLAs) and H i in galaxies. Our state-of-the-art semi-analytic model is tuned to reproduce the local galaxy H i mass function, and that also reproduces other important galaxy properties, including the galaxy mass–gas metallicity relation. To produce catalogues of simulated DLAs we throw 105 random lines of sight in a composite simulated volume: dark matter haloes with log$(\frac{M_{200}}{ {\rm M}_{\odot }}) \ge 11.5$ are extracted from the Millennium Simulation, while for $9.2 \le \log (\frac{M_{200}}{ \mathrm{M}_{\odot }})\lt 11.5$ we use the Millennium II, and for $8 \le \log (\frac{M_{200}}{\mathrm{M}_{\odot }}) \lt 9.2$ a halo occupation distribution model. At 2 < z < 3, where observational data are more accurate, our fiducial model predicts the correct shape of the column density distribution function, but its normalization falls short of the observations, with the discrepancy increasing at higher redshift. The agreement with observations is significantly improved increasing both the H i masses and the disc radii of model galaxies by a factor of 2, as implemented ‘a posteriori’ in our 2M−2R model. In the redshift range of interest, haloes with $M_{200} \ge {10}^{11} \, \mathrm{M}_{\odot }$ give the major contribution to ΩDLA, and the typical DLA host halo mass is $\sim \!{10}^{11} \, \mathrm{M}_{\odot }$. The simulated DLA metallicity distribution is in relatively good agreement with observations, but our model predicts an excess of DLAs at low metallicities. Our results suggest possible improvements for the adopted modelling of the filtering mass and metal ejection in low-mass haloes.

Di Gioia, Serafina↗

Collaborative Proposal: Improving understanding of the internal structure and dynamics of deep convection using ARM observations and large eddy simulations

Recent observational and large eddy simulation (LES) modeling studies have nearly unanimously supported the view of deep cumulus convection being composed of a series of quasi-spherical bubbles of buoyant air, known as moist thermals. Despite the prevalence of moist thermals in deep convection, a comprehensive theory for the dynamics of these structures is lacking. Most current conceptual models for cumulus convection are based on canonical scaling theories for dry thermals or plumes; however, there is considerable evidence that the behavior of moist thermals differs markedly from these theories. Furthermore, the theoretical basis for most cumulus parameterizations originates from the plume conceptual model, and therefore these parameterizations are inconsistent with the real structure of moist convection. Motivated by the aforementioned knowledge gaps, this “end-to-end” research effort use theory, observations, numerical simulations, and direct improvements to the Zhang-McFarlane (ZM) convection scheme in the global climate Community Atmosphere Model (CAM) to address the following research questions: What key environmental parameters determine whether or not shallow convection will transition into deep convection, in the context of thermal-like updrafts? What factors regulate the size of thermals within cumulus updrafts? How does vertical wind shear influence thermal behavior, and as a consequence, vertical velocity and mass flux profiles and the shallow-to-deep convective transition? What are the critical processes that determine updraft vertical velocities and their connection to the vertical mass flux profile for thermal-like updrafts? Idealized LES modeling will be used in conjunction with theoretical models for the core properties of thermal-like updrafts to better understand key processes that regulate thermal ascent rates and entrainment properties. Thermal-tracking procedures will be used to characterize the behavior of thermals within the LES, and recently developed direct measures of entrainment and detrainment will be used to quantify entrainment/detrainment rates. Building from these results, we will analyze the structure of moist thermals from hemispheric range-height indicator scans taken during the Atmospheric Radiation Measurement Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign, and from “real case” LES of CACTI events. This combined modeling and observational analysis will provide essential validation for the existing body of research on moist thermal dynamics, which is based primarily on modeling studies. With the insight gained from the aforementioned activities, we will modify the Zhang-McFarlane convection scheme to improve its representation of updraft vertical velocity and entrainment rate profiles. These process-level changes will be tested in the Community Atmosphere Model to assess the impact on global climate simulations.

54 ENVIRONMENTAL SCIENCES↗

On the possibility of baryon acoustic oscillation measurements at redshift z > 7.6 with the Roman space telescope

ABSTRACT The Nancy Grace Roman Space Telescope (RST), with its field of view and high sensitivity will make surveys of cosmological large-scale structure possible at high redshifts. We investigate the possibility of detecting baryon acoustic oscillations (BAO) at redshifts z > 7.6 for use as a standard ruler. We use data from the hydrodynamic simulation bluetides in conjunction with the gigaparsec-scale Outer Rim simulation and a model for patchy reionization to create mock RST High Latitude Survey grism data for Lyman α emission line selected galaxies at redshifts z = 7.4 to z = 10, covering 2280 deg2. We measure the monopoles of galaxies in the mock catalogues and fit the BAO features. We find that for a line flux of $L = 7\times 10^{-17} \ {\rm erg\, s^{-1}\, cm}^{-2}$, the 5σ detection limit for the current design, the BAO feature is partially detectable (measured in three out of four survey quadrants analysed independently). The resulting root mean square error on the angular diameter distance to z = 7.7 is 7.9 ${{\ \rm per\ cent}}$. If we improve the detection sensitivity by a factor of two (i.e. $L = 3.5\times 10^{-17} \ {\rm erg\, s^{-1}\, cm}^{-2}$), the distance error reduces to $1.4{{\ \rm per\ cent}}$. We caution that many more factors are yet to be modelled, including dust obscuration, the damping wing due to the intergalactic medium, and low redshift interlopers. If these issues do not strongly affect the results, or different observational techniques (such as use of multiple lines) can mitigate them, RST, or similar instruments may be able to constrain the angular diameter distance to the high redshift universe.

79 ASTRONOMY AND ASTROPHYSICS↗

Charge radii in covariant density functional theory: A global view

A systematic global investigation of differential charge radii has been performed within the CDFT framework for the first time. Theoretical results obtained with conventional covariant energy density functionals and the separable pairing interaction of Tian et al. [Phys. Lett. B 676, 44 (2009)] are compared with experimental differential charge radii in the regions of the nuclear chart in which available experimental data crosses the neutron shell closures at N=28,50,82, and 126. The analysis of absolute differential radii of different isotopic chains and their relative properties indicate clearly that such properties are reasonably well described in model calculations in the cases when the mean-field approximation is justified. However, while the observed clusterization of differential charge radii of different isotopic chains is well described above the N=50 and N=126 shell closures, it is more difficult to reproduce it above the N=28 and N=82 shell closures because of possible deficiencies in the underlying single-particle structure. The impact of the latter has been evaluated for spherical shapes and it was shown that the relative energies of the single-particle states and the patterns of their occupation with increasing neutron number have an appreciable impact on the evolution of the δ$\langle$r2$\rangle$N,N' values. These factors also limit the predictive power of model calculations in the regions of high densities of the single-particle states of different origin. It is shown that the kinks in the charge radii at neutron shell closures are due to the underlying single-particle structure and due to weakening or collapse of pairing at these closures. The regions of the nuclear chart in which the correlations beyond mean field are expected to have an impact on charge radii are indicated; the analysis shows that the assignment of a calculated excited prolate minimum to the experimental ground state allows us to understand the trends of the evolution of differential charge radii with neutron number in many cases of shape coexistence even at the mean-field level. It is usually assumed that pairing is a dominant contributor to odd-even staggering (OES) in charge radii. Our analysis paints a more complicated picture. It suggests a new mechanism in which the fragmentation of the single-particle content of the ground state in odd-mass nuclei due to particle-vibration coupling provides a significant contribution to OES in charge radii.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Influence of extreme temperature conditions on CO 2 direct air capture using amino-acid solutions

Geological features play a pivotal role in determining the feasibility of deploying CO₂ direct air capture (DAC) technologies, primarily because they influence the availability of cost-effective energy sources, such as natural gas and geothermal energy, and also due to the potential for CO₂ sequestration. Many regions face challenges due to variable weather conditions including seasonal temperature fluctuations, high or low humidity, and sub-ambient temperatures. These extremes can reduce DAC performance or even lead to catastrophic events. Aqueous solvents considered for DAC systems are particularly vulnerable to seasonal variations in colder climates, where the solvent may underperform or freeze. It is therefore essential to investigate the CO₂ capture efficiency of aqueous solvents across a broad range of environmental temperatures, spanning sub-zero to hot conditions (>30 °C). In this study, DAC operation is examined using a high-flux solvent–air crossflow contactor under two major weather scenarios: (i) cold conditions below 0 °C and (ii) hot conditions above 30 °C. A parametric study is conducted to investigate the contactor performance regarding CO₂ removal efficiency, uptake capacity, and reaction kinetics versus temperature when the air velocity through the contactor exceeds 1 m/s. The efficacy of the contactor is systematically investigated using various anti-freeze amino-acid solvent formulations. A mass-transfer mechanistic model is developed to assess the process performance over a wide temperature range and propose scalable design guidelines. Machine learning is also employed to identify key parameters affecting the CO₂ capture efficiency. It is shown that air velocity and temperature are the primary factors influencing CO₂ uptake. Based on performance data obtained under subfreezing temperatures, a technoeconomic analysis is conducted to evaluate the feasibility of using aqueous solvents in seasonal cold regions. In conclusion, the findings of this study provide valuable insights into siting considerations for deploying solvent-based DAC, thereby contributing to the advancement of sustainable carbon removal solutions.

Air–liquid contactor↗

Future of plasma etching for microelectronics: Challenges and opportunities

Plasma etching is an essential semiconductor manufacturing technology required to enable the current microelectronics industry. Along with lithographic patterning, thin-film formation methods, and others, plasma etching has dynamically evolved to meet the exponentially growing demands of the microelectronics industry that enables modern society. At this time, plasma etching faces a period of unprecedented changes owing to numerous factors, including aggressive transition to three-dimensional (3D) device architectures, process precision approaching atomic-scale critical dimensions, introduction of new materials, fundamental silicon device limits, and parallel evolution of post-CMOS approaches. The vast growth of the microelectronics industry has emphasized its role in addressing major societal challenges, including questions on the sustainability of the associated energy use, semiconductor manufacturing related emissions of greenhouse gases, and others. The goal of this article is to help both define the challenges for plasma etching and point out effective plasma etching technology options that may play essential roles in defining microelectronics manufacturing in the future. The challenges are accompanied by significant new opportunities, including integrating experiments with various computational approaches such as machine learning/artificial intelligence and progress in computational approaches, including the realization of digital twins of physical etch chambers through hybrid/coupled models. These prospects can enable innovative solutions to problems that were not available during the past 50 years of plasma etch development in the microelectronics industry. To elaborate on these perspectives, the present article brings together the views of various experts on the different topics that will shape plasma etching for microelectronics manufacturing of the future.

Engineering↗