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DOE OSTI2023

Observational Constraints on the Cloud Feedback Pattern Effect

Abstract Model evidence for the “pattern effect” assumes that global climate models (GCMs) faithfully simulate how clouds respond to varying sea surface temperature (SST) patterns and associated meteorological perturbations. We exploit time-invariant satellite-based estimates of the sensitivity of marine low clouds to meteorological perturbations to estimate how these clouds responded to time-varying SST patterns and meteorology between 1870 and 2014. GCMs and reanalyses provide estimates of the historical meteorological changes. Observations suggest that increasing estimated inversion strength (EIS) between 1980 and 2014 produced a negative low cloud feedback, opposite to the positive feedback expected from increasing CO 2 . This indicates that the processes responsible for marine cloud changes from 1980 to the near present are distinct from those associated with an increase in CO 2 . We also observationally constrain the difference between the historical near-global marine low cloud feedback, , and that arising from increasing CO 2 , . We find that this cloud feedback pattern effect depends strongly on time period and reanalysis dataset, and that varying changes in EIS and SST with warming explain much of its variability. Between 1980 and 2014, we estimate that (90% confidence) assuming meteorological changes from the Multiple Reanalysis Ensemble, implying a total pattern effect (that arising from all climate feedbacks) of 1.86 ± 0.45 W m −2 K −1 . This observational evidence corroborates previous quantitative estimates of the pattern effect, which heretofore relied largely upon GCM-based cloud changes. However, disparate historical meteorological changes across individual reanalyses contribute to considerable uncertainty in its magnitude.

58 GEOSCIENCES↗

DOE OSTI2022

Title Coherent X-ray Studies of Surface Growth and Patterning Processes

X-ray Photon Correlation Spectroscopy (XPCS) is being developed as a tool to study nanoscale dynamics of fluctuations during thin film growth and surface patterning. XPCS examines the evolution of the X-ray scattering speckle pattern in reciprocal space to reveal dynamics information not accessible through any other means. Unlike low-coherence conventional X-ray scattering, which incoherently averages over different regions of a sample, coherent X-ray scattering is sensitive to the detailed structure of a given sample at that moment in time. In thin film growth processes, heterodyning, which occurs due to coherent mixing of two scattered signals, can be used to investigate the relationship between surface growth velocity and defect propagation. And, for polycrystalline thin film growth, the spatial coherence of the X-ray beam can substitute for the missing spatial coherence of the growth process to track layered growth in detail, even in a growth regime in which there are no conventional growth oscillations of the X-ray intensity. This has opened the door for detailed dynamics studies of individual atomic layers during real-world growth and patterning, not just in perfect single-crystal growth cases, which greatly expands the applicability of in-situ X-ray scattering methods. Step-flow dynamics in mounded polycrystalline growth has been studied separately for two thin film organic semiconductors deposited by thermal deposition in a vacuum environment, C60 and diindenoperylene (DIP). Highly oriented polycrystalline thin films are readily obtained in both systems, where mounds are composed of crystalline monolayer-height steps and terraces in a so-called wedding cake morphology. The formation of mounds is understood to be due to significant Ehrlich-Schwoebel step edge barriers that inhibit molecules from hopping down from one layer to the one below. The mounds exhibit local step flow, which can be monitored using coherent X-ray scattering. This is made possible due to heterodyning between scattering from the average mounds and the moving steps, which becomes visible in XPCS analysis. The effect of desorption, i.e. re-evaporation of deposited molecules is found to be important for understanding these processes. The impact of this work is to enable testing of models of step dynamics, the shape of mounds, and merging of mounds to form continuous thin films. Highly ordered polycrystalline thin films deposited on inexpensive substrates have applications in thin film solar cells and other organic electronic devices. In a separate set of experiments, speckle analysis during self-organized ion beam nanopatterning reveals memory stretching back to the beginning of patterning in the early stages and enables measurement of the velocity of self-organized patterns across surfaces providing the possibility of stringent new tests of the theory of pattern formation and motion.

36 MATERIALS SCIENCE↗

DOE OSTI2023

INTERSECT Architecture Specification: Use Case Design Patterns (V.0.9)

Connecting scientific instruments and robot-controlled laboratories with computing and data resources at the edge, the Cloud or the high-performance computing (HPC) center enables autonomous experiments, self-driving laboratories, smart manufacturing, and artificial intelligence (AI)-driven design, discovery and evaluation. The Self-driven Experiments for Science / Interconnected Science Ecosystem (INTERSECT) Open Architecture enables science breakthroughs using intelligent networked systems, instruments and facilities with a federated hardware/software architecture for the laboratory of the future. It relies on a novel approach, consisting of (1) science use case design patterns, (2) a system of systems architecture, and (3) a microservice architecture. This document introduces the science use case design patterns of the INTERSECT Architecture. It describes the overall background, the involved terminology and concepts, and the pattern format and classification. It further details the 12 defined patterns and provides insight into building solutions from these patterns. The document also describes the application of these patterns in the context of several INTERSECT autonomous laboratories. The target audience are computer, computational, instrument and domain science experts working in the field of autonomous experiments.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Discovering multi-scale co-occurrence patterns of asthma and influenza with the Oak Ridge bio-surveillance toolkit

Here, we describe a data-driven unsupervised machine learning approach to extract geo-temporal co-occurrence patterns of asthma and the flu from large-scale electronic healthcare reimbursement claims (eHRC) datasets. Specifically, we examine the eHRC data from 2009 to 2010 pandemic H1N1 influenza season and analyze whether different geographic regions within the United States (US) showed an increase in co-occurrence patterns of the flu and asthma. Our analyses reveal that the temporal patterns extracted from the eHRC data show a distinct lag time between the peak incidence of the asthma and the flu. While the increased occurrence of asthma contributed to increased flu incidence during the pandemic, this co-occurrence is predominant for female patients. The geo-temporal patterns reveal that the co-occurrence of the flu and asthma are typically concentrated within the south-east US. Further, in agreement with previous studies, large urban areas (such as New York, Miami, and Los Angeles) exhibit co-occurrence patterns that suggest a peak incidence of asthma and flu significantly early in the spring and winter seasons. Together, our data-analytic approach, integrated within the Oak Ridge Bio-surveillance Toolkit platform, demonstrates how eHRC data can provide novel insights into co-occurring disease patterns.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Spatial–Temporal Patterns of Historical, Near-Term, and Projected Drought in the Conterminous United States

Major droughts in the United States have heavily impacted the hydrologic system, negatively effecting energy and food production. Improved understanding of historical drought is critical for accurate forecasts. Data from global climate models (GCMs), commonly used to assess drought, cannot effectively evaluate local patterns because of their low spatial scale. This research leverages downscaled (~4 km grid spacing) temperature and precipitation estimates from nine GCMs’ data under the business-as-usual scenario (Representative Concentration Pathway 8.5) to examine drought patterns. Drought severity is estimated using the Palmer Drought Severity Index (PDSI) with the Thornthwaite evapotranspiration method. The specific objectives were (1) To reproduce historical (1966–2005) drought and calculate near-term to future (2011–2050) drought patterns over the conterminous USA. (2) To uncover the local variability of spatial drought patterns in California between 2012 and 2018 using a network-based approach. Our estimates of land proportions affected by drought agree with the known historical drought events of the mid-1960s, late 1970s to early 1980s, early 2000s, and between 2012 and 2015. Network analysis showed heterogeneity in spatial drought patterns in California, indicating local variability of drought occurrence. The high spatial scale at which the analysis was performed allowed us to uncover significant local differences in drought patterns. This is critical for highlighting possible weak systems that could inform adaptation strategies such as in the energy and agricultural sectors.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Applying the Tremaine–Weinberg Method to Nearby Galaxies: Stellar-mass-based Pattern Speeds and Comparisons with ISM Kinematics

We apply the Tremaine–Weinberg method to 19 nearby galaxies using stellar mass surface densities and velocities derived from the PHANGS-MUSE survey, to calculate (primarily bar) pattern speeds (Ω{sub P}). After quality checks, we find that around half (10) of these stellar-mass-based measurements are reliable. For those galaxies, we find good agreement between our results and previously published pattern speeds, and we use rotation curves to calculate major resonance locations (corotation radii and Lindblad resonances). We also compare these stellar-mass-derived pattern speeds with Hα (from MUSE) and CO(J = 2 − 1) emission from the PHANGS-ALMA survey. We find that in the case of these clumpy interstellar medium (ISM) tracers, this method erroneously gives a signal that is simply the angular frequency at a representative radius set by the distribution of these clumps (Ω{sub clump}), and that this Ω{sub clump} is significantly different from Ω{sub P} (∼20% in the case of Hα, and ∼50% in the case of CO). Thus, we conclude that it is inadvisable to use “pattern speeds” derived from ISM kinematics. Finally, we compare our derived pattern speeds and corotation radii, along with bar properties, to the global parameters of these galaxies. Consistent with previous studies, we find that galaxies with a later Hubble type have a larger ratio of corotation radius to bar length, more molecular-gas-rich galaxies have higher Ω{sub P}, and more bulge-dominated galaxies have lower Ω{sub P}. Unlike earlier works, however, there are no clear trends between the bar strength and Ω{sub P}, nor between the total stellar mass surface density and the pattern speed.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2017

Diversity of Abundance Patterns of Light Neutron-capture Elements in Very-metal-poor Stars

We determine the abundances of neutron-capture elements from Sr to Eu for five very-metal-poor stars (−3 < [Fe/H] < −2) in the Milky Way halo to reveal the origin of light neutron-capture elements. Previous spectroscopic studies have shown evidence of at least two components in the r-process; one referred to as the “main r-process” and the other as the “weak r-process,” which is mainly responsible for producing heavy and light neutron-capture elements, respectively. Observational studies of metal-poor stars suggest that there is a universal pattern in the main r-process, similar to the abundance pattern of the r-process component of solar-system material. Still, it is uncertain whether the abundance pattern of the weak r-process shows universality or diversity, due to the sparseness of measured light neutron-capture elements. We have detected the key elements, Mo, Ru, and Pd, in five target stars to give an answer to this question. The abundance patterns of light neutron-capture elements from Sr to Pd suggest a diversity in the weak r-process. In particular, scatter in the abundance ratio between Ru and Pd is significant when the abundance patterns are normalized at Zr. Our results are compared with the elemental abundances predicted by nucleosynthesis models of supernovae with parameters such as electron fraction or proto-neutron-star mass, to investigate sources of such diversity in the abundance patterns of light neutron-capture elements. This paper presents that the variation in the abundances of observed stars can be explained with a small range of parameters, which can serve as constraints on future modeling of supernova models.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Exploring precipitation pattern scaling methodologies and robustness among CMIP5 models

Pattern scaling is a well-established method for approximating modeled spatial distributions of changes in temperature by assuming a time-invariant pattern that scales with changes in global mean temperature. We compare two methods of pattern scaling for annual mean precipitation (regression and epoch difference) and evaluate which method is better in particular circumstances by quantifying their robustness to interpolation/extrapolation in time, inter-model variations, and inter-scenario variations. Both the regression and epoch-difference methods (the two most commonly used methods of pattern scaling) have good absolute performance in reconstructing the climate model output, measured as an area-weighted root mean square error. We decompose the precipitation response in the RCP8.5 scenario into a CO 2 portion and a non-CO 2 portion. Extrapolating RCP8.5 patterns to reconstruct precipitation change in the RCP2.6 scenario results in large errors due to violations of pattern scaling assumptions when this CO 2 -/non-CO 2 -forcing decomposition is applied. As a result, the methodologies discussed in this paper can help provide precipitation fields to be utilized in other models (including integrated assessment models or impacts assessment models) for a wide variety of scenarios of future climate change.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2014

Ion Implantation with in-situ Patterning for IBC Solar Cells

Interdigitated back-side Contact (IBC) solar cells are the highest efficiency silicon solar cells currently on the market. Unfortunately the cost to produce these solar cells is also very high, due to the large number of processing steps required. Varian believes that only the combination of high efficiency and low cost can meet the stated goal of $1/Wp. The core of this program has been to develop an in-situ patterning capability for an ion implantation system capable of producing patterned doped regions for IBC solar cells. Such a patterning capable ion implanter can reduce the number of process steps required to manufacture IBC cells, and therefore significantly reduce the cost. The present program was organized into three phases. Phase I was to select a patterning approach and determine the patterning requirements for IBC cells. Phase II consists of construction of a Beta ion implantation system containing in-situ patterning capability. Phase III consists of shipping and installation of the ion implant system in a customer factory where it will be tested and proven in a pilot production line.

14 SOLAR ENERGY↗

DOE OSTI2018

Mass balance implies Holocene development of a low-relief karst patterned landscape

We constructed mass balances of both calcium and phosphorus for two watersheds in Big Cypress National Preserve in southwest Florida (USA) to evaluate the time scales over which its striking landscape pattern developed. This low-relief carbonate landscape is dotted with evenly spaced, evenly sized, shallow surface depressions that annually fill with surface water and thus support wetland ecosystems (e.g. cypress domes) embedded in a pine-dominated upland matrix with exposed bedrock. Local and landscape scale feedbacks between hydrology, ecological dynamics and limestone dissolution are hypothesized to explain this karst dissolution patterning. This hypothesis requires the region to be wet enough to initiate surface water storage, which constrains landscape formation to interglacial periods. The time scale therefore would be relatively recent if creation of the observed pattern occurred in the current interglacial period (i.e. Holocene), and older time scales could reflect inherited patterns from previous inter-glacial periods, or from other processes of abiotic karstification. We then determined phosphorus stocks across four landscape compartments and estimated the limestone void space (i.e., wetland depression volume) across the landscape to represent cumulative calcium export. We calculated fluxes in (e.g., atmospheric deposition) and out (i.e., solute export) of the landscape to determine landscape denudation rates through mass balance. Comparing stocks and annual fluxes yielded independent estimates of landscape age from the calcium and phosphorus budgets. Our mass balance results indicate that the landscape began to develop in the early-mid Holocene (12,000–5000 ybp). Radiocarbon dating estimates implied similar rates of dissolution (~1 m per 3000–3500 years), and were in agreement with Holocene origin. This supports the hypothesis that ecohydrologic feedbacks between hydrology and vegetation occurring during the present interglacial period are sufficient to shape this landscape into the patterns we see today, and more broadly suggests the potential importance of biota in the development of macro-scale karst features.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Transcriptional network orchestrating regional patterning of cortical progenitors

We uncovered a transcription factor (TF) network that regulates cortical regional patterning in radial glial stem cells. Screening the expression of hundreds of TFs in the developing mouse cortex identified 38 TFs that are expressed in gradients in the ventricular zone (VZ). We tested whether their cortical expression was altered in mutant mice with known patterning defects (Emx2, Nr2f1, and Pax6), which enabled us to define a cortical regionalization TF network (CRTFN). To identify genomic programming underlying this network, we performed TF ChIP-seq and chromatin-looping conformation to identify enhancer–gene interactions. To map enhancers involved in regional patterning of cortical progenitors, we performed assays for epigenomic marks and DNA accessibility in VZ cells purified from wild-type and patterning mutant mice. This integrated approach has identified a CRTFN and VZ enhancers involved in cortical regional patterning in the mouse.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Design of Multicomponent Peptide Fibrils with Ordered and Programmable Compositional Patterns

Advanced applications of biomacromolecular assemblies require a stringent degree of control over molecular arrangement, which is a challenge to current synthetic methods. Here we used a neighbor-controlled patterning strategy to build multicomponent peptide fibrils with an unprecedented capacity to manipulate local composition and peptide positions. Eight peptides were designed to have regulable nearest neighbors upon co-assembly, which, by simulation, afforded 412 different patterns within fibrils, with varied compositions and/or peptide positions. The fibrils with six prescribed patterns were experimentally constructed with high accuracy. The controlled patterning also applies to functionalities appended to the peptides, as exemplified by arranging carbohydrate ligands at nanoscale precision for protein recognition. Importantly, this study offers a route to molecular editing of inner structures of peptide assemblies, prefiguring the uniqueness and richness of patterning-based material design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Large-scale meteorological control on the spatial pattern of wintertime PM 2.5 pollution over China

The frequent episodes of severe air pollution over China during recent years have posed serious health threats to densely populated eastern China. Although several studies investigated the linkage between enhanced severity and frequency of air pol-lution and the large-scale weather patterns over China, the day-to-day covariability between them, as well as its local and remote mechanisms, has not been systemati-cally documented. The wintertime synoptic covariability between PM 2.5 and large-scale meteorological fields is studied using surface observations of PM 2.5 in 2013/2014–2016/2017 and ERA-Interim meteorological fields through maximum covariance analysis (MCA). The first MCA mode (MCA1) suggests a consistent accumulation of ambient PM 2.5 as a result of weakened winds that block the pollut-ant removal passage in heavily polluted areas of eastern China, as well as moist air from southeast coast favoring haze formation. A northeast–southwest belt that extends into northeastern China and central China on each end is more sensitive to MCA1. The second MCA mode (MCA2) shows a north–south dipole in PM 2.5 linked to the contrast of boundary layer height and surface wind speed between northern and southern regions of China. Spatial patterns of both modes are supported by the GEOS-Chem chemistry transport model with realistic emission inventory. The spatial patterns of the two modes are robust on the interannual time scales. Based on that, we investigate the variability of the first two modes of the identified modes on the multidecadal scale by projecting GPM_500 pattern to 1981–2010. Correlation analysis of the projected time series and climate indices over 30 years indicates the possible linkage of Arctic oscillation, ENSO indices, Pacific decadal oscillation and east Atlantic/western Russia to regional air pollution patterns over China.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Efficient Fresnel zoneplate pattern data preparation for high-resolution nanofabrication

A Fresnel zoneplate is a diffractive optical element consisting of concentric rings (zones) for which the transmitted light produces a focal spot that is used in all wavelength regimes, including X-rays. The pattern of transmission openings determines the location of the spot and the sub-half wavelength size of the openings can adjust the intensity. Today, very general transmission zoneplate patterns are used for many special imaging and image compensation purposes. Manufacturing zoneplates require a zoneplate pattern file, which precisely describes the size, shape, and contour of the rings based on the desired optical properties of the lens. Generating such a pattern requires the delicate balance of achieving the required optical performance while maintaining manageable file sizes and computation times. Here we describe a new algorithm meeting these needs. In conclusion, by precisely controlling the number of shapes in each zone, the algorithm simultaneously optimizes the desired optical tolerances with the pattern file size.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Functional stimuli-responsive polymers on micro- and nano-patterned interfaces

Micro- and nano-patterned surfaces offer precise control over morphology and chemical composition, enhancing the stability, durability, and functionality of coating materials. When combined with stimuli-responsive polymers, these surfaces gain dynamic adaptability, enabling reversible binding, reusable sensing, and selective molecular capture. Furthermore, while recent review articles have explored various aspects of stimuli-responsive materials, from hydrogel patterns for bioanalytical applications to shape-morphing hydrogels for soft robotics and sensors, a comprehensive review focused on the integration of smart polymers with micro- or nano-patterned interfaces remains absent. This review addresses key surface patterning techniques, including soft lithography, colloidal lithography, and polymer brush photolithography, as well as advances in surface-initiated polymerization methods, such as surface-initiated controlled radical polymerization (SI-CRP). In addition, we discuss recent progress in integrating stimuli-responsive polymers with patterned surfaces to create advanced, functional materials.

Colloidal lithography↗

DOE OSTI2017

Complex Pattern Formation from Current-Driven Dynamics of Single-Layer Homoepitaxial Islands on Crystalline Conducting Substrates

In this work, we report a systematic study of complex pattern formation resulting from the driven dynamics of single-layer homoepitaxial islands on surfaces of face-centered-cubic (fcc) crystalline conducting substrates under the action of an externally applied electric field. The analysis is based on an experimentally validated nonlinear model of mass transport via island edge atomic diffusion, which also accounts for edge diffusional anisotropy. We analyze the morphological stability and simulate the field-driven evolution of rounded islands for an electric field oriented along the fast edge diffusion direction. For larger-than-critical island sizes on {110} and {100} fcc substrates, we show that multiple necking instabilities generate complex island patterns, including not-simply-connected void-containing islands mediated by sequences of breakup and coalescence events and distributed symmetrically with respect to the electric field direction. We analyze the dependence of the formed patterns on the original island size and on the duration of application of the external field. Starting from a single large rounded island, we characterize the evolution of the number of daughter islands and their average size and uniformity. The evolution of the average island size follows a universal power-law scaling relation, and the evolution of the total edge length of the islands in the complex pattern follows Kolmogorov-Johnson-Mehl-Avrami kinetics. Our study makes a strong case for the use of electric fields, as precisely controlled macroscopic forcing, toward surface patterning involving complex nanoscale features.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

LaueMatching: an approach for rapid and robust indexing of Laue diffraction patterns

Traditional Laue diffraction pattern indexing often struggles with noisy data, weak signals, peak overlap and missing reflections, particularly from complex or deformed microstructures. Here, we introduce LaueMatching, a high-throughput indexing algorithm designed to overcome these limitations. LaueMatching utilizes a fundamentally different approach based on direct pattern correlation: experimentally pre-processed images are compared against a comprehensive pre-computed library of simulated diffraction patterns corresponding to a dense grid of possible orientations. This approach bypasses the need for explicit peak identification and fitting, steps that are often a failure point for traditional methods. The algorithm rapidly and robustly indexes multiple crystallographic orientations and crystal systems simultaneously, even from challenging patterns. LaueMatching's effectiveness and accuracy have been rigorously tested and validated on diverse experimental (Ni, Al, EuAl 2 O 4 ) and simulated diffraction patterns, demonstrating high-fidelity orientation refinement. Code to implement this approach on both CPU and GPU resources can be downloaded from https://github.com/AdvancedPhotonSource/LaueMatching.

36 MATERIALS SCIENCE↗

DOE OSTI2018

TPR: Traffic Pattern-based Adaptive Routing for Dragonfly Networks

The Cray Cascade architecture uses Dragonfly as its interconnect topology and employs a globally adaptive routing scheme called UGAL. UGAL directs traffic based on link loads but may make inappropriate adaptive routing decisions in various situations, which degrades its performance. Here in this work, we propose traffic pattern-based adaptive routing (TPR) for Dragonfly that improves UGAL by incorporating a traffic pattern-based adaptation mechanism. The idea is to explicitly use the link usage statistics that are collected in performance counters to infer the traffic pattern, and to take the inferred traffic pattern plus link loads into consideration when making adaptive routing decisions. Furthermore, our performance evaluation results on a diverse set of traffic conditions indicate that by incorporating the traffic pattern-based adaptation mechanism, TPR is much more effective in making adaptive routing decisions and achieves significant lower latency under low load and higher throughput under high load than its underlying UGAL.

97 MATHEMATICS AND COMPUTING↗