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DOE OSTI2026

A solid-state extrusion pathway extensible to upcycling aluminum scrap and end-of-life permanent magnets into ductile Al-6061/SmCo 5 structural magnetic composites

Permanent magnets offer strong potential for multifunctional structural components, but their inherent brittleness limits direct integration. Here, SolidStir® Extrusion (SSE) is used to embed SmCo5 powder into AA6061 in the solid state, and the resulting microstructure, interfacial chemistry, mechanical properties, and magnetic response are systematically characterized. SSE fragments the initial SmCo 5 powder into predominantly fine particles dispersed within an ultrafine Al matrix, with a volume fraction of ∼ 4–6 % in this proof-of-concept study. Interfacial reactions form a continuous Al–Co reaction layer, with local atomic-resolution indexing consistent with Al 13 Co 4 , together with Sm–Si-rich reaction products, while the matrix contains Sm–Co–Si-rich precipitates and Mg 2 Si, producing features from nanometers to micrometers. Compared with an Al extrudate, this architecture increases yield strength by ∼ 42 % and tensile strength by ∼ 31 %, while preserving uniform elongation, and it sustains work hardening in compression from 150 to 400 °C. The composite retained hard-magnetic behavior, with axial magnetization of 12.7 A·m 2 kg −1 at 6 T and intrinsic coercivity of 9.6 kOe. These findings demonstrate that SSE can produce Al-based load-bearing magnetic composites while preserving useful SmCo5 functionality.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Chapter 8: Searching for Life Beyond Earth

The search for life beyond Earth necessitates a rigorous and comprehensive examination of biosignatures, the types of observable imprints that life produces. These imprints and our ability to detect them with advanced instrumentation hold the key to our understanding of the presence and abundance of life in the universe. Biosignatures are the chemical or physical features associated with past or present life and may include the distribution of elements and molecules, alone or in combination, as well as changes in structural components or physical processes that would be distinct from an abiotic background. The scientific and technical strategies used to search for life on other planets include those that can be conducted in situ to planetary bodies and those that could be observed remotely. Here this chapter discusses numerous strategies that can be employed to look for biosignatures directly on other planetary bodies using robotic exploration including those that have been deployed to other planetary bodies, are currently being developed for flight, or will become a critical technology on future missions. Search strategies for remote observations using current and planned ground-based and space-based telescopes are also described. Evidence from spectral absorption, emission, or transmission features can be used to search for remote biosignatures and technosignatures. Improving our understanding of biosignatures, their production, transformation, and preservation on Earth can enhance our search efforts to detect life on other planets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Magnetic anisotropy in single-crystalline antiferromagnetic Mn 2 Au

Multiple recent studies have identified the metallic antiferromagnet Mn 2 ⁢Au to be a candidate for spintronic applications due to apparent in-plane anisotropy, preserved magnetic properties above room temperature, and current-induced Néel vector switching. Crystal growth is complicated by the fact that Mn 2 ⁢Au melts incongruently. We present a bismuth flux method to grow millimeter-scale bulk single crystals of Mn 2 ⁢Au in order to examine the intrinsic anisotropic electrical and magnetic properties. Flux quenching experiments reveal that the Mn 2 ⁢Au crystals precipitate below 550°⁢C, about 100⁢°⁢C below the decomposition temperature of Mn 2 ⁢Au. Bulk Mn 2 ⁢Au crystals have a room-temperature resistivity of 16–19 µ⁢Ωcm and a residual resistivity ratio of 41. Mn 2 ⁢Au crystals have a dimensionless susceptibility on the order of 10 –4 (SI units), comparable to calculated and experimental reports on powder samples. Single-crystal neutron diffraction confirms the in-plane magnetic structure. The tetragonal symmetry of Mn 2 ⁢Au constrains the ab-plane magnetic susceptibility to be constant, meaning that χ 100 =χ 110 in the low-field limit, below any spin-flop transition. We find that three measured magnetic susceptibilities χ 100 , χ 110 , and χ 001 are the same order of magnitude and agree with the calculated prediction, meaning the low-field susceptibility of Mn 2 ⁢Au is quite isotropic, despite clear differences in ab-plane and ac-plane magnetocrystalline anisotropy. Mn 2 ⁢Au is calculated to have an extremely high in-plane spin-flop field above 30 T, which is much larger than that of another in-plane antiferromagnet, Fe 2 ⁢As (less than 1 T). Finally, the subtle anisotropy of intrinsic susceptibilities may lead to dominating effects from shape, crystalline texture, strain, and defects in devices that attempt spin readout in Mn 2⁢ Au.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2011

Development of Monte Carlo Capability for Orion Parachute Simulations

Parachute test programs employ Monte Carlo simulation techniques to plan testing and make critical decisions related to parachute loads, rate-of-descent, or other parameters. This paper describes the development and use of a MATLAB-based Monte Carlo tool for three parachute drop test simulations currently used by NASA. The Decelerator System Simulation (DSS) is a legacy 6 Degree-of-Freedom (DOF) simulation used to predict parachute loads and descent trajectories. The Decelerator System Simulation Application (DSSA) is a 6-DOF simulation that is well suited for modeling aircraft extraction and descent of pallet-like test vehicles. The Drop Test Vehicle Simulation (DTVSim) is a 2-DOF trajectory simulation that is convenient for quick turn-around analysis tasks. These three tools have significantly different software architectures and do not share common input files or output data structures. Separate Monte Carlo tools were initially developed for each simulation. A recently-developed simulation output structure enables the use of the more sophisticated DSSA Monte Carlo tool with any of the core-simulations. The task of configuring the inputs for the nominal simulation is left to the existing tools. Once the nominal simulation is configured, the Monte Carlo tool perturbs the input set according to dispersion rules created by the analyst. These rules define the statistical distribution and parameters to be applied to each simulation input. Individual dispersed parameters are combined to create a dispersed set of simulation inputs. The Monte Carlo tool repeatedly executes the core-simulation with the dispersed inputs and stores the results for analysis. The analyst may define conditions on one or more output parameters at which to collect data slices. The tool provides a versatile interface for reviewing output of large Monte Carlo data sets while preserving the capability for detailed examination of individual dispersed trajectories. The Monte Carlo tool described in this paper has proven useful in planning several Crew Exploration Vehicle parachute tests.

Moore, James W.↗

DOE OSTI2023

Association between soil organic carbon and calcium in acidic grassland soils from Point Reyes National Seashore, CA

Organo-mineral and organo-metal associations play an important role in the retention and accumulation of soil organic carbon (SOC). Recent studies have demonstrated a positive correlation between calcium (Ca) and SOC content in a range of soil types. However, most of these studies have focused on soils that contain calcium carbonate (pH > 6). To assess the importance of Ca-SOC associations in lower pH soils, we investigated their physical and chemical interaction in the grassland soils of Point Reyes National Seashore (CA, USA) at a range of spatial scales. Multivariate analyses of our bulk soil characterisation dataset showed a strong correlation between exchangeable Ca (Ca Exch ; 5–8.3 c.mol c kg –1 ) and SOC (0.6–4%) content. Additionally, linear combination fitting (LCF) of bulk Ca K-edge X-ray absorption near-edge structure (XANES) spectra revealed that Ca was predominantly associated with organic carbon across all samples. Scanning transmission X-ray microscopy near-edge X-ray absorption fine structure spectroscopy (STXM C/Ca NEXAFS) showed that Ca had a strong spatial correlation with C at the microscale. The STXM C NEXAFS K-edge spectra indicated that SOC had a higher abundance of aromatic/olefinic and phenolic C functional groups when associated with Ca, relative to C associated with Fe. In regions of high Ca-C association, the STXM C NEXAFS spectra were similar to the spectrum from lignin, with moderate changes in peak intensities and positions that are consistent with oxidative C transformation. Through this association, Ca thus seems to be preferentially associated with plant-like organic matter that has undergone some oxidative transformation, at depth in acidic grassland soils of California. Our study highlights the importance of Ca-SOC complexation in acidic grassland soils and provides a conceptual model of its contribution to SOC preservation, a research area that has previously been unexplored.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Sulfonamidoboronic Acids as “Cross-Class” Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii

Acinetobacter baumannii is a Gram-negative organism listed as an urgent threat pathogen by the World Health Organization (WHO). Carbapenem-resistant A. baumannii (CRAB), especially, present therapeutic challenges due to complex mechanisms of resistance to β-lactams. One of the most important mechanisms is the production of β-lactamase enzymes capable of hydrolyzing β-lactam antibiotics. Co-expression of multiple classes of β-lactamases is present in CRAB; therefore, the design and synthesis of “cross-class” inhibitors is an important strategy to preserve the efficacy of currently available antibiotics. To identify new, nonclassical β-lactamase inhibitors, we previously identified a sulfonamidomethaneboronic acid CR167 active against Acinetobacter-derived class C β-lactamases (ADC-7). The compound demonstrated affinity for ADC-7 with a K i = 160 nM and proved to be able to decrease MIC values of ceftazidime and cefotaxime in different bacterial strains. Herein, we describe the activity of CR167 against other β-lactamases in A. baumannii: the cefepime-hydrolysing class C extended-spectrum β-lactamase (ESAC) ADC-33 and the carbapenem-hydrolyzing OXA-24/40 (class D). These investigations demonstrate CR167 as a valuable cross-class (C and D) inhibitor, and the paper describes our attempts to further improve its activity. Five chiral analogues of CR167 were rationally designed and synthesized. The structures of OXA-24/40 and ADC-33 in complex with CR167 and select chiral analogues were obtained. The structure activity relationships (SARs) are highlighted, offering insights into the main determinants for cross-class C/D inhibitors and impetus for novel drug design.

60 APPLIED LIFE SCIENCES↗

NASA NTRS2011

Observations of Nitrogen Isotope Fractionation in Prestellar Cores

Isotopically fractionated material is found in many solar system objects, including meteorites and comets [1]. It is considered, in some cases, to trace interstellar material that was incorporated into the solar system without undergoing significant processing, thus preserving the fractionation. In interstellar molecular clouds, ion-molecule chemistry continually cycles nitrogen between the two main reservoirs - Nand N2 - leading to only minor N-15 enrichments [2]. Charnley and Rodgers [3,4] showed that depletion of CO removes oxygen from the gas and weakens this cycle such that significant N-15 fractionation can occur for N2 and other N-bearing species in such cores. Observations are being conducted at millimeter and submillimeter wavelengths employing various facilities in order to both spatially and spectrally, resolve emission from these cores. A preliminary study to obtain the N-14/N-15 ratio in nitriles was conducted at the Arizona Radio Observatory's 12m telescope on Kitt Peak, AZ. Spectra were obtained at high resolution (0.08 km/s) in order to resolve dynamic properties of each source as well as to resolve hyperfine structure present in certain isotopologues. This study included four dark cloud cores, observed to have varying levels of molecular depletion: Ll521E, Ll498, Ll544, and Ll521F. Previous studies of the N-14/N-15 ratio towards Ll544 were obtained with N2H(+) and NH3 yielding ratios of 446 and greater than 700, respectively [5,6]. The discrepancy observed in these two measurements suggests a strong chemical dependence on the fractionation of nitrogen. Ratios (C,N, and D) obtained from isotopologues for a particular molecule are likely tracing the same chemical heritage and are directly comparable within a given source. Results and comparisons between the protostellar evolutionary state and isomer isotope fractionation as well as between other N-bearing species will be presented.

Milam, Stefanie N.↗

NASA NTRS2012

Searching for Organics Preserved in 4.5 Billion Year Old Salt

Our understanding of early solar system fluids took a dramatic turn a decade ago with the discovery of fluid inclusion-bearing halite (NaCl) crystals in the matrix of two freshly fallen brecciated H chondrite falls, Monahans and Zag. Both meteorites are regolith breccias, and contain xenolithic halite (and minor admixed sylvite -- KCl, crystals in their regolith lithologies. The halites are purple to dark blue, due to the presence of color centers (electrons in anion vacancies) which slowly accumulated as 40K (in sylvite) decayed over billions of years. The halites were dated by K-Ar, Rb-Sr and I-Xe systematics to be 4.5 billion years old. The "blue" halites were a fantastic discovery for the following reasons: (1) Halite+sylvite can be dated (K is in sylvite and will substitute for Na in halite, Rb substitutes in halite for Na, and I substitutes for Cl). (2) The blue color is lost if the halite dissolves on Earth and reprecipitates (because the newly-formed halite has no color centers), so the color serves as a "freshness" or pristinity indicator. (3) Halite frequently contains aqueous fluid inclusions. (4) Halite contains no structural oxygen, carbon or hydrogen, making them ideal materials to measure these isotopic systems in any fluid inclusions. (5) It is possible to directly measure fluid inclusion formation temperatures, and thus directly measure the temperature of the mineralizing aqueous fluid. In addition to these two ordinary chondrites halite grains have been reliably reported in several ureilites, an additional ordinary chondrite (Jilin), and in the carbonaceous chondrite (Murchison), although these reports were unfortunately not taken seriously. We have lately found additional fluid inclusions in carbonates in several additional carbonaceous chondrites. Meteoritic aqueous fluid inclusions are apparently relatively widespread in meteorites, though very small and thus difficult to analyze.

Zolensky, Michael E.↗

NASA NTRS2011

Isotope Fractionation Studies in Prestellar Cores: The Case of Nitrogen

Isotopically fractionated material is found in many solar system objects, including meteorites and comets. It is considered, in some cases, to trace interstellar material that was incorporated into the solar system without undergoing significant processing, thus preserving the fractionation. In interstellar molecular clouds, ion-molecule chemistry continually cycles nitrogen between the two main reservoirs - N and N2 - leading to only minor N-15 enrichments. Charnley and Rodgers showed that depletion of CO removes oxygen from the gas and weakens this cycle such that significant N-15 fractionation can occur for N2 and other N-bearing species in such cores. Observations are being conducted at millimeter and submillimeter wavelengths employing various facilities in order to both spatially and spectrally, resolve emission from these cores. A preliminary study to obtain the N-14/N-15 ratio in nitriles (HCN and HNC) was conducted at the Arizona Radio Observatory's 12m telescope on Kitt Peak, AZ. Spectra were obtained at high resolution (0.08 km/s) in order to resolve dynamic properties of each source as well as to resolve hyperfine structure present in certain isotopologues. This study included four dark cloud cores, observed to have varying levels of molecular depletion: L1521E, L1498, L1544, and L1521F. Previous studies of the N-14/N-15 ratio towards LI544 were obtained with N2H+ and NIH3, yielding ratios of 446 and >700, respectively. The discrepancy observed in these two measurements suggests a strong chemical dependence on the fractionation of nitrogen. Ratios (C,N, and D) obtained from isotopologues for a particular molecule are likely tracing the same chemical heritage and are directly comparable within a given source. Results and comparisons between the protostellar evolutionary state and isomer isotope fractionation as well as between other N-bearing species will be presented.

Milam, Stefanie N.↗

DOE OSTI2020

Generalized Grad–Shafranov equation for non-axisymmetric MHD equilibria

The structure of static MHD equilibria that admit continuous families of Euclidean symmetries is well understood. Such field configurations are governed by the classical Grad–Shafranov equation, which is a single elliptic partial differential equation in two space dimensions. By revealing a hidden symmetry, here we show that in fact all smooth solutions of the equilibrium equations with non-vanishing pressure gradients away from the magnetic axis satisfy a generalization of the Grad–Shafranov equation. In contrast to solutions of the classical Grad–Shafranov equation, solutions of the generalized equation are not automatically equilibria, but instead only satisfy force balance averaged over the one-parameter hidden symmetry. We then explain how the generalized Grad–Shafranov equation can be used to reformulate the problem of finding exact three-dimensional smooth solutions of the equilibrium equations as finding an optimal volume-preserving symmetry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

RivGraph: Automatic extraction and analysis of river and delta channel network topology

River networks sustain life and landscapes by carrying and distributing water, sediment, and nutrients throughout ecosystems and communities. At the largest scale, river networks drain continents through tree-like tributary networks. At typically smaller scales, river deltas and braided rivers form loopy, complex distributary river networks via avulsions and bifurcations.In order to model flows through these networks or analyze network structure, the topology, or connectivity, of the network must be resolved. Additionally, morphologic properties of each river channel as well as the direction of flow through the channel inform how fluxes travel through the network’s channels. Riv Graphis a Python package that automates the extraction and characterization of river channel networks from a user-provided binary image, or mask, of a channel network (Fig. 1). Masks may be derived from (typically remotely-sensed) imagery, simulations, or even hand-drawn. RivGraph will create explicit representations of the channel network by resolving river centerlines as links, and junctions as nodes. Flow directions are solved for each link of the network without using auxiliary data, e.g., a digital elevation model (DEM). Morphologic properties are computed as well, including link lengths, widths, sinuosities, branching angles,and braiding indices. If provided,RivGraph will preserve georeferencing information of the mask and will export results as ESRI shapefiles, GeoJSONs, and GeoTIFFs for easy import into GIS software.RivGraph can also return extracted networks as networkx objects for convenient interfacing with the full-featured networkx package (Hagberg et al., 2008). Finally, RivGraph offers a suite of topologic metrics that were specifically designed for river channel network analysis (Tejedor et al., 2015b).

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1994

Distributed parameter modeling of repeated truss structures

A new approach to find homogeneous models for beam-like repeated flexible structures is proposed which conceptually involves two steps. The first step involves the approximation of 3-D non-homogeneous model by a 1-D periodic beam model. The structure is modeled as a 3-D non-homogeneous continuum. The displacement field is approximated by Taylor series expansion. Then, the cross sectional mass and stiffness matrices are obtained by energy equivalence using their additive properties. Due to the repeated nature of the flexible bodies, the mass, and stiffness matrices are also periodic. This procedure is systematic and requires less dynamics detail. The first step involves the homogenization from a 1-D periodic beam model to a 1-D homogeneous beam model. The periodic beam model is homogenized into an equivalent homogeneous beam model using the additive property of compliance along the generic axis. The major departure from previous approaches in literature is using compliance instead of stiffness in homogenization. An obvious justification is that the stiffness is additive at each cross section but not along the generic axis. The homogenized model preserves many properties of the original periodic model.

Wang, Han-Ching↗

NASA NTRS2004

Beagle 2: Mission to Mars - Current Status

Beagle 2 is a 72 kg probe (with a 32 kg lander) developed in the United Kingdom for inclusion on the European Space Agency's 2003 Mars Express. Beagle 2 was launched on June 2, 2003 with Mars Express on a Soyuz-Fregat rocket from the Baikonur Cosmodrome in Kazakhstan. Beagle 2 landed on Mars on December 25th, 2003 in Isidis Planitia (approx. 10.7 N and 268.6 W), a large sedimentary basin that overlies the boundary between ancient highlands and northern plains. Isidis Planitia, the third largest impact basin on Mars, which is possibly filled with sediment deposited at the bottom of long-standing lakes or seas, offers an ideal environment for preserving traces of life. The team is awaiting signals from the Beagle 2 lander at the time when this abstract was written. Current status of the mission will be reported. Beagle 2 was developed to search for organic material and other volatiles on and below the surface of Mars in addition to the study of the inorganic chemistry and mineralogy. Several fundamental properties can be used to determine the existence of an active or past biology on any planet, Earth or Mars. Beagle 2's targets for investigation included: (a) The presence of water, or the existence of minerals deposited from water to show that water was present, even if only transiently; (b) The detection of carbonaceous debris, the remains of organisms that might have lived in water or were washed to a final resting place by the action of water; (c) The structure of organic matter, to demonstrate that it might have been synthesized for a biological purpose; (d) The recognition of isotopic fractionation between carbonaceous phases (organic vs inorganic carbon phases), a condition which on Earth suggests that life emerged nearly 4 billion years ago.

Gibson, E. K., Jr.↗

DOE OSTI2024

Orbital degree of freedom in high entropy oxides

The spin, charge, and lattice degrees of freedom and their interplay in high entropy oxides were intensively investigated in recent years. However, how the orbital degree of freedom is affected by the extreme disorder in high entropy oxides has not been studied. In this work, using perovskite structured RVO 3 as a materials playground, we report how the disorder arising from mixing different rare earth ions at the rare earth site affects the orbital ordering of V 3+ t 2g -electrons. Since each member of RVO 3 (R = rare earth and Y) crystallizes into the same orthorhombic Pbnm structure, the configurational entropy should not be critical for the stability of (R 1,..., Rn)VO 3 . The spin and orbital ordering was studied by measuring magnetic properties and specific heat of single crystals. Rather than the number and type of rare earth ions, the average and variance of ionic radius are the key factors determining the spin and orbital order in (R 1,..., Rn)VO 3 . When the size variance is small, the average ionic radius takes precedence in dictating spin and orbital order. Increasing size variance suppresses the G-type orbital order (G-OO) and C-type antiferromagnetic order (C-AF) but favors the C-OO/G-AF state and spin-orbital entanglement. In conclusion, these findings suggest that the extreme disorder introduced by mixing multiple rare earth ions in high entropy perovskites might be employed to preserve the orbital degree of freedom to near the magnetic order, which is necessary for the electronic driven orbital ordering in a Kugel-Khomskii compound.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1984

Non-Gaussian approach for parametric random vibration of non-linear structures

The dynamic response of a nonlinear, single degree of freedom structural system subjected to a physically white noise parametric excitation is investigated. The Ito stochastic calculus is employed to derive a general differential equation for the moments of the response coordinates. The differential equations of moments of any order are found to be coupled with higher order moments. A non-Gaussian closure scheme is developed to truncate the moment equations up to fourth order. The statistical of the stationary response are computed numerically and compared with analytical solutions predicted by a Gaussian closure scheme and the stochastic averaging method. It is found that the computed results exhibit the jump phenomenon which is typical of the characteristics of deterministic nonlinear systems. In addition, the numerical algorithm leads to multiple solutions all of which give positive mean squares. However, two of these solutions are found to violate the properties of high order moments. One solution preserves the moments properties and demonstrates that the system achieves a stationary response.

Ibrahim, R. A.↗

DOE OSTI2020

A phylogenetically novel cyanobacterium most closely related to Gloeobacter

Clues to the evolutionary steps producing innovations in oxygenic photosynthesis may be preserved in the genomes of organisms phylogenetically placed between non-photosynthetic Vampirovibrionia (formerly Melainabacteria) and the thylakoid-containing Cyanobacteria. However, only two species with published genomes are known to occupy this phylogenetic space, both within the genus Gloeobacter. Here, we describe nearly complete, metagenome-assembled genomes (MAGs) of an uncultured organism phylogenetically placed near Gloeobacter, for which we propose the name Candidatus Aurora vandensis {Au’ro.ra. L. fem. n. aurora, the goddess of the dawn in Roman mythology; van.de’nsis. N.L. fem. adj. vandensis of Lake Vanda, Antarctica}. The MAG of A. vandensis contains homologs of most genes necessary for oxygenic photosynthesis including key reaction center proteins. Many accessory subunits associated with the photosystems in other species either are missing from the MAG or are poorly conserved. The MAG also lacks homologs of genes associated with the pigments phycocyanoerethrin, phycoeretherin and several structural parts of the phycobilisome. Additional characterization of this organism is expected to inform models of the evolution of oxygenic photosynthesis.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Nucleation and growth of blue phase liquid crystals on chemically-patterned surfaces: a surface anchoring assisted blue phase correlation length

In condensed matter, the correlation length is an essential parameter which describes the distance over which a material maintains its structural properties. In liquid crystals, for the orientational order parameter this characteristic length is of the order of nanometers, while in solid crystals it can extend to macroscopic length scales. Here, we report the measurement of the correlation length, or persistence length, of the crystallographic orientation of blue phases (BPs)—chiral liquid crystals with long-range 3D-crystalline structures and submicron-sized lattice-parameters. These materials exhibit phase transformations that have been identified as the liquid analog of crystal-crystal martensitic transformations. In this work, we use liquid epitaxial growth to achieve spontaneous BP-crystal nucleation and subsequent growth. Specifically, we design patterned substrates made of a binary array of regions with different liquid crystal anchoring, which facilitate a uniform nucleation and growth of BP-crystals with (100)-lattice orientation and a simple cubic symmetry. Furthermore, our results indicate that this simple cubic BP, the so-called blue phase II (BPII), forms first on the patterned surface, thereby propagating the growth of domains in directions parallel or perpendicular to the patterned regions. These results are used to understand the emergence of a surface anchoring assisted BPII-correlation length, taken as the distance over which the BP preserves its lattice orientation, as a function of time and pattern characteristics. We found that BPII single crystals can be achieved on patterned regions whose lateral dimensions are equal to or larger than 10 μm, consistent with our measurements of the BPII-correlation length. This newly acquired understanding of the role of surfaces on the formation of BPs is then used to design processes that permit formation of macroscopically large mono-domain, single-crystal BPs by relying on significantly reduced patterned areas (only part of the area is patterned), a feature that could benefit the applications of this intriguing class of materials.

correlation length↗

DOE OSTI2023

TROPHY: A Topologically Robust Physics-Informed Tracking Framework for Tropical Cyclones

Tropical cyclones (TCs) are among the most destructive weather systems. Realistically and efficiently detecting and tracking TCs are critical for assessing their impacts and risks. In particular, the eye is a signature feature of a mature TC. Therefore, knowing the eyes’ locations and movements is crucial for both operational weather forecasts and climate risk assessments. Recently, a multilevel robustness framework has been introduced to study the critical points of time-varying vector fields. The framework quantifies the robustness (i.e., structural stability) of critical points across varying neighborhoods. By relating the multilevel robustness with critical point tracking, the framework has demonstrated its potential in cyclone tracking. An advantage is that it identifies cyclonic features using only 2D wind vector fields, which is encouraging as most tracking algorithms require multiple dynamic and thermodynamic variables at different altitudes. A disadvantage is that the framework does not scale well computationally for datasets containing a large number of cyclones. Herein this paper introduces a topologically robust physics-informed tracking framework (TROPHY) for TC tracking. The main idea is to integrate physical knowledge of TC to drastically improve the computational efficiency of multilevel robustness framework for large-scale climate datasets. First, during preprocessing, we propose a physics-informed feature selection strategy to filter 90% of critical points that are short-lived and have low stability, thus preserving good candidates for TC tracking. Second, during in-processing, we impose constraints during the multilevel robustness computation to focus only on physics-informed neighborhoods of TCs. We apply TROPHY to 30 years of 2D wind fields from reanalysis data in ERA5 and generate a number of TC tracks. In comparison with the observed tracks, we demonstrate that TROPHY can capture TC characteristics (e.g., frequency, intensity, duration, latitudes with maximum intensity, and genesis) that are comparable to and sometimes even better than a well-validated TC tracking algorithm that requires multiple dynamic and thermodynamic scalar fields.

97 MATHEMATICS AND COMPUTING↗