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At least 1,387 records · Page 77

Confinement-controlled selective CO 2 insertion into a dicopper dihydride core: A multiscale mechanistic study

CO 2 is an abundant C 1 feedstock for fuel and chemical synthesis. We have previously demonstrated experimentally a stepwise insertion of CO 2 into a [Cu 2 H 2 ] core via a solid–gas in crystallo reaction, forming formate species that are unstable and inaccessible under solution-phase conditions. This work elucidates how structural confinement within the crystal lattice enables such selective reactivity. In particular, co-crystallized tetrahydrofuran molecules induce site asymmetry around the [Cu 2 H 2 ] unit, modulating both the local electronic environment and CO 2 diffusion pathways. Using a multiscale computational approach that combines classical molecular mechanics, hybrid quantum mechanics/molecular mechanics molecular dynamics, and enhanced-sampling free energy calculations, we demonstrate how site asymmetry affects CO 2 binding affinities and reaction pathways. These results provide detailed mechanistic insight into CO 2 insertion and hydride transfer, highlighting key differences between crystal- and solution-phase pathways and offering a general framework for understanding how lattice confinement shapes chemical reactivity.

Chemical bonding↗

Update on the Development of a Flutter Analysis Capability for Unconventional Aircraft Concepts Using HCDstruct

Following years of development, the Higher-fidelity Conceptual Design and structural optimization (HCDstruct) tool is being extended to support dynamic aeroservoelastic analysis and structural optimization for advanced aircraft concepts. These required enhancements include: the development of an aerodynamic matching routine for correcting Nastran’s doublet-lattice method aerodynamics; the implementation of control surface structural models; and the implementation of support for Nastran’s flutter solution sequence (SOL 145). This paper presents an update on the implementation of generalized control surface structural models and support for Nastran SOL 145.

Quinlan, Jesse R.↗

Tailoring grain growth and solid solution strengthening of single-phase CrCoNi medium-entropy alloys by solute selection

In the present study, we selected solutes to be added to the CrCoNi medium-entropy alloy (MEA) based on the mismatch of self-diffusion activation energy (SDQ) between the alloying elements and constituent elements of the matrix, and then investigated their grain growth behavior and mechanical properties. Mo and Al were selected as the solutes for investigation primarily because they have higher and lower SDQ, respectively, than those of the matrix elements; a secondary factor was their higher and lower shear modulus. Their concentrations were fixed at 3 at.% each because previous work had shown these compositions to be single-phase solid solutions with the face-centered cubic structure. Three alloys were produced by arc melting, casting, homogenizing, cold rolling and annealing at various temperatures and times to produce samples with different grain sizes. They were (a) the base alloy CrCoNi, (b) the base alloy plus 3 at.% Mo, and (c) the base alloy plus 3 at.% Al. The activation energies for grain growth of the CrCoNi, CrCoNi-3Mo and CrCoNi-3Al MEAs were found to be ~251, ~368 and ~219 kJ/mol, respectively, consistent with the notion that elements with higher SDQ (in this study Mo) retard grain growth (likely by a solute-drag effect), whereas those with lower values (Al) accelerate grain growth. The room-temperature tensile properties show that Mo increases the yield strength by ~40% but Al addition has a smaller strengthening effect consistent with their relative shear moduli. The yield strength as a function of grain size for the three singlephase MEAs follows the classical Hall-Petch relationship with much higher slopes (> 600 MPa μm -0.5 ) than traditional solid solutions. Furthermore, this work shows that the grain growth kinetics and solid solution strengthening of the CrCoNi MEA can be tuned by selecting solute elements that have appropriate diffusion and physical properties.

36 MATERIALS SCIENCE↗

Structural Analysis of Test Flight Vehicles for Application of Multifunctional Energy Storage System

Under the NASA Aeronautics Research Mission Directorate (ARMD) Convergent Aeronautical Solutions (CAS) project, NASA Glenn Research Center has been leading Multifunctional Structures for High Energy Lightweight Load-bearing Storage (M-SHELLS) research efforts. The technology of integrating load-carrying structures with electrical energy storage capacity has the potential to reduce the overall weight of future electric aircraft. The proposed project goals were to develop M-SHELLS in the form of honeycomb coupons and subcomponents, integrate them into the structure, and conduct low-risk flight-tests onboard a remotely piloted small aircraft. Experimental M-SHELLS energy-storing coupons were fabricated and tested in the laboratory for their electrical and mechanical properties. In this report, finite element model development and structural analyses of two small test aircraft candidates are presented. The finite element analysis of the initial two-spar wing is described for strain, deflection, and weight estimation. After a test aircraft Tempest was acquired, a load-deflection test of the wing was conducted. A finite element model of the Tempest was then developed based on the test aircraft dimensions and construction detail. The component weight analyses from the finite element model and test measurements were correlated. Structural analysis results with multifunctional energy storage panels in the fuselage of the test vehicle are presented. Although the flight test was cancelled because of programmatic reasons and time constraints, the structural analysis results indicate that the mid-fuselage floor composite panel could provide structural integrity with minimal weight penalty while supplying electrical energy. To explore potential future applications of the multifunctional structure, analyses of the NASA X-57 Maxwell electric aircraft and a NASA N+3 Technology Conventional Configuration (N3CC) fuselage are presented. Secondary aluminum structures in the fuselage sub-floor and cargo area were partially replaced with reinforced five-layer composite panels with M-SHELLS honeycomb core. The N3CC fuselage weight reduction associated with each design without risking structural integrity are described. The structural analysis and weight estimation with the application of composite M-SHELLS panels to the N3CC fuselage indicate a 3.2% reduction in the fuselage structural weight, prior to accounting for the additional weight of core material required to complete the energy storage functionality.

Mukhopadhyay, Vivek↗

Structural and thermodynamic evolution of an amorphous SiOC ceramic after swift heavy ion irradiation

Radiation induced structural and energetic changes have been widely studied in crystalline materials, but studied to a much lesser extent in amorphous solids. Using a combination of neutron pair distribution function (PDF) analysis and high temperature oxide melt solution calorimetry, we obtained critical insights into the structural and energetic evolution in a swift heavy ion irradiated amorphous SiOC polymer-derived ceramic. The radiation modified SiOC structure becomes energetically less stable by 24.0±1.6 kJ/mol compared to the unirradiated structure. This destabilization is related to decreased connectivity of the Si-O-C network and destruction of free carbon. In comparison with unirradiated SiOC, the irradiated structure is more likely to become phase separated during subsequent thermal annealing. Here, our study has important implications for evaluating amorphous SiOC ceramic as a possible radiation resistant structure for nuclear applications.

36 MATERIALS SCIENCE↗

Unraveling local structures of Salt-in-Water and Water-in-Salt electrolytes via ab initio molecular dynamics

Water-in-salt electrolytes (WiSE) are attractive for electrochemical energy storage applications owing to their wide electrochemical stability windows and inherent safety. The high concentration of salts is widely known to suppress the decomposition of water, which otherwise limits the stability of conventional aqueous salt-in-water electrolytes (SiWE). Nevertheless, the microstructural features of WiSE that lead to this enhanced stability have not yet been fully elucidated. In this work, ab initio molecular dynamics simulations were performed to study the energetic, structural, and spectroscopic properties of LiTFSI SiWE and WiSE solutions. A detailed mapping of water-water and water-anion hydrogen bonding and cation–anion electrostatic interactions is reported for both electrolytes. Structural features are presented in terms of both radial and spatial distribution functions. Analysis of IR and vibrational power spectra reveal key differences in the intermolecular interactions in SiWE and WiSE that arise from modified solvation shell structures. Finally, the results obtained herein reveal the most important structural and spectroscopic differences between the electrolytes in normal and superconcentrated concentrations.

36 MATERIALS SCIENCE↗

Characteristics of the boundary-layer equations of the minimum time-to-climb problem

In many singular perturbation solutions of optimal control problems, the most difficult numerical task is to solve the boundary-layer equations. However, these equations have a special structure that may often be used to expedite their solution. This paper begins by noting the general nature of the boundary-layer equations for optimal control problems. These results are then applied to the aircraft minimum time-to-climb problem. A specific numerical example is considered to illustrate the characteristics of the solution of the boundary-layer equations for this problem.

Ardema, M. D.↗

Multivariable frequency domain identification via 2-norm minimization

The author develops a computational approach to multivariable frequency domain identification, based on 2-norm minimization. In particular, a Gauss-Newton (GN) iteration is developed to minimize the 2-norm of the error between frequency domain data and a matrix fraction transfer function estimate. To improve the global performance of the optimization algorithm, the GN iteration is initialized using the solution to a particular sequentially reweighted least squares problem, denoted as the SK iteration. The least squares problems which arise from both the SK and GN iterations are shown to involve sparse matrices with identical block structure. A sparse matrix QR factorization method is developed to exploit the special block structure, and to efficiently compute the least squares solution. A numerical example involving the identification of a multiple-input multiple-output (MIMO) plant having 286 unknown parameters is given to illustrate the effectiveness of the algorithm.

Bayard, David S.↗

NbTaV_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution ternary alloys niobium-tantalum-vanadium (Nb-Ta-V). The first-principle code that has been used to run the calculations is the closed-source Vienna Ab-Initio Simulation Package (VASP). The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 8. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 10,500 randomized atomic structures over 105 chemical compositions. The calculations have been collected on NERSC-Perlmutter using the VASP 6.3.2. The VASP calculations for every atomic structure have been performed in 2 main steps: 1. Starting from an ideal body-centered-cubic (BCC) structure, geometry optimization with low precision has been executed to perform a preliminary optimization of the atomic structure. The output for this calculations is available in the files 0.CONTCAR, 0.OUTCAR, rlx1.out. 2. Using the atomic structure resulting from the preliminary geometry optimization, a second geometry optimization has been performed using normal precision. The output for this calculations is available in the files CONTCAR, OUTCAR, rlx2.out, vaspout.h5, and vasprun.xml. Every chemical composition sampled across the composition range in the dataset has its own directory. The convention used to name the directories for ternary alloys is AXBYCZ, where A, B, and C refer to the constituents, and X, Y, and Z are positive integers that represent the number of atoms for each constituent and their values still sum up to 128. Each atomic structure associated with a specific chemical composition has its own sub-directory within the directory of the corresponding chemical composition. The sub-directories for each atomic structure for each chemical composition are named 'case-*', where * is a positive integer that spans all the values from 1 through 100, extremes included. The files contained in each sub-directory 'case-*' for each atomic structure are as follows: 1. INCAR: input file that contains various parameters and settings for controlling the behavior of the electronic structure calculations 2. 0.POSCAR: input file that defines the atomic structure of a system 3. 0.CONTCAR: output file that provides the atomic positions and cell parameters after the first geometry optimization has been run with the precision variable set to PREC=Low in the INCAR file 4. 0.OUTCAR: output file that contains detailed information about the progress of a calculation after the first geometry optimization has been run with the precision variable set to PREC=Low in the INCAR file 5. rlx1.out: file with diagnostic information about the execution of the first geometry optimization with precision variable set to PREC=Low in the INCAR file 6. POSCAR: input file that defines the atomic structure of a system after the first geometry optimization has been run at low precision. This represents the input for the second geometry optimization run with the precision variable set to PREC=Normal in the INCAR file 7. CONTCAR: output file that provides the atomic positions and cell parameters after the second geometry optimization has been run with the precision variable set to PREC=Normal in the INCAR file 8. OUTCARL: output file that contains detailed information about the progress of a calculation after the second geometry optimization has been run with the precision variable set to PREC=Normal in the INCAR file 9. rlx2.out: file with diagnostic information about the execution of the second geometry optimization with precision variable set to PREC=Normal in the INCAR file 10. vaspout.h5: hierarchical HDF5 file containing the inputs and outputs of a VASP calculation. To analyze the data in this file we recommend using py4vasp. This file is only produced if the VASP version used is compiled with HDF5 support 11. vasprun.xml: contains similar information to OUTCAR, but in an xml format. This research is sponsored by the Artificial Intelligence Initiative as part of the Laboratory Directed Research and Development (LDRD) Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the US Department of Energy under contract DE-AC05-00OR22725. This work used resources of the Oak Ridge Leadership Computing Facility, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725, under Directorate Discretionary awards MAT025 (Materials Science) and LRN026 (Machine Learning), and INCITE award MAT201. This work also used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, under award ERCAP0025216.

36 MATERIALS SCIENCE↗

A Finite Element Procedure for Calculating Fluid-Structure Interaction Using MSC/NASTRAN

This report is intended to serve two purposes. The first is to present a survey of the theoretical background of the dynamic interaction between a non-viscid, compressible fluid and an elastic structure is presented. Section one presents a short survey of the application of the finite element method (FEM) to the area of fluid-structure-interaction (FSI). Section two describes the mathematical foundation of the structure and fluid with special emphasis on the fluid. The main steps in establishing the finite element (FE) equations for the fluid structure coupling are discussed in section three. The second purpose is to demonstrate the application of MSC/NASTRAN to the solution of FSI problems. Some specific topics, such as fluid structure analogy, acoustic absorption, and acoustic contribution analysis are described in section four. Section five deals with the organization of the acoustic procedure flowchart. Section six includes the most important information that a user needs for applying the acoustic procedure to practical FSI problems. Beginning with some rules concerning the FE modeling of the coupled system, the NASTRAN USER DECKs for the different steps are described. The goal of section seven is to demonstrate the use of the acoustic procedure with some examples. This demonstration includes an analytic verification of selected FE results. The analytical description considers only some aspects of FSI and is not intended to be mathematically complete. Finally, section 8 presents an application of the acoustic procedure to vehicle interior acoustic analysis with selected results.

Chargin, Mladen↗

Shape optimization and CAD

Structural optimization has attracted the attention since the days of Galileo. Olhoff and Taylor have produced an excellent overview of the classical research within this field. However, the interest in structural optimization has increased greatly during the last decade due to the advent of reliable general numerical analysis methods and the computer power necessary to use them efficiently. This has created the possibility of developing general numerical systems for shape optimization. Several authors, eg., Esping; Braibant & Fleury; Bennet & Botkin; Botkin, Yang, and Bennet; and Stanton have published practical and successful applications of general optimization systems. Ding and Homlein have produced extensive overviews of available systems. Furthermore, a number of commercial optimization systems based on well-established finite element codes have been introduced. Systems like ANSYS, IDEAS, OASIS, and NISAOPT are widely known examples. In parallel to this development, the technology of computer aided design (CAD) has gained a large influence on the design process of mechanical engineering. The CAD technology has already lived through a rapid development driven by the drastically growing capabilities of digital computers. However, the systems of today are still considered as being only the first generation of a long row of computer integrated manufacturing (CIM) systems. These systems to come will offer an integrated environment for design, analysis, and fabrication of products of almost any character. Thus, the CAD system could be regarded as simply a database for geometrical information equipped with a number of tools with the purpose of helping the user in the design process. Among these tools are facilities for structural analysis and optimization as well as present standard CAD features like drawing, modeling, and visualization tools. The state of the art of structural optimization is that a large amount of mathematical and mechanical techniques are available for the solution of single problems. By implementing collections of the available techniques into general software systems, operational environments for structural optimization have been created. The forthcoming years must bring solutions to the problem of integrating such systems into more general design environments. The result of this work should be CAD systems for rational design in which structural optimization is one important design tool among many others.

Rasmussen, John↗

Faster Johnson–Lindenstrauss transforms via Kronecker products

The Kronecker product is an important matrix operation with a wide range of applications in signal processing, graph theory, quantum computing and deep learning. In this work, we introduce a generalization of the fast Johnson–Lindenstrauss projection for embedding vectors with Kronecker product structure, the Kronecker fast Johnson–Lindenstrauss transform (KFJLT). The KFJLT reduces the embedding cost by an exponential factor of the standard fast Johnson–Lindenstrauss transform’s cost when applied to vectors with Kronecker structure, by avoiding explicitly forming the full Kronecker products. Here, we prove that this computational gain comes with only a small price in embedding power: consider a finite set of $p$ points in a tensor product of $d$ constituent Euclidean spaces $\bigotimes _{k=d}^{1}{\mathbb{R}}^{n_k}$, and let $N = \prod _{k=1}^{d}n_k$. With high probability, a random KFJLT matrix of dimension $m \times N$ embeds the set of points up to multiplicative distortion $(1\pm \varepsilon )$ provided $m \gtrsim \varepsilon ^{-2} \, \log ^{2d - 1} (p) \, \log N$. We conclude by describing a direct application of the KFJLT to the efficient solution of large-scale Kronecker-structured least squares problems for fitting the CP tensor decomposition.

Kronecker structure↗

Cytochrome Nanowire XRD

Microbial metabolism plays an important role in the global cycling of carbon, nutrients, and metals. Recent discovery of microorganisms sharing energy using direct electrical connections might represent a prominent strategy by which anaerobic microorganisms interact with the diversity of environments. The purpose of the proposed research is to apply these newly developed principles of electron exchange in microbial communities to the study of biogeochemical cycling in climate and subsurface systems. Previous studies revealed that soil bacteria Geobacter sulfurreducens produce conductive pili nanofilaments that facilitate long-range electron transport to extracellular electron acceptors and other cells. This discovery has already transformed our understanding of the function of microbial communities in diverse environments, making basic contributions to microbial ecology and helping to improve practical applications such as increasing current output of microbial fuel cells and enhancing the conversion of organic waste to methane. Microbial electron exchange via pili may also contribute to methane production in terrestrial environments that are major sources of atmospheric methane. However, the mechanism of electron transport through pili is not well understood. Initial studies have suggested that pili exhibit metallic-like conductivity similar to conducting polymer polyaniline. However, these studies were limited to electrical measurements. X-ray diffraction studies have suggested that aromatic amino acids tyrosine and phenylalanine are closely packed in pili. But these studies used homology modeling to predict the pilus assembly and information about the number of monomers in each pilus assembly unit and their organization are still lacking. The central hypothesis of this proposal is aromatics in pili enable intermolecular electron delocalization due to pi-stacking that can give rise to metallic-like conductivity. By analyzing pili structure using infrared scattering-scanning near field optical microscope (IR s-SNOM) and combining with solution NMR, Focused Ion Beam (FIB and computational capabilities, this work will provide comprehensive understanding of the conduction mechanism from a structure-function perspective. The specific aims are: 1) With infrared scattering scanning near field optical microscope (IR s-SNOM), image the organization and density of pilin monomers and pH-induced conformational changes in a pilus filament. 2) With solution NMR, resolve pH-induced structural changes in the pilin monomer. 3) Using Focused Ion Beam (FIB), draw electrodes on single pili to measure their conductivity. 4) With computational modeling using the NWChem, simulate the effect of environment on the electronic properties of pili as a function of pH. The proposed work will gain the nanoscale insight into the structure of the pili, as the basis for understanding interspecies electrical communications. The improved understanding will be harnessed to accelerate bioenergy production and bioremediation using pili as well as for predictive modeling of carbon cycling in diverse environments to reach the central goals of DOE-BER to develop sustainable energy sources, regulate the contaminants in the subsurface and understand the effects of greenhouse gas emissions on biosphere. The proposed studies will provide design principles for engineering of electrical interactions among these communities by manipulating the amino acid composition of pili. Moreover, these studies will identify the forces that maintain the function of these communities in the face of environmental perturbation. Therefore, these studies will help to address the need "to incorporate process understanding of biogeochemical cycling into a scalable hierarchy of predictive capabilities" specified in EMSL's Science Themes.

59 BASIC BIOLOGICAL SCIENCES↗

Benders Decomposition Using Graph Modeling and Multi-Parametric Programming

Benders decomposition is a widely used method for solving large and structured optimization problems, but its performance is affected by the repeated solution of subproblems. We propose a flexible and modular algorithmic framework for accelerating Benders decomposition. Specifically, we express the problem structure by using a graph-theoretic modeling abstraction in which nodes represent optimization subproblems and edges represent connectivity between subproblems. A key innovation of our approach is that we embed multiparametric programming (mp) surrogates for node subproblems, which maps the exact analytical map of the subproblem solution space. The use of mp surrogates allows us to replace subproblem solves with fast look-ups and function evaluations for primal and dual variables during the iterative Benders process. We formally show the equivalence between classical Benders cuts and those derived from the mp solution. We implement our framework in the open-source PlasmoBenders.jl software package. To demonstrate the capabilities of the proposed framework, we apply it to a two-stage stochastic programming problem, which aims to make optimal capacity expansion decisions under market uncertainty. We evaluate both single-cut and multicut variants of Benders decomposition and show that the use of mp surrogates achieves substantial speedups in subproblem solve time, while preserving the convergence guarantees of Benders decomposition. We highlight advantages in solution analysis and interpretability that is enabled by mp critical region tracking; specifically, we show that these reveal how decisions evolve geometrically across the Benders search. Our results aim to demonstrate that combining surrogate modeling with graph modeling offers a promising and extensible foundation for structure-exploiting decomposition. In addition, by decomposing the problem into more tractable subproblems, the proposed approach also aims to overcome scalability issues of mp. Finally, the use of mp surrogates provides a unifying and modular optimization framework that enables the representation of heterogeneous node subproblems as modeling objects with a homogeneous structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

OGLE-2018-BLG-1011Lb,c: Microlensing Planetary System with Two Giant Planets Orbiting a Low-mass Star

We report a multiplanetary system found from the analysis of microlensing event OGLE-2018-BLG-1011, for which the light curve exhibits a double-bump anomaly around the peak. We find that the anomaly cannot be fully explained by the binary-lens or binary-source interpretations and its description requires the introduction of an additional lens component. The 3L1S (three lens components and a single source) modeling yields three sets of solutions, in which one set of solutions indicates that the lens is a planetary system in a binary, while the other two sets imply that the lens is a multiplanetary system. By investigating the fits of the individual models to the detailed light curve structure, we find that the multiple-planet solution with planet-to-host mass ratios ∼9.5 X 10(exp −3) and ∼15 X 10(eap −3) are favored over the other solutions. From the Bayesian analysis, we find that the lens is composed of two planets with masses 1.8 (sup +3.4, sub -1.1) M(J) and 2.8 (sup +5.8, sub -1.7) M(J) around a host with a mass 0.18 (sup +0.33,sub - 0.10) M(ʘ) and located at a distance 7.1(sup +1.1, sub -1.5) kpc. The estimated distance indicates that the lens is the farthest system among the known multiplanetary systems. The projected planet–host separations are a(⊥,2) = 1.8 (sup +2.1, sub -1.5)au (0.8 (sup +0.9,sub -0.6 au) and a(⊥,3) = 0.8 (sup +0.9, sub -0.6)au , where the values of a(⊥,2) inside and outside the parenthesis are the separations corresponding to the two degenerate solutions, indicating that both planets are located beyond the snow line of the host, as with the other four multiplanetary systems previously found by microlensing.

Cheongho Han↗

Static stability of the Space Station solar array FASTMast structure

The combined loads test of the 3-Bay FASTMast marks the end of the Lewis Research Center (LeRC) effort to characterize the behavior of the principal Space Station solar array support structure. The primary objective of this test and analysis effort was to develop a method to predict structural stability failure modes under flight-like applied loads. Included at the beginning of this report is a brief historical perspective of the hardware design development and FASTMast structural stability problem evolution. Once an understanding of the solution process has been established, test and analysis details are presented and related to the postulated failure theories. The combined load test series subjected the structure to a combination of transverse, moment, and torsion loads similar to that expected in the service environment. Nonlinear finite element (FE) models were developed and large displacement analyses were performed to support the test effort and failure mode predictions. Details of the test configuration as well as test and analysis results are presented. The results were then critiqued to establish valid and successful support of the failure mode assessments. Finally, study conclusions are drawn and recommendations for safe operation of the FASTMast structure are presented for consideration.

Shaker, John F.↗

The nature of the sunspot phenomenon. I - Solutions of the heat transport equation

It is pointed out that sunspots represent a disruption in the uniform flow of heat through the convective zone. The basic sunspot structure is, therefore, determined by the energy transport equation. The solutions of this equation for the case of stochastic heat transport are examined. It is concluded that a sunspot is basically a region of enhanced, rather than inhibited, energy transport and emissivity. The heat flow equations are discussed and attention is given to the shallow depth of the sunspot phenomenon. The sunspot is seen as a heat engine of high efficiency which converts most of the heat flux into hydromagnetic waves.

Parker, E. N.↗

Suppression of the valence transition in solution-grown single crystals of Eu 2 Pt 6 Al 15

Here, the study of Eu intermetallic compounds has allowed the exploration of valence fluctuations and transitions in 4⁢𝑓 electron systems. Recently, a Eu 2 ⁢Pt 6 ⁢Al 15 phase synthesized by arc-melting followed by a thermal treatment was reported M. Radzieowski et al. [J. Am. Chem. Soc. 140, 8950 (2018)], which undergoes a transition upon cooling below 45 K that was interpreted as a valence transition from Eu 2+ to Eu 3+ . In this paper, we present the discovery of another polymorph of Eu 2 ⁢Pt 6 ⁢Al 15 obtained by high temperature solution growth, which presents different physical properties than the arc-melted polycrystalline sample. Despite the similarities in crystal structure and chemical composition, the Eu valence transition is almost fully suppressed in the solution-grown crystals, allowing the moments associated with the Eu 2+ state to order antiferromagnetically at around 14 K. A detailed analysis of the crystal structure using single crystal x-ray diffraction reveals that, although the solution grown crystals are built from the same constituent layers as the arc-melted samples, these layers present a different stacking. The effect of different thermal treatments is also studied. Different anneal procedures did not result in significant changes in the intrinsic properties, and only by arc-melting and quenching the crystals we were able to convert them into the previously reported polymorph.

Schmidt, Juan [Ames Laboratory, and Iowa State Uni↗