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At least 991 records · Page 55

Structural and magnetic properties of ion beam sputtered Co{sub 2}FeAl full Heusler alloy thin films

Co{sub 2}FeAl full Heusler alloy thin films grown at different temperatures on Si(100) substrates using ion beam sputtering system have been investigated. X-ray diffraction (XRD) patterns revealed the A2 disordered phase in these films. The deduced lattice parameter slightly increases with increase in the growth temperature. The saturation magnetization it is found to increase with increase in growth temperature. The magnetic anisotropy has been studied using angle dependent magneto-optical Kerr effect. In the room temperature deposited film, the combination of cubic and uniaxial anisotropy have been observed with weak in-plane uniaxial anisotropy which increases with growth temperature. The uniaxial anisotropy is attributed to the anisotropic interfacial bonding in these Co{sub 2}FeAl /Si(100) heterostructures.

36 MATERIALS SCIENCE↗

Surface Fermi contours and phonon anomalies at the surface of the random alloy

Abstract The impact of compositional disorder on physical properties is a subject of prime focus in many materials systems. In this paper, we report photoemission measurements of Mo 1− x Re x (110)-(1 × 1)H alloy surfaces to probe the relationship between the surface Fermi contours and giant Kohn anomalies observed in the surface phonon dispersion relations. Our measured nesting vectors precisely predict the composition dependence of the anomalous wave vectors.

Okada, Michio (ORCID:0000000276894288)↗

Long-time molecular dynamics simulations on massively parallel platforms: A comparison of parallel replica dynamics and parallel trajectory splicing

Molecular dynamics (MD) is one of the most widely used techniques in computational materials science. By providing fully resolved trajectories, it allows for a natural description of static, thermodynamic, and kinetic properties. A major hurdle that has hampered the use of MD is the fact that the timescales that can be directly simulated are very limited, even when using massively parallel computers. We compare two time-parallelization approaches, parallel replica dynamics (ParRep) and parallel trajectory splicing (ParSplice), that were specifically designed to address this issue for rare event systems by leveraging parallel computing resources. Using simulations of the relaxation of small disordered platinum nanoparticles, a comparative performance analysis of the two methods is presented. Finally, the results show that ParSplice can significantly outperform ParRep in the common case where the trajectory remains trapped for a long time within a region of configuration space but makes rapid structural transitions within this region.

36 MATERIALS SCIENCE↗

Medically related activities of application team program

Application team methodology identifies and specifies problems in technology transfer programs to biomedical areas through direct contact with users of aerospace technology. The availability of reengineering sources increases impact of the program on the medical community and results in broad scale application of some bioinstrumentation systems. Examples are given that include devices adapted to the rehabilitation of neuromuscular disorders, power sources for artificial organs, and automated monitoring and detection equipment in clinical medicine.

Source record↗

Biotelemetry and computer analysis of sleep processes on earth and in space.

Developments in biomedical engineering now permit study of states of sleep, wakefulness, and focused attention in man exposed to rigorous environments, including aerospace flight. These new sensing devices, data acquisition systems, and computational methods have also been extensively applied to clinical problems of disordered sleep. A 'library' of EEG data has been prepared for sleep in normal man, and characterized for its group features by computational analysis. Sleep in an astronaut in space flight has been examined for the first and second 'nights' of space flight. Normal 90-min cycles were detected during the second night. Sleep patterns in quadriplegic patients deprived of all sensory inputs below the neck have indicated major deviations.

Adey, W. R.↗

Optical, spin-resonance, and magnetoresistance studies of /tetrathiatetracene/2/iodide/3 - The nature of the ground state

A recent investigation in which Isett and Perez-Albuerne (1977) found that (tetrathiatetracene)2(iodine)3 is a stable organic metal down to 3.3 K is of considerable interest. In view of the diversity of suggestions made regarding this compound, measurements, were made of its electrical, magnetic, and optical properties. The results obtained indicate a metallic state at high temperatures, but also support a nonmetallic state at temperatures below 30 K. At 20-30 K, a metal-to-insulator phase transition occurs. This is indicated by the onset of a large and positive magnetoresistance, the leveling off in the temperature dependence of the ESR linewidth, and by recent derivative analysis of the electrical conductivity in this region. The investigated compound represents an interesting one-dimensional electronic system in which it may be possible to study the combined effects of disorder and interchain coupling on charge transport processes.

Somoano, R. B.↗

Space Radiation

Astronauts receive the highest occupational radiation exposure. Effective protections are needed to ensure the safety of astronauts on long duration space missions. Increased cancer morbidity or mortality risk in astronauts may be caused by occupational radiation exposure. Acute and late radiation damage to the central nervous system (CNS) may lead to changes in motor function and behavior, or neurological disorders. Radiation exposure may result in degenerative tissue diseases (non-cancer or non-CNS) such as cardiac, circulatory, or digestive diseases, as well as cataracts. Acute radiation syndromes may occur due to occupational radiation exposure.

Wu, Honglu↗

Sex Differences in Vagus Nerve Stimulation Effects on Rat Cardiovascular and Immune Systems

Background: Investigations into the benefits of vagus nerve stimulation (VNS) through pre-clinical and clinical research have led to promising findings for treating several disorders. Despite proven effectiveness of VNS on conditions such as epilepsy and depression, understanding of off-target effects and contributing factors such as sex differences can be beneficial to optimize therapy design. New Methods: In this article, we assessed longitudinal effects of VNS on cardiovascular and immune systems, and studied potential sex differences using a rat model of longterm VNS. Rats were implanted with cuff electrodes around the left cervical vagus nerve for VNS, and wireless physiological monitoring devices for continuous monitoring of cardiovascular system using electrocardiogram (ECG) signals. ECG morphology and heart rate variability (HRV) features were extracted to assess cardiovascular changes resulting from VNS in short-term and long-term timescales. We also assessed VNS effects on expression of inflammatory cytokines in blood during the course of the experiment. Statistical analysis was performed to compare results between Treatment and Sham groups, and between male and female animals from Treatment and Sham groups. Results: Considerable differences between male and female rats in cardiovascular effects of VNS were observed in multiple cardiovascular features. However, the effects seemed to be transient with approximately 1-h recovery after VNS. While short-term cardiovascular effects were mainly observed in male rats, females in general showed more significant long-term effects even after VNS stopped. We did not observe notable changes or sex differences in systemic cytokine levels resulting from VNS. Comparison With Existing Methods: Compared to existing methods, our study design incorporated wireless physiological monitoring and systemic blood cytokine level analysis, along with long-term VNS experiments in unanesthetized rats to study sex differences. Conclusion: The contribution of sex differences for long-term VNS off-target effects on cardiovascular and immune systems was assessed using awake behaving rats. Although VNS did not change the concentration of inflammatory biomarkers in systemic circulation for male and female rats, we observed significant differences in cardiovascular effects of VNS characterized using ECG morphology and HRV analyses.

59 BASIC BIOLOGICAL SCIENCES↗

Extending tetrahedral network similarity to carbon: A type-I carbon clathrate stabilized by boron

Clathrates are guest/host framework compounds composed of polyhedral cages, yet despite their prevalence among tetrahedral network formers, clathrates with a carbon host lattice remain unrealized synthetic targets. Here, we report a type-I carbon-based framework—a ubiquitous clathrate structure type found throughout compounds containing tetrahedral building blocks. Following a boron-stabilization scheme based on first-principles predictions in the Ca–B–C system at high pressure, type-I Ca 8 B x C 46−x (x ≈ 9) was synthesized in the archetypal $Pm\bar{3}n$ lattice with stability derived from substitutionally disordered boron atoms on hexagonal ring framework positions. The synthesized clathrate, which is recoverable to ambient conditions, expands topological network similarity across tetrahedral systems and opens possibilities for a broad family of diamond-like, carbon-based compounds with tunable properties based on the wide potential for guest/host-atom substitutions and framework versatility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quasi-Floquet Prethermalization in a Disordered Dipolar Spin Ensemble in Diamond

Floquet (periodic) driving has recently emerged as a powerful technique for engineering quantum systems and realizing nonequilibrium phases of matter. A central challenge to stabilizing quantum phenomena in such systems is the need to prevent energy absorption from the driving field. Fortunately, when the frequency of the drive is significantly larger than the local energy scales of the many-body system, energy absorption is suppressed. The existence of this so-called prethermal regime depends sensitively on the range of interactions and the presence of multiple driving frequencies. Here, we report the observation of Floquet prethermalization in a strongly interacting dipolar spin ensemble in diamond, where the angular dependence of the dipolar coupling helps to mitigate the long-ranged nature of the interaction. Moreover, we extend our experimental observation to quasi-Floquet drives with multiple incommensurate frequencies. In contrast to a single-frequency drive, we find that the existence of prethermalization is extremely sensitive to the smoothness of the applied field. In conclusion, our results open the door to stabilizing and characterizing nonequilibrium phenomena in quasiperiodically driven systems.

36 MATERIALS SCIENCE↗

Quantum Disordered State of Magnetic Charges in Nanoengineered Honeycomb Lattice

Abstract A quantum magnetic state due to magnetic charges is never observed, even though they are treated as quantum mechanical variables in theoretical calculations. Here, the occurrence of a novel quantum disordered state of magnetic charges in a nanoengineered magnetic honeycomb lattice of ultra‐small connecting elements is demonstrated. The experimental research, performed using spin resolved neutron scattering, reveals a massively degenerate ground state, comprised of low integer and energetically forbidden high integer magnetic charges, that manifests cooperative paramagnetism at low temperature. The system tends to preserve the degenerate configuration even under large magnetic field application. It exemplifies the robustness of disordered correlation of magnetic charges in a 2D honeycomb lattice. The realization of quantum disordered ground state elucidates the dominance of exchange energy, which is enabled due to the nanoscopic magnetic element size in nanoengineered honeycomb. Consequently, an archetypal platform is envisaged to study quantum mechanical phenomena due to emergent magnetic charges.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Giant Electrocaloric Effect in Ferroelectrics with Tailored Polaw-Nanostructures

Electrocaloric effect (ECE) is the temperature and/or entropy change in a dielectric material caused by an electric field induced polarization change. Although ECE has been studied since 1930s, the very small ECE observed in earlier studies in bulk materials before 2007 makes it not attractive for practical cooling applications. The objectives of this DOE program are to carry out a systematical scientific research on the entropy change and ECE in polar-dielectrics, especially ferroelectrics based on several fundamental hypotheses and to search for answers on a few scientific questions. Especially, this research program developed a series of polar-dielectric materials with controlled nano- and meso-structures and carried out studies on how these structures affect the polar-ordering, correlations, energy landscapes, and consequently the entropy states at different phases and ECE. The key hypotheses of the program include: (i) Whether a large ECE can be obtained near the ferroelectric-paraelectric (FE-PE) transition in properly designed ferroelectrics which possess large polarization P and large ß (the coefficient in the thermodynamic Landau theory where the Gibbs free energy G = G = G 0 + ½ a P 2 +1/4 b P 4 + 1/6 c P 6 – EP, and a = ß (T-T c ), where b,c,ß and Tc are constants)? (ii) What determines/determine ß? Whether a ferroelectric material with built-in disorders, which disrupt the polar-correlations and enabling a large number of local polar-states, such as a properly designed ferroelectric relaxor, can achieve a large ECE? (iii) How to design a ferroelectric material which has flat energy landscape so that the energy barriers for switching among different phases are vanishingly small? What are the necessary conditions to maximize the number of coexisting phases? (iv) How to design ferroelectric materials with a large tunable dielectric response? That is, at zero electric field, the material possesses very low polar-correlation and hence a very small dielectric constant, under the application of electric field, the material develops long range polar-correlation and hence a high dielectric response. Studying and developing these materials will deepen our understanding on the polarization responses in strongly coupled materials and the roles of molecular and nano, meso-, and micro-scale defects and structures on the polarization responses. On the application front, besides ECE, these dielectrics will also have great impact on micro-electronics and communications. (v) The multi-field effect, besides the electric, elastic and even magnetic effects, could be made use of to tune the energy landscape of polar-materials and hence enhance the ECE. Hence the question is what are the suitable material systems to develop and maximize the multi-field effects? (vi) Besides solid dielectric, liquid dielectrics with properly designed molecular structures and dipolar coupling can also exhibit a large ECE near the dipolar order-disorder transition. The study of order-disorder transition and their influence on entropy change and ECE will provide additional avenue to study dielectrics and understand relationship between the polar-ordering and dipolar entropy in dielectrics. (vii) Besides the regular ECE in which applying an electric field will induce dipolar ordering, there are dielectric material systems which can exhibit negative ECE in which the applied field will reduce the dipolar ordering and anomalous ECE in which applying an electric field pulse will generate cooling only. The question is how to control and balance the nano- and meso-scale polar coupling in dielectrics to achieve such effects? ECE in dielectrics provides an interesting and effective avenue to probe the polar-correlation in dielectrics. Thus the study of ECE in polar-dielectrics, besides the application values, will also deepen our understanding of strongly coupled materials systems, phase transitions, and materials systems with nano- and meso-scale disorders. Through the efforts of this DoE program, we have developed understandings for many questions and materials approaches for many hypotheses listed above. The major accomplishments include: (i) The first one to show that a giant ECE can be obtained in bulk materials of ferroelectric P(VDF-TrFE) copolymer, which has a large ß coefficient and high polarization, near FE-PE transition.[1,3,12] (ii) The first who developed the theoretical analyses on the upper bound of dipolar entropy change in polar-materials and the general approach to maximize the coexisting phases with vanishingly small switching fields among the coexisting phases[10,23] Experimental results confirm these theoretical predictions.[24] (iii) The first to show that the relaxor ferroelectrics, due to built-in defects structures at nano- and meso scale, exhibit a giant ECE over a broad temperature range.[1,3,7,14] (iv) The first to show that a large ECE can be obtained near order-disorder transition in dielectric fluids such as liquid crystals with large dielectric anisotropy. Also the study developed a general approach for developing dielectric fluids to achieve a large electric field induced entropy change.[26] (v) We are starting to explore the multi-field effect (multiferroic effect) in nanocomposites in which there exist large dielectric contrasts between the matrix and nanofilelrs and showed that a significantly enhanced ECE compared with polymer matrix.[36] (vi) By facially tuning the nano- and meso-scale dipolar coupling, we are the first to show that an anomalous ECE can be obtained in a relaxor/normal ferroelectric blend.[39] (vii) Introduced and demonstrated that the internal bias field approach can be effective in enhancing the EC response at low electric field. The result is significant since for practical applications, a low applied field is highly desired. (viii) A high sensitivity ECE characterization system has been developed. This program has made major contributions to the advancement of the EC materials and understandings of EC phenomena. To reflect the advancement in the EC materials development and scientific understandings on ECE through in this time period (from Sept. 1, 2007 to May 2015), this final report is written based on the reports complied each year through the program. Some early works on the ECE which were obtained using the indirect method are not included in this report.

36 MATERIALS SCIENCE↗

Role of disorder and correlations in the metal-insulator transition in ultrathin SrVO 3 films

Metallic oxide SrVO 3 represents a prototype system for the study of the mechanism behind thickness-induced metal-to-insulator transition (MIT) or crossover in thin films due to its simple cubic symmetry with one electron in the 3d state in the bulk. Here we report a deviation of chemical composition and distortion of lattice structure existing in the initial 3 unit cells of SrVO 3 films grown on SrTiO 3 (001) from its bulk form, which shows a direct correlation to the thicknessdependent MIT. In-situ photoemission and scanning tunneling spectroscopy indicate a MIT at the critical thickness of ~3 unit cell (u.c.), which coincides with the formation of a (√2x√2)R45° surface reconstruction. However, atomically resolved scanning transmission electron microscopy and electron energy loss spectroscopy show depletion of Sr, change of V valence, thus implying the existence of a significant amount of oxygen vacancies in the 3 u.c. of SrVO 3 near the interface. Transport and magneto-transport measurements further reveal that disorder, rather than electron correlations, is likely to be the main cause for the MIT in the SrVO 3 ultrathin films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Absence of thermalization in finite isolated interacting Floquet systems

Conventional wisdom suggests that the long time behavior of isolated interacting periodically driven (Floquet) systems is a featureless maximal entropy state characterized by an infinite temperature. Efforts to thwart this uninteresting fixed point include adding sufficient disorder to realize a Floquet many-body localized phase or working in a narrow region of drive frequencies to achieve glassy non-thermal behavior at long time. Here we show that in clean systems the Floquet eigenstates can exhibit non-thermal behavior due to finite system size. We consider a one-dimensional system of spinless fermions with nearest-neighbor interactions where the interaction term is driven. Interestingly, even with no static component of the interaction, the quasienergy spectrum contains gaps and a significant fraction of the Floquet eigenstates, at all quasienergies, have non-thermal average doublon densities. Finally, we show that this non-thermal behavior arises due to emergent integrability at large interaction strength and discuss how the integrability breaks down with power-law dependence on system size.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Colloid Science Collides with Liquid Crystals

Brownian motion—the chaotic movement of colloidal particles that results from their collisions with solvent molecules—controls transport processes in systems as complex as the interior of living cells and as mundane as a film of drying paint. In a simple solvent, if you measure the distance the colloid travels (its displacement) for a sufficiently long time, the disorderly motion obeys a simple relation: The mean squared displacement (MSD) scales linearly with time. However, more recent studies of complex systems (e.g., concentrated solutions of proteins, polymers, or surfactants) revealed deviations from this classical behavior caused by local fluctuations in the composition and structure of the medium around the colloid. Now, in a strikingly elegant study described on page 1351 of this issue, Turiv et al. unmask a new example of “anomalous diffusion” of colloids that involves a liquid crystal (LC), a liquid-like phase that has long-range orientational ordering. Lastly, fluctuations in the solvent-molecule orientations cause MSDs of colloids to grow nonlinearly with time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A high-throughput workflow to analyze sequence-conformation relationships and explore hydrophobic patterning in disordered peptoids

Understanding how a macromolecule’s primary sequence governs its conformational landscape is crucial for elucidating its function, yet these design principles are still emerging for macromolecules with intrinsic disorder. Herein, we introduce a high-throughput workflow that implements a practical colorimetric conformational assay, introduces a semi-automated sequencing protocol using matrix-assisted laser desorption/ionization and tandem mass spectrometry (MALDI-MS/MS), and develops a generalizable sequence-structure algorithm. Using a model system of 20mer peptidomimetics containing polar glycine and hydrophobic N-butylglycine residues, we identified nine classifications of conformational disorder and isolated 122 unique sequences across varied compositions and conformations. Conformational distributions of three compositionally identical library sequences were corroborated through atomistic simulations and ion mobility spectrometry coupled with liquid chromatography. A data-driven strategy was developed using existing sequence variables and data-derived “motifs” to inform a machine-learning algorithm toward conformation prediction. Here, this multifaceted approach enhances our understanding of sequence-conformation relationships and offers a powerful tool for accelerating the discovery of materials with conformational control.

data-driven analysis↗

Structure and Thermodynamics of Hybrid Organic–Inorganic Diblock Copolymers with Salt

© 2019 American Chemical Society. We examine the phase behavior of a hybrid organic-inorganic diblock copolymer/salt mixtures. The experimental system comprises poly(ethylene oxide)-block-polyhedral oligomeric silsesquioxane (PEO-POSS) mixed with a lithium bis(trifluoromethane sulfonyl) imide (LiTFSI) salt. Although the diblock copolymers without salt exhibit a classical order-to-disorder transition behavior with increasing temperature, the PEO-POSS/salt mixtures exhibit disorder-to-order transitions with increasing temperature. The analysis of a small-angle X-ray scattering data from the disordered state using Leibler's random phase approximation enables the determination of an effective Flory-Huggins interaction parameter, χ eff , for the electrolytes. Unlike conventional systems, χ eff increases with increasing temperature. A simple expression is proposed to describe the dependence of χ eff on temperature and salt concentration. This enables the calculation of the segregation strength, χ eff N, for both ordered and disordered electrolytes. The composition of the electrolytes is quantified by f EO/LiTFSI , the volume fraction of the salt-containing poly(ethylene oxide)-rich phase. The morphology of electrolytes is presented on a χ eff N versus f EO/LiTFSI phase diagram. Finally, over the values of f EO/LiTFSI studied (0.61-0.91), only two ordered phases were found: lamellae and co-existing lamellae/hexagonally packed cylinders.

36 MATERIALS SCIENCE↗

The Galactic Cosmic Ray Simulator at the NASA Space Radiation Research Laboratory

With NASA’s new Artemis plan for a sustainable return to the moon, astronauts will once again leave Earth’s protective magnetosphere only to endure higher levels of radiation from galactic cosmic radiation (GCR). The ever penetrating GCR will continue to pose significant health risks especially as lunar missions increase in duration and as NASA sets its aspirations on Mars. The primary risks of concern include carcinogenesis, central nervous system (CNS) effects resulting in potential in-mission cognitive or behavioral impairment and/or late neurological disorders, and degenerative tissue effects including circulatory and heart disease. Characterization and mitigation of these risks requires a significant reduction in the large biological uncertainties of chronic (low-dose rate) heavy ion exposures and the validation of countermeasures in a relevant space environment. Historically, most research on understanding space radiation-induced health risks has been performed using acute exposures of monoenergetic single-ion beams. However, the space radiation environment consists of a wide variety of ion species over a broad energy range. Using the fast beam switching and controls systems technology recently developed at the NASA Space Radiation Laboratory at Brookhaven National Laboratory, a new era in radiobiological research is possible. NASA has developed the “GCR simulator” to generate a spectrum of ion beams that approximates the primary and secondary GCR field experienced at human organ locations within a deep-space vehicle.

NASA Space Radiation Laboratory↗