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At least 1,153 records · Page 64

Medical Devices Assess, Treat Balance Disorders

You may have heard the phrase as difficult as walking and chewing gum as a joking way of referring to something that is not difficult at all. Just walking, however, is not all that simple physiologically speaking. Even standing upright is an undertaking requiring the complex cooperation of multiple motor and sensory systems including vision, the inner ear, somatosensation (sensation from the skin), and proprioception (the sense of the body s parts in relation to each other). The compromised performance of any of these elements can lead to a balance disorder, which in some form affects nearly half of Americans at least once in their lifetimes, from the elderly, to those with neurological or vestibular (inner ear) dysfunction, to athletes with musculoskeletal injuries, to astronauts returning from space. Readjusting to Earth s gravity has a significant impact on an astronaut s ability to balance, a result of the brain switching to a different "model" for interpreting sensory input in normal gravity versus weightlessness. While acclimating, astronauts can experience headaches, motion sickness, and problems with perception. To help ease the transition and study the effects of weightlessness on the body, NASA has conducted many investigations into post-flight balance control, realizing this research can help treat patients with balance disorders on Earth as well. In the 1960s, the NASA-sponsored Man Vehicle Laboratory at the Massachusetts Institute of Technology (MIT) studied the effects of prolonged space flight on astronauts. The lab s work intrigued MIT doctoral candidate Lewis Nashner, who began conducting NASA-funded research on human movement and balance under the supervision of Dr. Larry Young in the MIT Department of Aeronautics and Astronautics. In 1982, Nashner s work resulted in a noninvasive clinical technique for assessing the cooperative systems that allow the body to balance, commonly referred to as computerized dynamic posturography (CDP). CDP employs a series of dynamic protocols to isolate and assess balance function deficiencies. The technology was based on Nashner s novel, engineering-inspired concept of balance as an adaptable collaboration between multiple sensory and motor systems. CDP proved useful not only for examining astronauts, but for anyone suffering from balance problems. Today, CDP is the standard medical tool for objectively evaluating balance control.

Source record↗

The structure of CO{sub 2} hydrate between 0.7 and 1.0 GPa

A deuterated sample of CO{sub 2} structure I (sI) clathrate hydrate (CO{sub 2}·8.3 D{sub 2}O) has been formed and neutron diffraction experiments up to 1.0 GPa at 240 K were performed. The sI CO{sub 2} hydrate transformed at 0.7 GPa into the high pressure phase that had been observed previously by Hirai et al. [J. Phys. Chem. 133, 124511 (2010)] and Bollengier et al. [Geochim. Cosmochim. Acta 119, 322 (2013)], but which had not been structurally identified. The current neutron diffraction data were successfully fitted to a filled ice structure with CO{sub 2} molecules filling the water channels. This CO{sub 2}+water system has also been investigated using classical molecular dynamics and density functional ab initio methods to provide additional characterization of the high pressure structure. Both models indicate the water network adapts a MH-III “like” filled ice structure with considerable disorder of the orientations of the CO{sub 2} molecule. Furthermore, the disorder appears to be a direct result of the level of proton disorder in the water network. In contrast to the conclusions of Bollengier et al., our neutron diffraction data show that the filled ice phase can be recovered to ambient pressure (0.1 MPa) at 96 K, and recrystallization to sI hydrate occurs upon subsequent heating to 150 K, possibly by first forming low density amorphous ice. Unlike other clathrate hydrate systems, which transform from the sI or sII structure to the hexagonal structure (sH) then to the filled ice structure, CO{sub 2} hydrate transforms directly from the sI form to the filled ice structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Temperature-dependent Local Structure of LaFeAsO(1-x)F(x): Probing the Atomic Correlations

The local structure of the parent and doped LaFeAsO{sub 1-x}F{sub x} (pnictide) compounds were studied by x-ray absorption spectroscopy and density functional methods. In the doped system, the Fe-As and Fe-Fe correlations are both well modeled by an Einstein model. For the Fe-As bonds, the Einstein temperatures are identical for the doped (11%) and undoped samples but the doped sample is found to have a lower level of static disorder. Doping is found to increases the effective Einstein temperature of Fe-Fe atomic correlation. The results suggest that the onset of superconductivity in the F doped system may be related to enhanced magnetic interactions. Density functional calculations of the total charge density reveal strong bonding between neighboring As ions but metal-like behavior in the Fe layers. It is also seen directly that the replacement of oxygen by fluorine modifies the electron charge density mainly on the Fe sites.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Effect of inter-species selective interactions on the thermodynamics and nucleation free-energy barriers of a tessellating polyhedral compound

The phase behavior and the homogeneous nucleation of an equimolar mixture of octahedra and cuboctahedra are studied using thermodynamic integration, Gibbs-Duhem integration, and umbrella sampling simulations. The components of this mixture are modeled as polybead objects of equal edge lengths so that they can assemble into a space-filling compound with the CsCl crystal structure. Taking as reference the hard-core system where the compound crystal does not spontaneously nucleate, we quantified the effect of inter-species selective interactions on facilitating the disorder-to-order transition. Facet selective and facet non-selective inter-species attractions were considered, and while the former was expectedly more favorable toward the target tessellating structure, the latter was found to be similarly effective in nucleating the crystal compound. Ranges for the strength of attractions and degree of supersaturation were identified where the nucleation free-energy barrier was small enough to foretell a fast process but large enough to prevent spinodal fluctuations that can trap the system in dense metastable states lacking long-range order. At those favorable conditions, the tendency toward the local orientational order favored by packing entropy is amplified and found to play a key role seeding nuclei with the CsCl structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Floquet Majorana zero and π modes in planar Josephson junctions

Here, we highlight how Floquet Majorana fermions may be experimentally realized by periodic driving of a solid-state platform. The system comprises a planar Josephson junction made of a proximitized heterostructure containing a two-dimensional electron gas with Rashba spin-orbit coupling and Zeeman field. We map the subgap Andreev bound states of the junction to an effective one-dimensional Kitaev model with long-range hopping and pairing terms. Using this effective model, we study the response of the system to periodic driving of the chemical potential, as applied via microwaves through a top gate. We use the bulk Floquet topological invariants to characterize the system in terms of the number of zero and π Majorana modes for experimentally realistic parameters. We present signatures of these modes on differential conductance and local density of states. A notable feature is subharmonic response to the drive when both Majorana zero and π modes are present, thus opening up the possibility of using this feature to clearly identify Majorana modes. Furthermore, we illustrate the robustness of these features to disorder, and show that despite hybridization due to long localization lengths, the main features of the subharmonic response are still identifiable in an experimental system that is readily accessible.

36 MATERIALS SCIENCE↗

Magnetotransport Anomaly in Room-Temperature Ferrimagnetic NiCo 2 O 4 Thin Films

The inverse spinel ferrimagnetic NiCo 2 O 4 presents a unique model system for studying the competing effects of crystalline fields, magnetic exchange, and various types of chemical and lattice disorder on the electronic and magnetic states. Here, magnetotransport anomalies in high–quality epitaxial NiCo 2 O 4 thin films resulting from the complex energy landscape are reported. A strong out–of–plane magnetic anisotropy, linear magnetoresistance, and robust anomalous Hall effect above 300 K are observed in 5–30 unit cell NiCo 2 O 4 films. The anomalous Hall resistance exhibits a nonmonotonic temperature dependence that peaks around room temperature, and reverses its sign at low temperature in films thinner than 20 unit cells. The scaling relation between the anomalous Hall conductivity and longitudinal conductivity reveals the intricate interplay between the spin–dependent impurity scattering, band intrinsic Berry phase effect, and electron correlation. Here, this study provides important insights into the functional design of NiCo 2 O 4 for developing spinel–based spintronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Kinetics of amorphous defect phases measured through ultrafast nanocalorimetry

Recognition of the role of extended defects on local phase transitions has led to the conceptualization of the defect phase, localized thermodynamically stable interfacial states that have since been applied in a myriad of material systems to realize significant enhancements in material properties. Here, we explore the kinetics of grain boundary confined amorphous defect phases, utilizing the high temperature and scanning rates afforded by ultrafast differential scanning calorimetry to apply targeted annealing/quenching treatments at high rates capable of capturing the kinetic behavior. Four Al-based nanocrystalline alloys, including two binary systems, Al–Ni and Al–Y, and two ternary systems, Al–Mg–Y and Al–Ni–Y, are selected to probe the materials design space (enthalpy of mixing, enthalpy of segregation, chemical complexity) for amorphous defect phase formation and stability, with correlative transmission electron microscopy applied to link phase evolution and grain stability to nanocalorimetry signatures. A series of targeted isothermal annealing heat treatments is utilized to construct a Time–Temperature-Transformation curve for the Al–Ni system, from which a critical cooling rate of 2400 °C/s was determined for the grain boundary confined disordered-to-ordered transition. Finally, a thermal profile consisting of 1000 repeated annealing sequences was created to quantify the recovery of the amorphous defect phase following sequential annealing treatments, with results indicating remarkable microstructural stability after annealing at temperatures above 90% of the melting temperature. This work contributes to a deeper understanding of grain boundary localized thermodynamics and kinetics, with potential implications for the design and optimization of advanced materials with enhanced stability and performance.

Amorphous defect phases↗

Syntheses, crystal structures, and optical properties of CsBa{sub 5}Ti{sub 2}Se{sub 9}Cl and CsBa{sub 2}Cl{sub 5}

The mixed-cation compounds CsBa{sub 5}Ti{sub 2}Se{sub 9}Cl and CsBa{sub 2}Cl{sub 5} were synthesized in the same solid-state reaction at 1173 K. CsBa{sub 5}Ti{sub 2}Se{sub 9}Cl adopts the Cs{sub 3}CoCl{sub 5} structure type in the tetragonal crystal system whereas CsBa{sub 2}Cl{sub 5} crystallizes in the PbU{sub 2}Se{sub 5} structure type in the monoclinic crystal system. The CsBa{sub 5}Ti{sub 2}Se{sub 9}Cl structure displays both Cs/Ba and Se/Cl disorder. From optical absorption measurements CsBa{sub 5}Ti{sub 2}Se{sub 9}Cl is an indirect wide-gap semiconductor. From theoretical calculations CsBa{sub 2}Cl{sub 5} has a large band gap of 6.4 eV. - Graphical abstract: General view of the crystal structure of CsBa{sub 5}Ti{sub 2}Se{sub 9}Cl. Display Omitted - Highlights: • CsBa{sub 5}Ti{sub 2}Se{sub 9}Cl is an indirect wide-gap semiconductor. • Red crystals of CsBa{sub 5}Ti{sub 2}Se{sub 9}Cl show an absorption transition at 2.00(2) eV. • As expected, DFT calculations indicate CsBa{sub 2}Cl{sub 5} has a large band gap of 6.4 eV. • Unexpectedly, crystals of CsBa{sub 2}Cl{sub 5} are pink, perhaps from minimal Ti impurities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structural Diversity of Arthropod Biophotonic Nanostructures Spans Amphiphilic Phase-Space

Many organisms, especially arthropods, produce vivid interference colors using diverse mesoscopic (100-350 nm) integumentary biophotonic nanostructures that are increasingly being investigated for technological applications. Despite a century of interest, precise structural knowledge of many biophotonic nanostructures and the mechanisms controlling their development remain tentative, when such knowledge can open novel biomimetic routes to facilely self-assemble tunable, multifunctional materials. Here, we use synchrotron small-angle X-ray scattering and electron microscopy to characterize the photonic nanostructure of 140 integumentary scales and setae from ~127 species of terrestrial arthropods in 85 genera from 5 orders. We report a rich nanostructural diversity, including triply periodic bicontinuous networks, close-packed spheres, inverse columnar, perforated lamellar, and disordered spongelike morphologies, commonly observed as stable phases of amphiphilic surfactants, block copolymer, and lyotropic lipid-water systems. Diverse arthropod lineages appear to have independently evolved to utilize the self-assembly of infolding lipid-bilayer membranes to develop biophotonic nanostructures that span the phase-space of amphiphilic morphologies, but at optical length scales.

Saranathan, Vinod Kumar↗

Effect of Gradient Sequencing on Copolymer Order-Disorder Transitions: Phase Behavior of Styrene/n-Butyl Acrylate Block and Gradient Copolymers

We investigate the effect of gradient sequence distribution in copolymers on order-disorder transitions, using rheometry and small-angle X-ray scattering to compare the phase behavior of styrene/n-butyl acrylate (S/nBA) block and gradient copolymers. Relative to block sequencing, gradient sequencing increases the molecular weight necessary to induce phase segregation by over 3-fold, directly consistent with previous predictions from theory. Results also suggest the existence of both upper and lower order-disorder transitions in a higher molecular weight S/nBA gradient copolymer, made accessible by the shift in order-disorder temperatures from gradient sequencing. The combination of transitions is speculated to be inaccessible in S/nBA block copolymer systems due to their overlap at even modest molecular weights and also their location on the phase diagram relative to the polystyrene glass transition temperature. Finally, we discuss the potential impacts of polydispersity and chain-to-chain monomer sequence variation on gradient copolymer phase segregation.

36 MATERIALS SCIENCE↗

Emergent order in the kagome Ising magnet Dy 3 Mg 2 Sb 3 O 14

The Ising model—in which degrees of freedom (spins) are binary valued (up/down)—is a cornerstone of statistical physics that shows rich behaviour when spins occupy a highly frustrated lattice such as kagome. Here we show that the layered Ising magnet Dy 3 Mg 2 Sb 3 O 14 hosts an emergent order predicted theoretically for individual kagome layers of in-plane Ising spins. Neutron-scattering and bulk thermomagnetic measurements reveal a phase transition at ~ 0.3 K from a disordered spin-ice-like regime to an emergent charge ordered state, in which emergent magnetic charge degrees of freedom exhibit three-dimensional order while spins remain partially disordered. Monte Carlo simulations show that an interplay of inter-layer interactions, spin canting and chemical disorder stabilizes this state. Our results establish Dy 3 Mg 2 Sb 3 O 14 as a tuneable system to study interacting emergent charges arising from kagome Ising frustration.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Entropy-driven order in an array of nanomagnets

Long-range ordering is typically associated with a decrease in entropy. Yet, it can also be driven by increasing entropy in certain special cases. Here we demonstrate that artificial spin-ice arrays of single-domain nanomagnets can be designed to produce such entropy-driven order. We focus on the tetris artificial spin-ice structure, a highly frustrated array geometry with a zero-point Pauling entropy, which is formed by selectively creating regular vacancies on the canonical square ice lattice. We probe thermally active tetris artificial spin ice both experimentally and through simulations, measuring the magnetic moments of the individual nanomagnets. Furthermore, we find two-dimensional magnetic ordering in one subset of these moments, which we demonstrate to be induced by disorder (that is, increased entropy) in another subset of the moments. In contrast with other entropy-driven systems, the discrete degrees of freedom in tetris artificial spin ice are binary and are both designable and directly observable at the microscale, and the entropy of the system is precisely calculable in simulations. This example, in which the system’s interactions and ground-state entropy are well defined, expands the experimental landscape for the study of entropy-driven ordering.

36 MATERIALS SCIENCE↗

Localization and magnetism of the resonant impurity states in Ti doped PbTe

The problem of localization of the resonant impurity states is discussed for an illustrative example of Titanium doped Lead Telluride. Electronic structure of PbTe:Ti is studied using first principles methods, densities of states, and Bloch spectral functions are analyzed. We show that Ti creates resonant states in the conduction band of PbTe, however, spectral functions of the system strongly suggest localization of these states and show poor hybridization with PbTe electronic structure. The contrast between results presented here and previously reported spectral functions for PbTe:Tl correlate very well with the different effect of those impurities on thermopower (S) of PbTe, which is large increase is S for PbTe:Tl and almost no effect on S for PbTe:Ti. Moreover, magnetic properties of the system are studied and formation of magnetic moments on Ti atoms is found, both for ordered (ferromagnetic) and disordered (paramagnetic-like) phases, showing that PbTe:Ti can be a magnetic semiconductor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Phase transitions and dimensional cross-over in layered confined solids

The nature of solid phases and cross-over of order–disorder phase transitions from two-dimensional (2D) layers to three-dimensional (3D) bulk in confined atomic systems remain largely unexplained. To this end, we consider noble gases and aluminum confined between graphene sheets at different pressures and temperatures. Using crystal structure search methods and molecular dynamics based on machine-learned potentials with quantum-mechanical accuracy, we identify structures of multilayer confined solids that deviate from simple close packing. Upon heating, we find that confined 2D monolayers melt according to the two-step continuous Kosterlitz–Thouless–Halperin–Nelson–Young theory. However, multilayer solids transition continuously into an intermediate layered-hexatic phase before melting discontinuously into an isotropic liquid. This intermediate phase persists at least up to 12 layers studied here. This change can be qualitatively understood based on the cross-over from 2D topological defects toward 3D ones during melting as the number of layers increases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ultrafast disordering of vanadium dimers in photoexcited VO 2

Many ultrafast solid phase transitions are treated as chemical reactions that transform the structures between two different unit cells along a reaction coordinate, but this neglects the role of disorder. Although ultrafast diffraction provides insights into atomic dynamics during such transformations, diffraction alone probes an averaged unit cell and is less sensitive to randomness in the transition pathway. Using total scattering of femtosecond x-ray pulses, we show that atomic disordering in photoexcited vanadium dioxide (VO 2 ) is central to the transition mechanism and that, after photoexcitation, the system explores a large volume of phase space on a time scale comparable to that of a single phonon oscillation. These results overturn the current understanding of an archetypal ultrafast phase transition and provide new microscopic insights into rapid evolution toward equilibrium in photoexcited matter.

36 MATERIALS SCIENCE↗

Kinetics of Enzymatic Mercury Methylation at Nanomolar Concentrations Catalyzed by HgcAB

Methylmercury (MeHg) is a potent bioaccumulative neurotoxin that is produced by certain anaerobic bacteria and archaea. Mercury (Hg) methylation has been linked to the gene pair hgcAB , which encodes a membrane-associated corrinoid protein and a ferredoxin. Although microbial Hg methylation has been characterized in vivo , the cellular biochemistry and the specific roles of the gene products HgcA and HgcB in Hg methylation are not well understood. Here, we report the kinetics of Hg methylation in cell lysates of Desulfovibrio desulfuricans ND132 at nanomolar Hg concentrations. The enzymatic Hg methylation mediated by HgcAB is highly oxygen sensitive, irreversible, and follows Michaelis-Menten kinetics, with an apparent K m of 3.2 nM and V max of 19.7 mol · min -1 · mg -1 total protein for the substrate Hg(II). Although the abundance of HgcAB in the cell lysates is extremely low, Hg(II) was quantitatively converted to MeHg at subnanomolar substrate concentrations. Interestingly, increasing thiol/Hg(II) ratios did not impact Hg methylation rates, which suggests that HgcAB-mediated Hg methylation effectively competes with cellular thiols for Hg(II), consistent with the low apparent K m . Supplementation of 5-methyltetrahydrofolate or pyruvate did not enhance MeHg production, while both ATP and a nonhydrolyzable ATP analog decreased Hg methylation rates in cell lysates under the experimental conditions. These studies provide insights into the biomolecular processes associated with Hg methylation in anaerobic bacteria. The concentration of Hg in the biosphere has increased dramatically over the last century as a result of industrial activities. The microbial conversion of inorganic Hg to MeHg is a global public health concern due to bioaccumulation and biomagnification of MeHg in food webs. Exposure to neurotoxic MeHg through the consumption of fish represents a significant risk to human health and can result in neuropathies and developmental disorders. Anaerobic microbial communities in sediments and periphyton biofilms have been identified as sources of MeHg in aquatic systems, but the associated biomolecular mechanisms are not fully understood. In the present study, we investigate the biochemical mechanisms and kinetics of MeHg formation by HgcAB in sulfate-reducing bacteria. These findings advance our understanding of microbial MeHg production and may help inform strategies to limit the formation of MeHg in the environment.

59 BASIC BIOLOGICAL SCIENCES↗