Local Sn Dipolar-Character Displacements behind the Low Thermal Conductivity in SnSe Thermoelectric.

The local atomic structure of SnSe was characterized across its orthorhombic-to-orthorhombic structural phase transition using x-ray pair distribution function analysis. Substantial Sn displacements with a dipolar character persist in the high-symmetry high-temperature phase, albeit with a symmetry different from that of the ordered displacements below the transition. The analysis implies that the transition is neither order-disorder nor displacive but rather a complex crossover. Robust ferrocoupled SnSe intralayer distortions suggest a ferroelectriclike instability as the driving force. These local symmetry-lowering Sn displacements are likely integral to the ultralow lattice thermal conductivity mechanism in SnSe.

Physiological tremor is suppressed and force steadiness is enhanced with increased availability of serotonin regardless of muscle fatigue.

Although there is evidence that 5-HT acts as an excitatory neuromodulator to enhance maximal force generation, it is largely unknown how 5-HT activity influences the ability to sustain a constant force during steady-state contractions. A total of 22 healthy individuals participated in the study, where elbow flexion force was assessed during brief isometric contractions at 10% maximal voluntary contraction (MVC), 60% MVC, MVC, and during a sustained MVC. The selective serotonin reuptake inhibitor, paroxetine, suppressed physiological tremor and increased force steadiness when performing the isometric contractions. In particular, a main effect of drug was detected for peak power of force within the 8-12 Hz range (P = 0.004) and the coefficient of variation (CV) of force (P < 0.001). A second experiment was performed where intermittent isometric elbow flexions (20% MVC sustained for 2 min) were repeatedly performed so that serotonergic effects on physiological tremor and force steadiness could be assessed during the development of fatigue. Main effects of drug were once again detected for peak power of force in the 8-12 Hz range (P = 0.002) and CV of force (P = 0.003), where paroxetine suppressed physiological tremor and increased force steadiness when the elbow flexors were fatigued. The findings of this study suggest that enhanced availability of 5-HT in humans has a profound influence of maintaining constant force during steady-state contractions. The action of 5-HT appears to suppress fluctuations in force regardless of the fatigue state of the muscle.NEW & NOTEWORTHY Converging lines of research indicate that enhanced serotonin availability increases maximal force generation. However, it is largely unknown how serotonin influences the ability to sustain a constant force. We performed two experiments to assess physiological tremor and force steadiness in unfatigued and fatigued muscle when serotonin availability was enhanced in the central nervous system. Enhanced availability of serotonin reduced physiological tremor amplitude and improved steadiness regardless of muscle fatigue.

Dual Orbital Degeneracy Lifting in a Strongly Correlated Electron System.

The local structure of NaTiSi_{2}O_{6} is examined across its Ti-dimerization orbital-assisted Peierls transition at 210 K. An atomic pair distribution function approach evidences local symmetry breaking preexisting far above the transition. The analysis unravels that, on warming, the dimers evolve into a short range orbital degeneracy lifted (ODL) state of dual orbital character, persisting up to at least 490 K. The ODL state is correlated over the length scale spanning ∼6 sites of the Ti zigzag chains. Results imply that the ODL phenomenology extends to strongly correlated electron systems.

The upgraded Polaris powder diffractometer at the ISIS neutron source.

This paper describes the design and operation of the Polaris time-of-flight powder neutron diffractometer at the ISIS pulsed spallation neutron source, Rutherford Appleton Laboratory, UK. Following a major upgrade to the diffractometer in 2010-2011, its detector provision now comprises five large ZnS scintillator-based banks, covering an angular range of 6° ≤ 2θ ≤ 168°, with only minimal gaps between each bank. These detectors have a substantially increased solid angle coverage (Ω âˆ¼ 5.67 sr) compared to the previous instrument (Ω âˆ¼ 0.82 sr), resulting in increases in count rate of between 2× and 10×, depending on 2θ angle. The benefits arising from the high count rates achieved are illustrated using selected examples of experiments studying small sample volumes and performing rapid, time-resolved investigations. In addition, the enhanced capabilities of the diffractometer in the areas of in situ studies (which are facilitated by the installation of a novel design of radial collimator around the sample position and by a complementary programme of advanced sample environment developments) and in total scattering studies (to probe the nature of short-range atomic correlations within disordered crystalline solids) are demonstrated.

A suite-level review of the neutron powder diffraction instruments at Oak Ridge National Laboratory.

The suite of neutron powder diffractometers at Oak Ridge National Laboratory (ORNL) utilizes the distinct characteristics of the Spallation Neutron Source and High Flux Isotope Reactor to enable the measurements of powder samples over an unparalleled regime at a single laboratory. Full refinements over large Q ranges, total scattering methods, fast measurements under changing conditions, and a wide array of sample environments are available. This article provides a brief overview of each powder instrument at ORNL and details the complementarity across the suite. Future directions for the powder suite, including upgrades and new instruments, are also discussed.

Coupling of emergent octahedral rotations to polarization in (K,Na)NbO3 ferroelectrics.

Perovskite potassium sodium niobates, K1-xNaxNbO3, are promising lead-free piezoelectrics. Their dielectric and piezoelectric characteristics peak near x = 0.5, but the reasons for such property enhancement remain unclear. We addressed this uncertainty by analyzing changes in the local and average structures across the x = 0.5 composition, which have been determined using simultaneous Reverse Monte Carlo fitting of neutron and X-ray total-scattering data, potassium EXAFS, and diffuse-scattering patterns in electron diffraction. Within the A-sites, Na cations are found to be strongly off-centered along the polar axis as a result of oversized cube-octahedral cages determined by the larger K ions. These Na displacements promote off-centering of the neighboring Nb ions, so that the Curie temperature and spontaneous polarization remain largely unchanged with increasing x, despite the shrinking octahedral volumes. The enhancement of the properties near x = 0.5 is attributed to an abrupt increase in the magnitude and probability of the short-range ordered octahedral rotations, which resembles the pre-transition behavior. These rotations reduce the bond tension around Na and effectively soften the short Na-O bond along the polar axis - an effect that is proposed to facilitate reorientation of the polarization as external electric field is applied.

A high pressure neutron study of colossal magnetoresistant NdMnAsO(0.95)F(0.05).

A high pressure neutron diffraction study of the oxypnictide NdMnAsO0.95F0.05 has been performed at temperatures of 290-383 K and pressures up to 8.59 GPa. The results demonstrate that the antiferromagnetic order of the Mn spins is robust to pressures of up to 8.59 GPa. TN is enhanced from 360 to 383 K upon applying an external pressure of 4.97 GPa, a rate of 4.63 K GPa(-1). NdMnAsO0.95F0.05 is shown to violate Bloch's rule which would suggest that NdMnAsO0.95F0.05 is on the verge of a localized to itinerant transition. There is no evidence of a structural transition but applied pressure tends to result in more regular As-Mn-As and Nd-O-Nd tetrahedra. The unit cell is significantly more compressible along the c-axis than the a-axis, as the interlayer coupling is weaker than the intrinsic bonds contained within NdO and MnAs slabs.

Flexibility of zeolitic imidazolate framework structures studied by neutron total scattering and the reverse Monte Carlo method.

The zeolitic imidazolate framework ZIF-4 undergoes an amorphization transition at about 600 K, and then transforms at about 700 K to ZIF-zni, the densest of the crystalline ZIFs. This series of long-range structural rearrangements must give a corresponding series of changes in the local structure, but these have not previously been directly investigated. Through analysis of neutron total diffraction data by reverse Monte Carlo modelling, we assess the changes in flexibility across this series, identifying the key modes of flexibility within ZIF-4 and the amorphous phase. We show that the ZnN4 tetrahedra remain relatively rigid, albeit less so than SiO4 tetrahedra in silicates. However, the extra degrees of freedom afforded by the imidazolate ligand, compared to silicate networks, vary substantially between phases, with a twisting motion out of the plane of the ligand being particularly important in the amorphous phase. Our results further demonstrate the feasibility of reverse Monte Carlo simulations for studying intermolecular interactions in solids, even in cases, such as the ZIFs, where the pair distribution function is dominated by intramolecular peaks.

Vibrational origin of the thermal stability in the high-performance piezoelectric material GaAsO4.

Theoretical calculations and experiments show the absence of libration modes of the tetrahedra in GaAsO(4), the most α-quartz-type distorted material. In consequence, the degree of dynamic disorder at high temperature is very low, making GaAsO(4) of high interest for high-temperature applications. This paper shows the importance of the theoretical calculations of vibration in oxide materials. In this way, it could be possible to extend this result to other materials and predict the thermal stability of the materials and their potential applications at high temperature.

Botulinum toxin management of childhood intermittent exotropia.

OBJECTIVE: Intermittent exotropia is a common form of childhood strabismus that has a late onset and presents a difficult and frustrating management dilemma. Surgical treatments have a high recurrence rate, and multiple surgeries often are required to achieve a desirable motor outcome. This study presents long-term observations on the use of botulinum toxin for the treatment of intermittent exotropia in children. DESIGN: This study is a nonrandomized, case-controlled study of consecutive pediatric patients who had intermittent exotropia. PARTICIPANTS: Thirty-two neurologically normal children ranging from 3 to 144 months in age were diagnosed with intermittent exotropia with a minimum distance deviation of 15 prism diopters (PD). INTERVENTION: Simultaneous bilateral injections of 2.5 units botulinum toxin type A were made into the lateral rectus muscles with the patient receiving nitrous oxide-ethrane inhalation anesthesia. Patients were observed for 12 to 44 months after the initial injection. MAIN OUTCOME MEASURES: A satisfactory outcome was considered to be stable binocular alignment of the eyes to an orthophoric range of +/-10 PD. RESULTS: Bilateral lateral rectus muscle injections of botulinum toxin were effective in reducing the mean preinjection deviation of -29 PD to an average exotropic angle of -6 PD. Stable orthophoria (+/-10 PD) was achieved in 22 patients (69%). Overall, male patients required significantly fewer injections than did female patients. All patients between 24 and 56 months of age, irrespective of gender, required only a single bilateral injection to achieve a favorable motor outcome. CONCLUSIONS: Botulinum toxin is at least as effective as surgical outcomes reported previously for the treatment of intermittent exotropia in children. This treatment method is particularly effective in children between 2 and 4.5 years of age irrespective of the initial strabismic angle and is not associated with any secondary abnormalities.

Botulinum toxin management of essential infantile esotropia in children.

BACKGROUND: Infantile esotropia has an onset during early infancy when visual cortical connections are established for binocular fusion and stereopsis. The goal of early treatment is to achieve normal binocular alignment and a favorable sensory outcome. OBJECTIVE: To determine the long-term effects of the use of botulinum toxin for the management of infantile esotropia in children. PATIENTS: Seventy-six neurologically normal children ranging from 4 to 48 months of age were entered consecutively into the study after being given the initial diagnosis of infantile esotropia with a mean strabismic angle of 33 prism diopters. INTERVENTIONS: Simultaneous bilateral injections of 2.5 U of botulinum toxin type A were made into the medial rectus muscles under nitrous oxide and ethrane anesthesia. Patients were followed up for 12 to 95 months after the last injection. Forty patients required 1 bilateral injection and 36 patients required multiple bilateral injections to achieve a favorable motor outcome. RESULTS: Bilateral medial rectus muscle injections of botulinum toxin were effective in reducing the mean preinjection deviation of 33 PD to an average esotropic angle of 2 PD. Binocular alignment (+/- 10 PD) was achieved in 68 patients (89%). Boys required significantly fewer injections than did girls. The secondary incidence of overacting inferior oblique muscles was significantly greater in boys, while girls had a significantly greater incidence of late-onset refractive errors. CONCLUSION: Botulinum toxin is an effective treatment modality for the management of infantile esotropia in infants and children, producing binocular alignment of the visual axes.

An electrical impedance tomography microscope.

A circular array of 16 electrodes has been constructed for use as an electrical impedance tomography (EIT) microscope. The electrodes were made from 60 microns diameter gold wires anchored to a printed circuit board. The internal diameter of the array was 0.9 mm giving a theoretical spatial resolution of about 100 microns. For EIT imaging, the array was connected to an imaging system operating at 82 kHz. Static images of conducting and insulating filaments (cooper wire and human hair) in saline solution were obtained as well as dynamic imaging sequences of glass microspheres migrating through the array. The interelectrode impedance was typically 5 k omega and the transimpedances ranged from 14 to 210 omega.

Observations on bilateral simultaneous botulinum toxin injection in infantile esotropia.

Botulinum toxin (BoTX) is an effective pharmacological alternative to the surgical management of strabismus in adults. In a previous study, we found that concurrent bilateral medial rectus muscle BoTX injections for infantile esotropia could produce stable ocular realignment without significant risk. No other investigators have used bilateral simultaneous BoTX injection. We report the results of bilateral simultaneous medial rectus BoTX injection in 57 infantile esotropia patients followed for a minimum of 12 months. The esotropic angle in 27 infantile esotropia patients under 12 months of age was reduced from 43 +/- 12 to 1 +/- 2 prism diopters. The esotropic angle in 30 infantile esotropia patients at a mean age of 24 months was reduced from 31 +/- 12 to 2 +/- 3 delta. Other variables including late onset of hyperopic refractive errors, dissociated vertical deviations, overacting oblique muscles, and consecutive exodeviations are evaluated. We regard BoTX as reliable therapy in infantile esotropia.