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At least 1,135 records · Page 63

Spatially modulated susceptibility in thin film La 2 - x Ba x CuO 4

The high critical temperature superconductor Lanthanum Barium Copper Oxide (La 2-x Ba x CuO 4 or LBCO) exhibits a strong anomaly in critical temperature at 1/8th doping, nematicity, and other interesting properties. Here, we report Scanning Superconducting Quantum Interference Device (SQUID) imaging of the magnetic fields and susceptibility in a number of thin film LBCO samples with doping in the vicinity of the 1/8th anomaly. Spatially resolved measurements of the critical temperatures of these samples do not show a pronounced depression at 1/8th doping. They do, however, exhibit strong, nearly linear modulations of the susceptibility (“striae”) of multiple samples with surprisingly long periods of 1 - 4 μm. Counterintuitively, vortices trap in positions of largest diamagnetic susceptibility in these striae. Given the rich interplay of different orders in this material system and its known sensitivity to epitaxial strain, we propose phase separation as a possible origin of these features and discuss scenarios in which that might arise.

36 MATERIALS SCIENCE↗

Anharmonicity-induced first-order isostructural phase transition of zirconium under pressure

We have performed a detailed x-ray diffraction structural study of Zr under pressure and unambiguously identify the existence of a first-order isostructural bcc-to-bcc phase transition near 58 GPa. First-principles quantum molecular dynamics calculations support the existence of this phase transition, in excellent agreement with experimental results, triggered by anharmonic effects. Lastly, our results highlight the potential ubiquity of anharmonically driven isostructural transitions within the periodic table under pressure and call for follow-up experimental and theoretical studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Granular bed consolidation, creep, and armoring under subcritical fluid flow

In this work, we show that a freshly sedimented granular bed settles and creeps forward over extended periods of time under an applied hydrodynamic shear stress which is below the critical value for bedload transport. The rearrangements are found to last over a timescale which is millions of times the sedimentation timescale of a grain in the fluid. Compaction occurs uniformly throughout the bed, but creep is observed to decay exponentially with depth and decreases over time. The granular volume fraction in the bed is found to increase logarithmically, saturating at the random close packing value Φ rcp ≈ 0.64, while the surface roughness is observed to remain essentially unchanged. We demonstrate that an increasingly higher shear stress is required to erode the bed, after a subcritical shear is applied, which results in an increase in its volume fraction. Thus, we find that bed armoring occurs due to a deep shear-induced relaxation of the bed toward the volume fraction associated with the glass transition.

58 GEOSCIENCES↗

Bandwidth and Electron Correlation-Tuned Superconductivity in Rb 0.8 Fe 2 ( Se 1 - z S z ) 2

Here, we present a systematic angle-resolved photoemission spectroscopy study of the substitution dependence of the electronic structure of Rb 0.8 Fe 2 (Se 1-z S z ) 2 (z = 0, 0.5, 1), where superconductivity is continuously suppressed into a metallic phase. Going from the nonsuperconducting Rb 0.8 Fe 2 S 2 to superconducting Rb 0.8 Fe 2 Se 2 , we observe little change of the Fermi surface topology, but a reduction of the overall bandwidth by a factor of 2. Hence, for these heavily electron-doped iron chalcogenides, we have identified electron correlation as explicitly manifested in the quasiparticle bandwidth to be the important tuning parameter for superconductivity, and that moderate correlation is essential to achieving high T C .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Rescuing a Quantum Phase Transition with Quantum Noise

In this work, we show that placing a quantum system in contact with an environment can enhance non-Fermi-liquid correlations, rather than destroy quantum effects, as is typical. The system consists of two quantum dots in series with two leads; the highly resistive leads couple charge flow through the dots to the electromagnetic environment, the source of quantum noise. While the charge transport inhibits a quantum phase transition, the quantum noise reduces charge transport and restores the transition. We find a non-Fermi-liquid intermediate fixed point for all strengths of the noise. For strong noise, it is similar to the intermediate fixed point of the two-impurity Kondo model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Torque and Angular-Momentum Transfer in Merging Rotating Bose-Einstein Condensates

When rotating classical fluid drops merge together, angular momentum can be advected from one to another due to the viscous shear flow at the drop interface. It remains elusive what the corresponding mechanism is in inviscid quantum fluids such as Bose-Einstein condensates (BECs). In this work, we report our theoretical study of an initially static BEC merging with a rotating BECin three-dimensional space along the rotational axis. We show that a solitonlike sheet, resembling a corkscrew, spontaneously emerges at the interface. Furthermore, rapid angular momentum transfer at a constant rate universally proportional to the initial angular-momentum density is observed. Strikingly, this transfer does not necessarily involve fluid advection or drifting of the quantized vortices. We reveal that the corkscrew structure can exert a torque that directly creates angular momentum in the static BEC and annihilates angular momentum in the rotating BEC. Uncovering this intriguing angular momentum transport mechanism may benefit our understanding of various coherent matter-wave systems, spanning from atomtronics on chips to dark matter BECs at cosmic scales.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Anomalous Drag in Electron-Hole Condensates with Granulated Order

We explain the strong interlayer drag resistance observed at low temperatures in bilayer electron-hole systems in terms of an interplay between local electron-hole-pair condensation and disorder-induced carrier density variations. Smooth disorder drives the condensate into a granulated phase in which interlayer coherence is established only in well-separated and disconnected regions, or grains, within which the densities of electrons and holes accidentally match. The drag resistance is then dominated by Andreev-like scattering of charge carriers between layers at the grains that transfers momentum between layers. We show that this scenario can account for the observed dependence of the drag resistivity on temperature and, on average, charge imbalance between layers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Covering complete proteomes with X-ray structures: a current snapshot

The current and the attainable coverage by X-ray structures of proteins and their functions on the scale of the ‘protein universe’ are estimated. A detailed analysis of the coverage across nearly 2000 proteomes from all superkingdoms of life and functional annotations is performed, with particular focus on the human proteome and the family of GPCR proteins. Structural genomics programs have developed and applied structure-determination pipelines to a wide range of protein targets, facilitating the visualization of macromolecular interactions and the understanding of their molecular and biochemical functions. The fundamental question of whether three-dimensional structures of all proteins and all functional annotations can be determined using X-ray crystallography is investigated. A first-of-its-kind large-scale analysis of crystallization propensity for all proteins encoded in 1953 fully sequenced genomes was performed. It is shown that current X-ray crystallographic knowhow combined with homology modeling can provide structures for 25% of modeling families (protein clusters for which structural models can be obtained through homology modeling), with at least one structural model produced for each Gene Ontology functional annotation. The coverage varies between superkingdoms, with 19% for eukaryotes, 35% for bacteria and 49% for archaea, and with those of viruses following the coverage values of their hosts. It is shown that the crystallization propensities of proteomes from the taxonomic superkingdoms are distinct. The use of knowledge-based target selection is shown to substantially increase the ability to produce X-ray structures. It is demonstrated that the human proteome has one of the highest attainable coverage values among eukaryotes, and GPCR membrane proteins suitable for X-ray structure determination were determined.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Indexing amyloid peptide diffraction from serial femtosecond crystallography: new algorithms for sparse patterns

Special methods are required to interpret sparse diffraction patterns collected from peptide crystals at X-ray free-electron lasers. Bragg spots can be indexed from composite-image powder rings, with crystal orientations then deduced from a very limited number of spot positions. Still diffraction patterns from peptide nanocrystals with small unit cells are challenging to index using conventional methods owing to the limited number of spots and the lack of crystal orientation information for individual images. New indexing algorithms have been developed as part of the Computational Crystallography Toolbox (cctbx) to overcome these challenges. Accurate unit-cell information derived from an aggregate data set from thousands of diffraction patterns can be used to determine a crystal orientation matrix for individual images with as few as five reflections. These algorithms are potentially applicable not only to amyloid peptides but also to any set of diffraction patterns with sparse properties, such as low-resolution virus structures or high-throughput screening of still images captured by raster-scanning at synchrotron sources. As a proof of concept for this technique, successful integration of X-ray free-electron laser (XFEL) data to 2.5 Å resolution for the amyloid segment GNNQQNY from the Sup35 yeast prion is presented.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Capture and X-ray diffraction studies of protein microcrystals in a microfluidic trap array

A microfluidic platform has been developed for the capture and X-ray analysis of protein microcrystals, affording a means to improve the efficiency of XFEL and synchrotron experiments. X-ray free-electron lasers (XFELs) promise to enable the collection of interpretable diffraction data from samples that are refractory to data collection at synchrotron sources. At present, however, more efficient sample-delivery methods that minimize the consumption of microcrystalline material are needed to allow the application of XFEL sources to a wide range of challenging structural targets of biological importance. Here, a microfluidic chip is presented in which microcrystals can be captured at fixed, addressable points in a trap array from a small volume (<10 µl) of a pre-existing slurry grown off-chip. The device can be mounted on a standard goniostat for conducting diffraction experiments at room temperature without the need for flash-cooling. Proof-of-principle tests with a model system (hen egg-white lysozyme) demonstrated the high efficiency of the microfluidic approach for crystal harvesting, permitting the collection of sufficient data from only 265 single-crystal still images to permit determination and refinement of the structure of the protein. This work shows that microfluidic capture devices can be readily used to facilitate data collection from protein microcrystals grown in traditional laboratory formats, enabling analysis when cryopreservation is problematic or when only small numbers of crystals are available. Such microfluidic capture devices may also be useful for data collection at synchrotron sources.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams

A raster scanning serial protein crystallography approach is presented, that consumes as low ∼200–700 nl of sedimented crystals. New serial data pre-analysis software, NanoPeakCell, is introduced. High-resolution structural information was obtained from lysozyme microcrystals (20 µm in the largest dimension) using raster-scanning serial protein crystallography on micro- and nano-focused beamlines at the ESRF. Data were collected at room temperature (RT) from crystals sandwiched between two silicon nitride wafers, thereby preventing their drying, while limiting background scattering and sample consumption. In order to identify crystal hits, new multi-processing and GUI-driven Python-based pre-analysis software was developed, named NanoPeakCell, that was able to read data from a variety of crystallographic image formats. Further data processing was carried out using CrystFEL, and the resultant structures were refined to 1.7 Å resolution. The data demonstrate the feasibility of RT raster-scanning serial micro- and nano-protein crystallography at synchrotrons and validate it as an alternative approach for the collection of high-resolution structural data from micro-sized crystals. Advantages of the proposed approach are its thriftiness, its handling-free nature, the reduced amount of sample required, the adjustable hit rate, the high indexing rate and the minimization of background scattering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A revised partiality model and post-refinement algorithm for X-ray free-electron laser data

An updated partiality model and post-refinement algorithm for XFEL snapshot diffraction data is presented and confirmed by observing anomalous density for S atoms at an X-ray wavelength of 1.3 Å. Research towards using X-ray free-electron laser (XFEL) data to solve structures using experimental phasing methods such as sulfur single-wavelength anomalous dispersion (SAD) has been hampered by shortcomings in the diffraction models for X-ray diffraction from FELs. Owing to errors in the orientation matrix and overly simple partiality models, researchers have required large numbers of images to converge to reliable estimates for the structure-factor amplitudes, which may not be feasible for all biological systems. Here, data for cytoplasmic polyhedrosis virus type 17 (CPV17) collected at 1.3 Å wavelength at the Linac Coherent Light Source (LCLS) are revisited. A previously published definition of a partiality model for reflections illuminated by self-amplified spontaneous emission (SASE) pulses is built upon, which defines a fraction between 0 and 1 based on the intersection of a reflection with a spread of Ewald spheres modelled by a super-Gaussian wavelength distribution in the X-ray beam. A method of post-refinement to refine the parameters of this model is suggested. This has generated a merged data set with an overall discrepancy (by calculating the R{sub split} value) of 3.15% to 1.46 Å resolution from a 7225-image data set. The atomic numbers of C, N and O atoms in the structure are distinguishable in the electron-density map. There are 13 S atoms within the 237 residues of CPV17, excluding the initial disordered methionine. These only possess 0.42 anomalous scattering electrons each at 1.3 Å wavelength, but the 12 that have single predominant positions are easily detectable in the anomalous difference Fourier map. It is hoped that these improvements will lead towards XFEL experimental phase determination and structure determination by sulfur SAD and will generally increase the utility of the method for difficult cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A high-transparency, micro-patternable chip for X-ray diffraction analysis of microcrystals under native growth conditions

A highly X-ray-transparent, silicon nitride-based device has been designed and fabricated to harvest protein microcrystals for high-resolution X-ray diffraction data collection using microfocus beamlines and XFELs. Microcrystals present a significant impediment to the determination of macromolecular structures by X-ray diffraction methods. Although microfocus synchrotron beamlines and X-ray free-electron lasers (XFELs) can enable the collection of interpretable diffraction data from microcrystals, there is a need for efficient methods of harvesting small volumes (<2 µl) of microcrystals grown under common laboratory formats and delivering them to an X-ray beam source under native growth conditions. One approach that shows promise in overcoming the challenges intrinsic to microcrystal analysis is to pair so-called ‘fixed-target’ sample-delivery devices with microbeam-based X-ray diffraction methods. However, to record weak diffraction patterns it is necessary to fabricate devices from X-ray-transparent materials that minimize background scattering. Presented here is the design of a new micro-diffraction device consisting of three layers fabricated from silicon nitride, photoresist and polyimide film. The chip features low X-ray scattering and X-ray absorption properties, and uses a customizable blend of hydrophobic and hydrophilic surface patterns to help localize microcrystals to defined regions. Microcrystals in their native growth conditions can be loaded into the chips with a standard pipette, allowing data collection at room temperature. Diffraction data collected from hen egg-white lysozyme microcrystals (10–15 µm) loaded into the chips yielded a complete, high-resolution (<1.6 Å) data set sufficient to determine a high-quality structure by molecular replacement. The features of the chip allow the rapid and user-friendly analysis of microcrystals grown under virtually any laboratory format at microfocus synchrotron beamlines and XFELs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structure of the human MLH1 N-terminus: implications for predisposition to Lynch syndrome

Mismatch repair prevents the accumulation of erroneous insertions/deletions and non-Watson–Crick base pairs in the genome. Pathogenic mutations in the MLH1 gene are associated with a predisposition to Lynch and Turcot's syndromes. Although genetic testing for these mutations is available, robust classification of variants requires strong clinical and functional support. Here, the first structure of the N-terminus of human MLH1, determined by X-ray crystallography, is described. Lastly, the structure shares a high degree of similarity with previously determined prokaryotic MLH1 homologs; however, this structure affords a more accurate platform for the classification of MLH1 variants.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗