• A 1.8 trillion degrees-of-freedom, 1.24 petaflops global seismic wave simulation on the K computer

      Tsuboi, Seiji; Ando, Kazuto; Miyoshi, Takayuki; Peter, Daniel; Komatitsch, Dimitri; Tromp, Jeroen (SAGE Publications, 2016-03-01)
      We present high-performance simulations of global seismic wave propagation with an unprecedented accuracy of 1.2 s seismic period for a realistic three-dimensional Earth model using the spectral element method on the K computer. Our seismic simulations use a total of 665.2 billion grid points and resolve 1.8 trillion degrees of freedom. To realize these large-scale computations, we optimize a widely used community software code to efficiently address all hardware parallelization, especially thread-level parallelization to solve the bottleneck of memory usage for coarse-grained parallelization. The new code exhibits excellent strong scaling for the time stepping loop, that is, parallel efficiency on 82,134 nodes relative to 36,504 nodes is 99.54%. Sustained performance of these computations on the K computer is 1.24 petaflops, which is 11.84% of its peak performance. The obtained seismograms with an accuracy of 1.2 s for the entire globe should help us to better understand rupture mechanisms of devastating earthquakes.
    • 10-fold enhancement in light-driven water splitting using niobium oxynitride microcone array films

      Shaheen, Basamat; Hafez, Ahmed M.; Banavoth, Murali; Kirmani, Ahmad R.; Amassian, Aram; Mohammed, Omar F.; Allam, Nageh K. (Elsevier BV, 2016-03-26)
      We demonstrate, for the first time, the synthesis of highly ordered niobium oxynitride microcones as an attractive class of materials for visible-light-driven water splitting. As revealed by the ultraviolet photoelectron spectroscopy (UPS), photoelectrochemical and transient photocurrent measurements, the microcones showed enhanced performance (~1000% compared to mesoporous niobium oxide) as photoanodes for water splitting with remarkable stability and visible light activity. © 2016 Elsevier B.V. All rights reserved.
    • 100-nm thick single-phase wurtzite BAlN films with boron contents over 10%

      Li, Xiaohang; Wang, Shuo; Liu, Hanxiao; Ponce, Fernando A.; Detchprohm, Theeradetch; Dupuis, Russell D. (Wiley-Blackwell, 2017-01-11)
      Growing thicker BAlN films while maintaining single-phase wurtzite structure and boron content over 10% has been challenging. In this study, we report on the growth of 100 nm-thick single-phase wurtzite BAlN films with boron contents up to 14.4% by MOCVD. Flow-modulated epitaxy was employed to increase diffusion length of group-III atoms and reduce parasitic reactions between the metalorganics and NH3. A large growth efficiency of ∼2000 μm mol−1 was achieved as a result. Small B/III ratios up to 17% in conjunction with high temperatures up to 1010 °C were utilized to prevent formation of the cubic phase and maintain wurtzite structure.
    • 1057 Vemurafenib acts as an aryl hydrocarbon receptor antagonist

      Hawerkamp, H.C.; Kislat, A.; Gerber, P.; Pollet, M.; Soshilov, A.A.; Denison, M.S.; Momin, A.A.; Arold, Stefan T.; Datsi, A.; Braun, S.A.; Lacouture, M.E.; Haarmann-Stemmann, T.; Homey, B.; Meller, S. (Elsevier BV, 2018-04-19)
    • 14.1% Efficient Monolithically Integrated Solar Flow Battery

      Li, Wenjie; Fu, Hui-chun; Zhao, Yuzhou; He, Jr-Hau; Jin, Song (Elsevier BV, 2018-09-27)
      Summary Challenges posed by the intermittency of solar energy source necessitate the integration of solar energy conversion with scalable energy storage systems. The monolithic integration of photoelectrochemical solar energy conversion and electrochemical energy storage offers an efficient and compact approach toward practical solar energy utilization. Here, we present the design principles for and the demonstration of a highly efficient integrated solar flow battery (SFB) device with a record solar-to-output electricity efficiency of 14.1%. Such SFB devices can be configured to perform all the requisite functions from solar energy harvest to electricity redelivery without external bias. Capitalizing on high-efficiency and high-photovoltage tandem III-V photoelectrodes that are properly matched with high-cell-voltage redox flow batteries and carefully designed flow field architecture, we reveal the general design principles for efficient SFBs. These results will enable a highly efficient approach for practical off-grid solar utilization and electrification.
    • 16.1% Efficient Hysteresis-Free Mesostructured Perovskite Solar Cells Based on Synergistically Improved ZnO Nanorod Arrays

      Mahmood, Khalid; Swain, Bhabani Sankar; Amassian, Aram (Wiley-Blackwell, 2015-06)
      Significant efficiency improvements are reported in mesoscopic perovskite solar cells based on the development of a low-temperature solution-processed ZnO nanorod (NR) array exhibiting higher NR aspect ratio, enhanced electron density, and substantially reduced work function than conventional ZnO NRs. These features synergistically result in hysteresis-free, scan-independent, and stabilized devices with an efficiency of 16.1%. Electron-rich, nitrogen-doped ZnO (N:ZnO) NR-based electron transporting materials (ETMs) with enhanced electron mobility produced using ammonium acetate show consistently higher efficiencies by one to three power points than undoped ZnO NRs. Additionally, the preferential electrostatic interaction between the -nonpolar facets of N:ZnO and the conjugated polyelectrolyte polyethylenimine (PEI) has been relied on to promote the hydrothermal growth of high aspect ratio NR arrays and substantially improve the infiltration of the perovskite light absorber into the ETM. Using the same interactions, a conformal PEI coating on the electron-rich high aspect ratio N:ZnO NR arrays is -successfully applied, resulting in a favorable work function shift and altogether leading to the significant boost in efficiency from <10% up to >16%. These results largely surpass the state-of-the-art PCE of ZnO-based perovskite solar cells and highlight the benefits of synergistically combining mesoscale control with doping and surface modification. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
    • 17β estradiol regulation of connexin 43-based gap junction and mechanosensitivity through classical estrogen receptor pathway in osteocyte-like MLO-Y4 cells.

      Ren, Jian; Wang, Xuhui; Wang, Guangchao; Wu, Junhua (Elsevier, 2013-04)
      Connexin 43 (Cx43) plays an essential role in osteocyte mechanotransduction. Although estrogen involves in the adaptive responses of bone cells to mechanical loadings, its effects on osteocytic Cx43-based gap junction intercellular communication (GJIC) remain obscure. We found that 17β estradiol (E2) up-regulated Cx43, and enhanced GJIC in osteocyte-like MLO-Y4 cells in fluorescence recovery after photobleaching (FRAP) assay. Combination of E2 pre-treatment and oscillating fluid flow (OFF) further enhanced Cx43 expression and mitogen-activated protein kinase (MAPK) phosphorylation, comparing to E2 or OFF treatment alone. Both blocking of classical estrogen receptors (ERα/β) by fulvestrant and ERα knockdown by small interfering RNA inhibited E2-mediated Cx43 increase, while a GPR30-specific agonist G-1 failed to promote Cx43 expression. Our results suggest that the presence of E2 enhanced Cx43-based GJIC mainly via ERα/β pathway, and sensitized osteocytes to mechanical loading. © 2012 Elsevier Inc. All rights reserved.
    • 17β-estradiol rapidly activates calcium release from intracellular stores via the GPR30 pathway and MAPK phosphorylation in osteocyte-like MLO-Y4 cells

      Ren, Jian; Wu, Junhua (Springer Nature, 2012-03-06)
      Estrogen regulates critical cellular functions, and its deficiency initiates bone turnover and the development of bone mass loss in menopausal females. Recent studies have demonstrated that 17β-estradiol (E 2) induces rapid non-genomic responses that activate downstream signaling molecules, thus providing a new perspective to understand the relationship between estrogen and bone metabolism. In this study, we investigated rapid estrogen responses, including calcium release and MAPK phosphorylation, in osteocyte-like MLO-Y4 cells. E 2 elevated [Ca 2+] i and increased Ca 2+ oscillation frequency in a dose-dependent manner. Immunolabeling confirmed the expression of three estrogen receptors (ERα, ERβ, and G protein-coupled receptor 30 [GPR30]) in MLO-Y4 cells and localized GPR30 predominantly to the plasma membrane. E 2 mobilized calcium from intracellular stores, and the use of selective agonist(s) for each ER showed that this was mediated mainly through the GPR30 pathway. MAPK phosphorylation increased in a biphasic manner, with peaks occurring after 7 and 60 min. GPR30 and classical ERs showed different temporal effects on MAPK phosphorylation and contributed to MAPK phosphorylation sequentially. ICI182,780 inhibited E 2 activation of MAPK at 7 min, while the GPR30 agonist G-1 and antagonist G-15 failed to affect MAPK phosphorylation levels. G-1-mediated MAPK phosphorylation at 60 min was prevented by prior depletion of calcium stores. Our data suggest that E 2 induces the non-genomic responses Ca 2+ release and MAPK phosphorylation to regulate osteocyte function and indicate that multiple receptors mediate rapid E 2 responses. © 2012 Springer Science+Business Media, LLC.
    • 1D goes 2D: A Berezinskii-Kosterlitz-Thouless transition in superconducting arrays of 4-Angstrom carbon nanotubes

      Wang, Zhe; Shi, Wu; Xie, Hang; Zhang, Ting; Wang, Ning; Tang, Zikang; Zhang, Xixiang; Lortz, Rolf W.; Sheng, Ping (Wiley-Blackwell, 2010-10-01)
      We report superconducting resistive transition characteristics for array(s) of coupled 4-Angstrom single wall carbon nanotubes embedded in aluminophosphate-five zeolite. The transition was observed to initiate at 15 K with a slow resistance decrease switching to a sharp, order of magnitude drop between 7.5 and 6.0 K with strong (anisotropic) magnetic field dependence. Both the sharp resistance drop and its attendant nonlinear IV characteristics are consistent with the manifestations of a Berezinskii-Kosterlitz-Thouless transition that establishes quasi long range order in the plane transverse to the c-axis of the nanotubes, leading to an inhomogeneous system comprising 3D superconducting regions connected by weak links. Global coherence is established at below 5 K with the appearance of a well-defined supercurrent gap/low resistance region at 2 K. © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
    • 1H NMR study of the solvent THF concerning their structural and dynamical properties in chemically Li-intercalated SWNT

      Schmid, Marc R.; Goze-Bac, Christophe; Bouhrara, Mohamed; Saih, Youssef; Mehring, Michael; Abou-Hamad, Edy (Elsevier BV, 2011-09)
      Structural and dynamical properties of the THF solvent in single-walled carbon nanotubes intercalated with lithium are investigated by NMR. 1H NMR experiments reveal the existence of two types of inequivalent THF solvent molecules with different chemical environments and dynamical behavior. At low temperatures THF molecules perpendicularly arranged in between adjacent SWNT presumably exhibit a restricted rotation around their dipolar axis. At higher temperatures THF molecules are isotropically rotating and diffusing along the interstitial channels of the SWNT bundles. © 2011 Elsevier B.V. All rights reserved.
    • 2 Gbit/s data transmission from an unfiltered laser-based phosphor-converted white lighting communication system

      Lee, Changmin; Shen, Chao; Oubei, Hassan M.; Cantore, Michael; Janjua, Bilal; Ng, Tien Khee; Farrell, Robert M.; El-Desouki, Munir M.; Speck, James S.; Nakamura, Shuji; Ooi, Boon S.; DenBaars, Steven P. (The Optical Society, 2015-11-05)
      We demonstrate data transmission of unfiltered white light generated by direct modulation of a blue gallium nitride (GaN) laser diode (LD) exciting YAG:Ce phosphors. 1.1 GHz of modulation bandwidth was measured without a limitation from the slow 3.8 MHz phosphor response. A high data transmission rate of 2 Gbit/s was achieved without an optical blue-filter using a non-return-to-zero on-off keying (NRZ-OOK) modulation scheme. The measured bit error rate (BER) of 3.50 × 10−3 was less than the forward error correction (FEC) limit of 3.8 × 10−3. The generated white light exhibits CIE 1931 chromaticity coordinates of (0.3628, 0.4310) with a color rendering index (CRI) of 58 and a correlated color temperature (CCT) of 4740 K when the LD was operated at 300 mA. The demonstrated laser-based lighting system can be used simultaneously for indoor broadband access and illumination applications with good color stability.
    • 2,1,3-benzothiadiazole-5,6-dicarboxylic imide - A versatile building block for additive- and annealing-free processing of organic solar cells with effi ciencies exceeding 8%

      Nielsen, Christian Bergenstof; Ashraf, Raja Shahid; Treat, Neil D.; Schroeder, Bob C.; Donaghey, Jenny E.; White, Andrew J P; Stingelin, Natalie; McCulloch, Iain (Wiley-Blackwell, 2014-12-15)
      A new photoactive polymer comprising benzo[1,2-b:3,4-b′:5,6-d′]trithiophene and 2,1,3-benzothiadiazole-5,6-dicarboxylic imide is reported. The synthetic design allows for alkyl chains to be introduced on both electron-rich and electron-deficient components, which in turn allows for rapid optimization of the alkyl chain substitution pattern. Consequently, the optimized polymer shows a maximum efficiency of 8.3% in organic photovoltaic devices processed in commercially viable fashion without solvent additives, annealing, or device engineering.
    • 2-Methylfuran: A bio-derived octane booster for spark-ignition engines

      Sarathy, Mani; Shankar, Vijai; Tripathi, Rupali; Pitsch, Heinz; Sarathy, Mani (Elsevier BV, 2018-04-02)
      The efficiency of spark-ignition engines is limited by the phenomenon of knock, which is caused by auto-ignition of the fuel-air mixture ahead of the spark-initiated flame front. The resistance of a fuel to knock is quantified by its octane index; therefore, increasing the octane index of a spark-ignition engine fuel increases the efficiency of the respective engine. However, raising the octane index of gasoline increases the refining costs, as well as the energy consumption during production. The use of alternative fuels with synergistic blending effects presents an attractive option for improving octane index. In this work, the octane enhancing potential of 2-methylfuran (2-MF), a next-generation biofuel, has been examined and compared to other high-octane components (i.e., ethanol and toluene). A primary reference fuel with an octane index of 60 (PRF60) was chosen as the base fuel since it closely represents refinery naphtha streams, which are used as gasoline blend stocks. Initial screening of the fuels was done in an ignition quality tester (IQT). The PRF60/2-MF (80/20 v/v%) blend exhibited longer ignition delay times compared to PRF60/ethanol (80/20 v/v%) blend and PRF60/toluene (80/20 v/v%) blend, even though pure 2-MF is more reactive than both ethanol and toluene. The mixtures were also tested in a cooperative fuels research (CFR) engine under research octane number and motor octane number like conditions. The PRF60/2-MF blend again possesses a higher octane index than other blending components. A detailed chemical kinetic analysis was performed to understand the synergetic blending effect of 2-MF, using a well-validated PRF/2-MF kinetic model. Kinetic analysis revealed superior suppression of low-temperature chemistry with the addition of 2-MF. The results from simulations were further confirmed by homogeneous charge compression ignition engine experiments, which established its superior low-temperature heat release (LTHR) suppression compared to ethanol, resulting in better blending octane numbers. This work explores and provides a chemically sound explanation for the potential of 2-MF as an octane enhancer.
    • 2-periodic metal-organic frameworks (MOFs) as supermolecular building layers (SBLs) for making targeted 3-periodic MOFs

      Eddaoudi, Mohamed; Eubank, Jarrod F. (2015-09-22)
      Embodiments of the present disclosure provide for chemical assemblies, multidimensional metal-organic frameworks (MOFs), supermolecular building layers (SBLs), inorganic molecular building blocks (MBBs), organic MBBs (designed ligands), methods of making each, and methods of using each, and the like. In an embodiment, the composition can be used in catalysis, separations, gas storage, and drug delivery.
    • 2.3 Gbit/s underwater wireless optical communications using directly modulated 520 nm laser diode

      Oubei, Hassan M.; Li, Changping; Park, Kihong; Ng, Tien Khee; Alouini, Mohamed-Slim; Ooi, Boon S. (The Optical Society, 2015-07-30)
      We experimentally demonstrate a record high-speed underwater wireless optical communication (UWOC) over 7 m distance using on-off keying non-return-to-zero (OOK-NRZ) modulation scheme. The communication link uses a commercial TO-9 packaged pigtailed 520 nm laser diode (LD) with 1.2 GHz bandwidth as the optical transmitter and an avalanche photodiode (APD) module as the receiver. At 2.3 Gbit/s transmission, the measured bit error rate of the received data is 2.23×10−4, well below the forward error correction (FEC) threshold of 2×10−3 required for error-free operation. The high bandwidth of the LD coupled with high sensitivity APD and optimized operating conditions is the key enabling factor in obtaining high bit rate transmission in our proposed system. To the best of our knowledge, this result presents the highest data rate ever achieved in UWOC systems thus far.
    • 20-meter underwater wireless optical communication link with 15 Gbps data rate

      Shen, Chao; Guo, Yujian; Oubei, Hassan M.; Ng, Tien Khee; Liu, Guangyu; Park, Kihong; Ho, Kang-Ting; Alouini, Mohamed-Slim; Ooi, Boon S. (The Optical Society, 2016-10-24)
      The video streaming, data transmission, and remote control in underwater call for high speed (Gbps) communication link with a long channel length (∼10 meters). We present a compact and low power consumption underwater wireless optical communication (UWOC) system utilizing a 450-nm laser diode (LD) and a Si avalanche photodetector. With the LD operating at a driving current of 80 mA with an optical power of 51.3 mW, we demonstrated a high-speed UWOC link offering a data rate up to 2 Gbps over a 12-meter-long, and 1.5 Gbps over a record 20-meter-long underwater channel. The measured bit-error rate (BER) are 2.8 × 10-5, and 3.0 × 10-3, respectively, which pass well the forward error correction (FEC) criterion. © 2016 Optical Society of America.
    • The 2007-8 volcanic eruption on Jebel at Tair island (Red Sea) observed by satellite radar and optical images

      Xu, Wenbin; Jonsson, Sigurjon (Springer Nature, 2014-01-31)
      We use high-resolution optical images and Interferometric Synthetic Aperture Radar (InSAR) data to study the September 2007-January 2008 Jebel at Tair eruption. Comparison of pre- and post-eruption optical images reveals several fresh ground fissures, a new scoria cone near the summit, and that 5.9 ± 0.1 km2 of new lava covered about half of the island. Decorrelation in the InSAR images indicates that lava flowed both to the western and to the northeastern part of the island after the start of the eruption, while later lavas were mainly deposited near the summit and onto the north flank of the volcano. From the InSAR data, we also estimate that the average thickness of the lava flows is 3.8 m, resulting in a bulk volume of around 2.2 × 107 m3. We observe no volcano-wide pre- or post-eruption uplift, which suggests that the magma source may be deep. The co-eruption interferograms, on the other hand, reveal local and rather complex deformation. We use these observations to constrain a tensile dislocation model that represents the dike intrusion that fed the eruption. The model results show that the orientation of the dike is perpendicular to the Red Sea rift, implying that the local stresses within the volcanic edifice are decoupled from the regional stress field. © 2014 Springer-Verlag Berlin Heidelberg.
    • (-201) β-Gallium oxide substrate for high quality GaN materials

      Roqan, Iman S.; Mumthaz Muhammed, Mufasila (SPIE-Intl Soc Optical Eng, 2015-03-13)
      (-201) oriented β-Ga2O3 has the potential to be used as a transparent and conductive substrate for GaN-growth. The key advantages of Ga2O3 are its small lattice mismatches (4.7%), appropriate structural, thermal and electrical properties and a competitive price compared to other substrates. Optical characterization show that GaN layers grown on (-201) oriented β-Ga2O3 are dominated by intense bandedge emission with a high luminescence efficiency. Atomic force microscopy studies show a modest threading dislocation density of ~108 cm-2, while complementary Raman spectroscopy indicates that the GaN epilayer is of high quality with slight compressive strain. Room temperature time-findings suggest that the limitation of the photoluminescence lifetime (~500 ps) is due to nonradiative recombination arising from threading dislocation. Therefore, by optimizing the growth conditions, high quality material with significant optical efficiency can be obtained.
    • 2011 IEEE Visualization Contest Winner: Visualizing Unsteady Vortical Behavior of a Centrifugal Pump

      Otto, Mathias; Kuhn, Alexander; Engelke, Wito; Theisel, Holger (Institute of Electrical and Electronics Engineers (IEEE), 2012-09)
      In the 2011 IEEE Visualization Contest, the dataset represented a high-resolution simulation of a centrifugal pump operating below optimal speed. The goal was to find suitable visualization techniques to identify regions of rotating stall that impede the pump's effectiveness. The winning entry split analysis of the pump into three parts based on the pump's functional behavior. It then applied local and integration-based methods to communicate the unsteady flow behavior in different regions of the dataset. This research formed the basis for a comparison of common vortex extractors and more recent methods. In particular, integration-based methods (separation measures, accumulated scalar fields, particle path lines, and advection textures) are well suited to capture the complex time-dependent flow behavior. This video (http://youtu.be/ oD7QuabY0oU) shows simulations of unsteady flow in a centrifugal pump. © 2012 IEEE.
    • The 2014 Mw 6.1 South Napa Earthquake: A unilateral rupture with shallow asperity and rapid afterslip

      Wei, Shengji; Barbot, Sylvain; Graves, Robert W.; Lienkaemper, James J.; Wang, Teng; Hudnut, Kenneth W.; Fu, Yuning; Helmberger, Don V. (Seismological Society of America (SSA), 2015-03-01)