Science.gov

Sample records for 2-d core-concrete interaction

  1. OECD/MCCI 2-D Core Concrete Interaction (CCI) tests : final report February 28, 2006.

    SciTech Connect

    Farmer, M. T.; Lomperski, S.; Kilsdonk, D. J.; Aeschlimann, R. W.; Basu, S.

    2011-05-23

    reactor material database for dry cavity conditions is solely one-dimensional. Although the MACE Scoping Test was carried out with a two-dimensional concrete cavity, the interaction was flooded soon after ablation was initiated to investigate debris coolability. Moreover, due to the scoping nature of this test, the apparatus was minimally instrumented and therefore the results are of limited value from the code validation viewpoint. Aside from the MACE program, the COTELS test series also investigated 2-D CCI under flooded cavity conditions. However, the input power density for these tests was quite high relative to the prototypic case. Finally, the BETA test series provided valuable data on 2-D core concrete interaction under dry cavity conditions, but these tests focused on investigating the interaction of the metallic (steel) phase with concrete. Due to these limitations, there is significant uncertainty in the partition of energy dissipated for the ablation of concrete in the lateral and axial directions under dry cavity conditions for the case of a core oxide melt. Accurate knowledge of this 'power split' is important in the evaluation of the consequences of an ex-vessel severe accident; e.g., lateral erosion can undermine containment structures, while axial erosion can penetrate the basemat, leading to ground contamination and/or possible containment bypass. As a result of this uncertainty, there are still substantial differences among computer codes in the prediction of 2-D cavity erosion behavior under both wet and dry cavity conditions. In light of the above issues, the OECD-sponsored Melt Coolability and Concrete Interaction (MCCI) program was initiated at Argonne National Laboratory. The project conducted reactor materials experiments and associated analysis to achieve the following technical objectives: (1) resolve the ex-vessel debris coolability issue through a program that focused on providing both confirmatory evidence and test data for the coolability

  2. OECD 2-D Core Concrete Interaction (CCI) tests : CCI-2 test plan, Rev. 0 January 31, 2004.

    SciTech Connect

    Farmer, M. T.; Kilsdonk, D. J.; Lomperski, S.; Aeschlimann, R. W.; Basu, S.

    2011-05-23

    The Melt Attack and Coolability Experiments (MACE) program addressed the issue of the ability of water to cool and thermally stabilize a molten core-concrete interaction when the reactants are flooded from above. These tests provided data regarding the nature of corium interactions with concrete, the heat transfer rates from the melt to the overlying water pool, and the role of noncondensable gases in the mixing processes that contribute to melt quenching. As a follow-on program to MACE, The Melt Coolability and Concrete Interaction Experiments (MCCI) project is conducting reactor material experiments and associated analysis to achieve the following objectives: (1) resolve the ex-vessel debris coolability issue through a program that focuses on providing both confirmatory evidence and test data for the coolability mechanisms identified in MACE integral effects tests, and (2) address remaining uncertainties related to long-term two-dimensional molten core-concrete interactions under both wet and dry cavity conditions. Achievement of these two program objectives will demonstrate the efficacy of severe accident management guidelines for existing plants, and provide the technical basis for better containment designs for future plants. In terms of satisfying these objectives, the Management Board (MB) approved the conduct of two long-term 2-D Core-Concrete Interaction (CCI) experiments designed to provide information in several areas, including: (i) lateral vs. axial power split during dry core-concrete interaction, (ii) integral debris coolability data following late phase flooding, and (iii) data regarding the nature and extent of the cooling transient following breach of the crust formed at the melt-water interface. The first of these two tests, CCI-1, was conducted on December 19, 2003. This test investigated the interaction of a fully oxidized 400 kg PWR core melt, initially containing 8 wt % calcined siliceous concrete, with a specially designed two

  3. OECD MCCI project 2-D Core Concrete Interaction (CCI) tests : CCI-3 test data report-thermalhydraulic results. Rev. 0 October 15, 2005.

    SciTech Connect

    Farmer, M. T.; Lomperski, S.; Kilsdonk, D. J.; Aeschlimann, R. W.; Basu, S.

    2011-05-23

    The Melt Attack and Coolability Experiments (MACE) program addressed the issue of the ability of water to cool and thermally stabilize a molten core-concrete interaction when the reactants are flooded from above. These tests provided data regarding the nature of corium interactions with concrete, the heat transfer rates from the melt to the overlying water pool, and the role of noncondensable gases in the mixing processes that contribute to melt quenching. As a follow-on program to MACE, The Melt Coolability and Concrete Interaction Experiments (MCCI) project is conducting reactor material experiments and associated analysis to achieve the following objectives: (1) resolve the ex-vessel debris coolability issue through a program that focuses on providing both confirmatory evidence and test data for the coolability mechanisms identified in MACE integral effects tests, and (2) address remaining uncertainties related to long-term two-dimensional molten core-concrete interactions under both wet and dry cavity conditions. Achievement of these two program objectives will demonstrate the efficacy of severe accident management guidelines for existing plants, and provide the technical basis for better containment designs for future plants. In terms of satisfying these objectives, the Management Board (MB) approved the conduct of a third long-term 2-D Core-Concrete Interaction (CCI) experiment designed to provide information in several areas, including: (i) lateral vs. axial power split during dry core-concrete interaction, (ii) integral debris coolability data following late phase flooding, and (iii) data regarding the nature and extent of the cooling transient following breach of the crust formed at the melt-water interface. This data report provides thermal hydraulic test results from the CCI-3 experiment, which was conducted on September 22, 2005. Test specifications for CCI-3 are provided in Table 1-1. This experiment investigated the interaction of a fully oxidized 375

  4. OECD MCCI 2-D Core Concrete Interaction (CCI) tests : CCI-2 test data report-thermalhydraulic results, Rev. 0 October 15, 2004.

    SciTech Connect

    Farmer, M. T.; Lomperski, S.; Kilsdonk, D. J.; Aeschlimann, R. W.; Basu, S.

    2011-05-23

    The Melt Attack and Coolability Experiments (MACE) program addressed the issue of the ability of water to cool and thermally stabilize a molten core-concrete interaction when the reactants are flooded from above. These tests provided data regarding the nature of corium interactions with concrete, the heat transfer rates from the melt to the overlying water pool, and the role of noncondensable gases in the mixing processes that contribute to melt quenching. As a follow-on program to MACE, The Melt Coolability and Concrete Interaction Experiments (MCCI) project is conducting reactor material experiments and associated analysis to achieve the following objectives: (1) resolve the ex-vessel debris coolability issue through a program that focuses on providing both confirmatory evidence and test data for the coolability mechanisms identified in MACE integral effects tests, and (2) address remaining uncertainties related to long-term two-dimensional molten core-concrete interactions under both wet and dry cavity conditions. Achievement of these two program objectives will demonstrate the efficacy of severe accident management guidelines for existing plants, and provide the technical basis for better containment designs for future plants. In terms of satisfying these objectives, the Management Board (MB) approved the conduct of two long-term 2-D Core-Concrete Interaction (CCI) experiments designed to provide information in several areas, including: (i) lateral vs. axial power split during dry core-concrete interaction, (ii) integral debris coolability data following late phase flooding, and (iii) data regarding the nature and extent of the cooling transient following breach of the crust formed at the melt-water interface. This data report provides thermal hydraulic test results from the CCI-2 experiment, which was conducted on August 24, 2004. Test specifications for CCI-2 are provided in Table 1-1. This experiment investigated the interaction of a fully oxidized 400 kg

  5. OECD MMCI 2-D Core Concrete Interaction (CCI) tests : CCCI-1 test data report-thermalhydraulic results. Rev 0 January 31, 2004.

    SciTech Connect

    Farmer, M. T.; Lomperski, S.; Aeschlimann, R. W.; Basu, S.

    2011-05-23

    The Melt Attack and Coolability Experiments (MACE) program addressed the issue of the ability of water to cool and thermally stabilize a molten core-concrete interaction when the reactants are flooded from above. These tests provided data regarding the nature of corium interactions with concrete, the heat transfer rates from the melt to the overlying water pool, and the role of noncondensable gases in the mixing processes that contribute to melt quenching. As a follow-on program to MACE, The Melt Coolability and Concrete Interaction Experiments (MCCI) project is conducting reactor material experiments and associated analysis to achieve the following objectives: (1) resolve the ex-vessel debris coolability issue through a program that focuses on providing both confirmatory evidence and test data for the coolability mechanisms identified in MACE integral effects tests, and (2) address remaining uncertainties related to long-term two-dimensional molten coreconcrete interactions under both wet and dry cavity conditions. Achievement of these two program objectives will demonstrate the efficacy of severe accident management guidelines for existing plants, and provide the technical basis for better containment designs for future plants. In terms of satisfying these objectives, the Management Board (MB) approved the conduct of two long-term 2-D Core-Concrete Interaction (CCI) experiments designed to provide information in several areas, including: (i) lateral vs. axial power split during dry core-concrete interaction, (ii) integral debris coolability data following late phase flooding, and (iii) data regarding the nature and extent of the cooling transient following breach of the crust formed at the melt-water interface. This data report provides thermal hydraulic test results from the CCI-1 experiment, which was conducted on December 19, 2003. Test specifications for CCI-1 are provided in Table 1-1. This experiment investigated the interaction of a fully oxidized 400 kg

  6. Independent analysis of selected core-concrete interaction and fission product release experiments with CORCON-MOD2 and VANESA

    SciTech Connect

    Greene, G.A.; Sanborn, Y.

    1986-01-01

    The discrepancies between experimental findings and the Reactor Safety Study predictions, as well as the rapidly developing data base enabling phenomenological modeling of core-concrete interactions and ex-vessel fission product release, have prompted the development of several new computer models of core-concrete interactions and fission product release during severe accidents. Two such models are the CORCON-MOD2 model of core-concrete interactions and the VANESA model of ex-vessel aerosol and fission product release during core-concrete interactions. The final judge on the adequacy of the development of models of core debris-concrete interactions is, of course, comparison of the model predictions with the results of experiments. The research into ex-vessel core debris behavior differs from research into many aspects of reactor accidents in that there are many experimental results for comparison. Comparisons of code predictions with results of tests using realistic temperatures and conditions should provide an indication of the progress that has been made and, with appropriately chosen tests, an indication of work that needs to be done. 9 refs., 6 figs., 5 tabs.

  7. CORCON-MOD3: An integrated computer model for analysis of molten core-concrete interactions. User`s manual

    SciTech Connect

    Bradley, D.R.; Gardner, D.R.; Brockmann, J.E.; Griffith, R.O.

    1993-10-01

    The CORCON-Mod3 computer code was developed to mechanistically model the important core-concrete interaction phenomena, including those phenomena relevant to the assessment of containment failure and radionuclide release. The code can be applied to a wide range of severe accident scenarios and reactor plants. The code represents the current state of the art for simulating core debris interactions with concrete. This document comprises the user`s manual and gives a brief description of the models and the assumptions and limitations in the code. Also discussed are the input parameters and the code output. Two sample problems are also given.

  8. Scoping assessments of ATF impact on late-stage accident progression including molten core-concrete interaction

    NASA Astrophysics Data System (ADS)

    Farmer, M. T.; Leibowitz, L.; Terrani, K. A.; Robb, K. R.

    2014-05-01

    Simple scoping models that can be used to evaluate ATF performance under severe accident conditions have been developed. The methodology provides a fundamental technical basis (a.k.a. metric) based on the thermodynamic boundary for evaluating performance relative to that of traditional Zr-based claddings. The initial focus in this study was on UO2 fuel with the advanced claddings 310 SS, D9, FeCrAl, and SiC. The evaluation considered only energy release with concurrent combustible gas production from fuel-cladding-coolant interactions and, separately, molten core-concrete interactions at high temperatures. Other important phenomenological effects that can influence the rate and extent of cladding decomposition (e.g., eutectic interactions, degradation of other core constituents) were not addressed. For the cladding types addressed, potential combustible gas production under both in-vessel and ex-vessel conditions was similar to that for Zr. However, exothermic energy release from cladding oxidation was substantially less for iron-based alloys (by at least a factor of 4), and modestly less (by ∼20%) for SiC. Data on SiC-clad UO2 fuel performance under severe accident conditions are sparse in the literature; thus, assumptions on the nature of the cladding decomposition process were made in order to perform this initial screening evaluation. Experimental data for this system under severe accident conditions is needed for a proper evaluation and comparison to iron-based claddings.

  9. Core-concrete interactions using molten UO sub 2 with zirconium on a basaltic basemat: The SURC-2 experiment

    SciTech Connect

    Copus, E.R.; Brockmann, J.E.; Simpson, R.B.; Lucero, D.A. ); Blose, R.E. )

    1992-08-01

    An inductively heated experiment, SURC-2, using prototypic U0{sub 2}-ZrO{sub 2} materials was executed as part of the Integral Core-Concrete Interactions Experiments Program. The purpose of this experimental program was to measure and assess the variety of source terms produced during core debris/concrete interactions. These source terms include thermal energy released to both the reactor basemat and the containment environment, as well as flammable gas, condensable vapor and toxic or radioactive aerosols generated during the course of a severe reactor accident. The SURC-2 experiment eroded a total of 35 cm of basaltic concrete during 160 minutes of sustained interaction using 203.9 kg of prototypic U0{sub 2}-ZrO{sub 2} core debris material that included 18 kg of Zr metal and 3.4 kg of fission product simulants. The meltpool temperature ranged from 2400--1900{degrees}C during the first 50 minutes of the test followed by steady temperatures of 1750--1800{degrees}C during the middle portion of the test and increased temperatures of 1800--1900{degrees}C during the final 50 minutes of testing. The total erosion during the first 50 minutes was 15 cm with an additional 7 cm during the middle part of the test and 13 cm of ablation during the final 50 minutes. Comprehensive gas flowrates, gas compositions, and aerosol release rates were also measured during the SURC-2 test. When combined with the SURC-1 results, SURC-2 forms a complete data base for prototypic U0{sub 2}-ZrO{sub 2} core debris interactions with concrete.

  10. Experimental results of core-concrete interactions using molten steel with zirconium

    SciTech Connect

    Copus, E.R.; Blose, R.E.; Brockmann, J.E.; Gomez, R.D.; Lucero, D.A. )

    1990-07-01

    Four inductively sustained experiments, QT-D, QT-E, SURC-3, and SURC-3A, were performed in order to investigate the additional effects of zirconium metal oxidation on core debris-concrete interactions using molten stainless steel as the core debris simulant. The QT-D experiment ablated 18 cm of concrete axially during 50 minutes of interaction on limestone-common sand concrete using a 10 kg charge of 304 stainless steel to which 2 kg of zirconium metal was added subsequent to the onset of erosion. The QT-E experiment ablated 10 cm of limestone-common sand concrete axially and 10 cm radially during 35 minutes of sustained interaction using 50 kg of stainless steel and 10 kg of zirconium. The SURC-3 experiment had a 45 kg charge of stainless steel to which 1.1 kg of zirconium was subsequently added. SURC-3 axially eroded 33 cm of limestone concrete during two hours of interaction. The fourth experiment, SURC-3A, eroded 25 cm of limestone concrete axially and 9 cm radially during 90 minutes of sustained interaction. It utilized 40 kg of stainless steel and 2.2 kg of added zirconium as the charge material. All four experiments showed in a large increase in erosion rate, gas production, and aerosol release following the addition of Zr metal to the melt. In the SURC-3 and SURC-3A tests the measured erosion rates increased from 14 cm/hr to 27 cm/hr, gas release increased from 50 slpm to 100 slpm, and aerosol release increased from .02 q/sec to .04 q/sec. The effluent gas was composed of 80% CO, 10% CO{sub 2}, and 2% H{sub 2} before Zr addition and 92% CO, 4% CO{sub 2}, 4% H{sub 2} during the Zr interactions which lasted 10--20 minutes. Addition measurements indicated that the melt pool temperature ranged from 1600{degree}C--1800{degree} and that the aerosols produced were comprised primarily of Te and Fe oxides. 21 refs., 120 figs., 51 tabs.

  11. Aerosol and melt chemistry in the ACE molten core-concrete interaction experiments

    SciTech Connect

    Fink, J.K.; Thompson, D.H.; Spencer, B.W.; Sehgal, B.R.

    1995-01-01

    Experimental results are discussed from the internationally sponsored Advanced Containment Experiments (ACE) Program on the melt behavior and aerosols released during the interaction of molten reactor core material with concrete. A broad range of parameters were addressed in the experimental program: Seven large-scale tests were performed using four types of concrete (siliceous, limestone/sand, serpentine, and limestone) and a range of metal oxidations for both boiling water and pressurized waster reactor core debris. The release aerosols contained mainly constitutents of the concrete. In the tests with metal and limestone/sand siliceous concrete, silicon compounds comprised 50% or more of the aerosol mass. Releases of uranium and low-volatility fission-product elements were small in all tests. Releases of tellurium and neutron absorber materials (silver, indium, and boron from boron carbide) were high.

  12. Core-concrete interactions with overlying water pools. The WETCOR-1 test

    SciTech Connect

    Blose, R.E.; Powers, D.A.; Copus, E.R.; Brockmann, J.E.; Simpson, R.B.; Lucero, D.A.

    1993-11-01

    The WETCOR-1 test of simultaneous interactions of a high-temperature melt with water and a limestone/common-sand concrete is described. The test used a 34.1-kg melt of 76.8 w/o Al{sub 2}O{sub 3}, 16.9 w/o CaO, and 4.0 w/o SiO{sub 2} heated by induction using tungsten susceptors. Once quasi-steady attack on concrete by the melt was established, an attempt was made to quench the melt at 1850 K with 295 K water flowing at 57 liters per minute. Net power into the melt at the time of water addition was 0.61 {plus_minus} 0.19 W/cm{sup 3}. The test configuration used in the WETCOR-1 test was designed to delay melt freezing to the walls of the test fixture. This was done to test hypotheses concerning the inherent stability of crust formation when high-temperature melts are exposed to water. No instability in crust formation was observed. The flux of heat through the crust to the water pool maintained over the melt in the test was found to be 0.52 {plus_minus} 0.13 MW/m{sup 2}. Solidified crusts were found to attenuate aerosol emissions during the melt concrete interactions by factors of 1.3 to 3.5. The combination of a solidified crust and a 30-cm deep subcooled water pool was found to attenuate aerosol emissions by factors of 3 to 15.

  13. Fukushima Daiichi Unit 1 Ex-Vessel Prediction: Core Concrete Interaction

    SciTech Connect

    Robb, Kevin R; Farmer, Mitchell; Francis, Matthew W

    2015-01-01

    Lower head failure and corium concrete interaction were predicted to occur at Fukushima Daiichi Unit 1 (1F1) by several different system-level code analyses, including MELCOR v2.1 and MAAP5. Although these codes capture a wide range of accident phenomena, they do not contain detailed models for ex-vessel core melt behavior. However, specialized codes exist for analysis of ex-vessel melt spreading (e.g., MELTSPREAD) and long-term debris coolability (e.g., CORQUENCH). On this basis, an analysis was carried out to further evaluate ex-vessel behavior for 1F1 using MELTSPREAD and CORQUENCH. Best-estimate melt pour conditions predicted by MELCOR v2.1 and MAAP5 were used as input. MELTSPREAD was then used to predict the spatially dependent melt conditions and extent of spreading during relocation from the vessel. The results of the MELTSPREAD analysis are reported in a companion paper. This information was used as input for the long-term debris coolability analysis with CORQUENCH.

  14. Conformal field theory of critical Casimir interactions in 2D

    NASA Astrophysics Data System (ADS)

    Bimonte, G.; Emig, T.; Kardar, M.

    2013-10-01

    Thermal fluctuations of a critical system induce long-ranged Casimir forces between objects that couple to the underlying field. For two-dimensional (2D) conformal field theories (CFT) we derive an exact result for the Casimir interaction between two objects of arbitrary shape, in terms of 1) the free energy of a circular ring whose radii are determined by the mutual capacitance of two conductors with the objects' shape; and 2) a purely geometric energy that is proportional to the conformal charge of the CFT, but otherwise super-universal in that it depends only on the shapes and is independent of boundary conditions and other details.

  15. Interactive initialization of 2D/3D rigid registration

    SciTech Connect

    Gong, Ren Hui; Güler, Özgür; Kürklüoglu, Mustafa; Lovejoy, John; Yaniv, Ziv

    2013-12-15

    Purpose: Registration is one of the key technical components in an image-guided navigation system. A large number of 2D/3D registration algorithms have been previously proposed, but have not been able to transition into clinical practice. The authors identify the primary reason for the lack of adoption with the prerequisite for a sufficiently accurate initial transformation, mean target registration error of about 10 mm or less. In this paper, the authors present two interactive initialization approaches that provide the desired accuracy for x-ray/MR and x-ray/CT registration in the operating room setting. Methods: The authors have developed two interactive registration methods based on visual alignment of a preoperative image, MR, or CT to intraoperative x-rays. In the first approach, the operator uses a gesture based interface to align a volume rendering of the preoperative image to multiple x-rays. The second approach uses a tracked tool available as part of a navigation system. Preoperatively, a virtual replica of the tool is positioned next to the anatomical structures visible in the volumetric data. Intraoperatively, the physical tool is positioned in a similar manner and subsequently used to align a volume rendering to the x-ray images using an augmented reality (AR) approach. Both methods were assessed using three publicly available reference data sets for 2D/3D registration evaluation. Results: In the authors' experiments, the authors show that for x-ray/MR registration, the gesture based method resulted in a mean target registration error (mTRE) of 9.3 ± 5.0 mm with an average interaction time of 146.3 ± 73.0 s, and the AR-based method had mTREs of 7.2 ± 3.2 mm with interaction times of 44 ± 32 s. For x-ray/CT registration, the gesture based method resulted in a mTRE of 7.4 ± 5.0 mm with an average interaction time of 132.1 ± 66.4 s, and the AR-based method had mTREs of 8.3 ± 5.0 mm with interaction times of 58 ± 52 s. Conclusions: Based on the

  16. Interactive 2D to 3D stereoscopic image synthesis

    NASA Astrophysics Data System (ADS)

    Feldman, Mark H.; Lipton, Lenny

    2005-03-01

    Advances in stereoscopic display technologies, graphic card devices, and digital imaging algorithms have opened up new possibilities in synthesizing stereoscopic images. The power of today"s DirectX/OpenGL optimized graphics cards together with adapting new and creative imaging tools found in software products such as Adobe Photoshop, provide a powerful environment for converting planar drawings and photographs into stereoscopic images. The basis for such a creative process is the focus of this paper. This article presents a novel technique, which uses advanced imaging features and custom Windows-based software that utilizes the Direct X 9 API to provide the user with an interactive stereo image synthesizer. By creating an accurate and interactive world scene with moveable and flexible depth map altered textured surfaces, perspective stereoscopic cameras with both visible frustums and zero parallax planes, a user can precisely model a virtual three-dimensional representation of a real-world scene. Current versions of Adobe Photoshop provide a creative user with a rich assortment of tools needed to highlight elements of a 2D image, simulate hidden areas, and creatively shape them for a 3D scene representation. The technique described has been implemented as a Photoshop plug-in and thus allows for a seamless transition of these 2D image elements into 3D surfaces, which are subsequently rendered to create stereoscopic views.

  17. 2D DEM model of sand transport with wind interaction

    NASA Astrophysics Data System (ADS)

    Oger, L.; Valance, A.

    2013-06-01

    The advance of the dunes in the desert is a threat to the life of the local people. The dunes invade houses, agricultural land and perturb the circulation on the roads. It is therefore very important to understand the mechanism of sand transport in order to fight against desertification. Saltation in which sand grains are propelled by the wind along the surface in short hops, is the primary mode of blown sand movement [1]. The saltating grains are very energetic and when impact a sand surface, they rebound and consequently eject other particles from the sand bed. The ejected grains, called reptating grains, contribute to the augmentation of the sand flux. Some of them can be promoted to the saltation motion. We use a mechanical model based on the Discrete Element Method to study successive collisions of incident energetic beads with granular packing in the context of Aeolian saltation transport. We investigate the collision process for the case where the incident bead and those from the packing have identical mechanical properties. We analyze the features of the consecutive collision processes made by the transport of the saltating disks by a wind in which its profile is obtained from the counter-interaction between air flow and grain flows. We used a molecular dynamics method known as DEM (soft Discrete Element Method) with a initial static packing of 20000 2D particles. The dilation of the upper surface due to the consecutive collisions is responsible for maintaining the flow at a given energy input due to the wind.

  18. Properties of interacting 2D chiral tensor network states

    NASA Astrophysics Data System (ADS)

    Bradlyn, Barry; Dubail, Jerome; Read, Nicholas

    2015-03-01

    In a recent paper, Dubail and Read gave a construction for free fermion tensor network states(TNSs) in the chiral p + ip and ν = 1 Chern insulator topological phases in two dimensions, and gave a generalization to Laughlin-like states. However, on general principles these free fermion states must be ground states of gapless local Hamiltonians. In this talk, we address the issue of the energy gap in the interacting states, with a particular focus on the ν = 1 / 2 bosonic Laughlin-like TNS. Through a combination of analytic and numerical arguments, we will show that these states too have gapless local parent Hamiltonians. Nevertheless, we will explore to what degree they can be used as numerical approximations to gapped phases.

  19. Probing dipole-dipole interaction in a rubidium gas via double-quantum 2D spectroscopy.

    PubMed

    Gao, Feng; Cundiff, Steven T; Li, Hebin

    2016-07-01

    We have implemented double-quantum 2D spectroscopy on a rubidium vapor and shown that this technique provides sensitive and background-free detection of the dipole-dipole interaction. The 2D spectra include signals from both individual atoms and interatomic interactions, allowing quantitative studies of the interaction. A theoretical model based on the optical Bloch equations is used to reproduce the experimental spectrum and confirm the origin of double-quantum signals. PMID:27367074

  20. Crossover from 2D to 3D in a Weakly Interacting Fermi Gas

    SciTech Connect

    Dyke, P.; Kuhnle, E. D.; Hu, H.; Mark, M.; Hoinka, S.; Lingham, M.; Hannaford, P.; Vale, C. J.; Whitlock, S.

    2011-03-11

    We have studied the transition from two to three dimensions in a low temperature weakly interacting {sup 6}Li Fermi gas. Below a critical atom number N{sub 2D} only the lowest transverse vibrational state of a highly anisotropic oblate trapping potential is occupied and the gas is two dimensional. Above N{sub 2D} the Fermi gas enters the quasi-2D regime where shell structure associated with the filling of individual transverse oscillator states is apparent. This dimensional crossover is demonstrated through measurements of the cloud size and aspect ratio versus atom number.

  1. Role natural killer group 2D-ligand interactions in hepatitis B infection

    PubMed Central

    Pollicino, Teresa; Koumbi, Lemonica

    2015-01-01

    Hepatitis B virus (HBV) infection is the leading cause of liver disease and hepatocellular carcinoma (HCC) worldwide, in spite of prophylactic vaccination and antiviral treatment modalities. The immunopathogenesis of HBV infection has been intensively studied and is propelled by complex interactions between the virus and the host immune system. Natural killer group 2D (NKG2D) is a well-characterized activating receptor, expressed on natural killer (NK) cells, NK T cells and CD8+ cytotoxic T cells. This receptor is present in both humans and mice and binds to a diverge family of ligands that resemble the MHC-class I molecules. Increasing evidence shows that NKG2D-ligand interactions are critical in the establishment of HBV persistence and the development of liver injury and HCC. The expression of NKG2D ligands depends on the presence of several polymorphisms and is also modulated post-transcriptionally by HBV. While it is known that HBV circumvents host’s innate immunity via the NKG2D pathway but the exact mechanisms involved are still elusive. This letter discusses previous accomplishments on the role of NKG2D ligand regulation in the development of chronic HBV, liver injury and HCC. PMID:25937859

  2. T cell triggering: insights from 2D kinetics analysis of molecular interactions

    NASA Astrophysics Data System (ADS)

    Zarnitsyna, Veronika; Zhu, Cheng

    2012-08-01

    Interaction of the T cell receptor (TCR) with pathogen-derived peptide presented by the major histocompatibility complex (pMHC) molecule is central to adaptive immunity as it initiates intracellular signaling to trigger T cell response to infection. Kinetic parameters of this interaction have been under intensive investigation for more than two decades using soluble pMHCs and/or TCRs with at least one of them in the solution (three-dimensional (3D) methods). Recently, several techniques have been developed to enable kinetic analysis on live T cells with pMHCs presented by surrogate antigen presenting cells (APCs) or supported planar lipid bilayers (two-dimensional (2D) methods). Comparison of 2D versus 3D parameters reveals drastic differences with broader ranges of 2D affinities and on-rates and orders of magnitude faster 2D off-rates for functionally distinct pMHCs. Here we review new 2D data and discuss how it may impact previously developed models of T cell discrimination between pMHCs of different potencies.

  3. Intercalation of organic molecules in 2D copper (II) nitroprusside: Intermolecular interactions and magnetic properties

    SciTech Connect

    Osiry, H.; Cano, A.; Lemus-Santana, A.A.; Rodríguez, A.; Carbonio, R.E.; Reguera, E.

    2015-10-15

    This contribution discusses the intercalation of imidazole and its 2-ethyl derivative, and pyridine in 2D copper nitroprusside. In the interlayer region, neighboring molecules remain interacting throu gh their dipole and quadrupole moments, which supports the solid 3D crystal structure. The crystal structure of this series of intercalation compounds was solved and refined from powder X-ray diffraction patterns complemented with spectroscopic information. The intermolecular interactions were studied from the refined crystal structures and low temperature magnetic measurements. Due to strong attractive forces between neighboring molecules, the resulting π–π cloud overlapping enables the ferromagnetic coupling between metal centers on neighboring layers, which was actually observed for the solids containing imidazole and pyridine as intercalated molecules. For these two solids, the magnetic data were properly described with a model of six neighbors. For the solid containing 2-ethylimidazole and for 2D copper nitroprusside, a model of four neighbors in a plane is sufficient to obtain a reliable data fitting. - Highlights: • Intercalation of organic molecules in 2D copper (II) nitroprusside. • Molecular properties of intercalation compounds of 2D copper (II) nitroprusside. • Magnetic properties of hybrid inorganic–organic solids. • Hybrid inorganic–organic 3D framework.

  4. Local Probing of Phase Coherence in a Strongly Interacting 2D Quantum Gas

    NASA Astrophysics Data System (ADS)

    Luick, Niclas; Siegl, Jonas; Hueck, Klaus; Morgener, Kai; Lompe, Thomas; Weimer, Wolf; Moritz, Henning

    2016-05-01

    The dimensionality of a quantum system has a profound impact on its coherence and superfluid properties. In 3D superfluids, bosonic atoms or Cooper pairs condense into a macroscopic wave function exhibiting long-range phase coherence. Meanwhile, 2D superfluids show a strikingly different behavior: True long-range coherence is precluded by thermal fluctuations, nevertheless Berezinskii-Kosterlitz-Thouless (BKT) theory predicts that 2D systems can still become superfluid. The superfluid state is characterized by an algebraic decay of phase correlations g1(r) ~r - τ / 4 , where the decay exponent τ is directly related to the superfluid density ns according to τ = 4 /(nsλdB2) . I will present local coherence measurements in a strongly interacting 2D gas of diatomic 6 Li molecules. A self-interference technique allows us to locally extract the algebraic decay exponent and to reconstruct the superfluid density. We determine the scaling of the decay exponent with phase space density to provide a benchmark for studies of 2D superfluids in the strongly interacting regime.

  5. Understanding the interaction between energetic ions and freestanding graphene towards practical 2D perforation

    NASA Astrophysics Data System (ADS)

    Buchheim, Jakob; Wyss, Roman M.; Shorubalko, Ivan; Park, Hyung Gyu

    2016-04-01

    We report experimentally and theoretically the behavior of freestanding graphene subjected to bombardment of energetic ions, investigating the capability of large-scale patterning of freestanding graphene with nanometer sized features by focused ion beam technology. A precise control over the He+ and Ga+ irradiation offered by focused ion beam techniques enables investigating the interaction of the energetic particles and graphene suspended with no support and allows determining sputter yields of the 2D lattice. We found a strong dependency of the 2D sputter yield on the species and kinetic energy of the incident ion beams. Freestanding graphene shows material semi-transparency to He+ at high energies (10-30 keV) allowing the passage of >97% He+ particles without creating destructive lattice vacancy. Large Ga+ ions (5-30 keV), in contrast, collide far more often with the graphene lattice to impart a significantly higher sputter yield of ~50%. Binary collision theory applied to monolayer and few-layer graphene can successfully elucidate this collision mechanism, in great agreement with experiments. Raman spectroscopy analysis corroborates the passage of a large fraction of He+ ions across graphene without much damaging the lattice whereas several colliding ions create single vacancy defects. Physical understanding of the interaction between energetic particles and suspended graphene can practically lead to reproducible and efficient pattern generation of unprecedentedly small features on 2D materials by design, manifested by our perforation of sub-5 nm pore arrays. This capability of nanometer-scale precision patterning of freestanding 2D lattices shows the practical applicability of focused ion beam technology to 2D material processing for device fabrication and integration.We report experimentally and theoretically the behavior of freestanding graphene subjected to bombardment of energetic ions, investigating the capability of large-scale patterning of

  6. The Impact of Interactivity on Comprehending 2D and 3D Visualizations of Movement Data.

    PubMed

    Amini, Fereshteh; Rufiange, Sebastien; Hossain, Zahid; Ventura, Quentin; Irani, Pourang; McGuffin, Michael J

    2015-01-01

    GPS, RFID, and other technologies have made it increasingly common to track the positions of people and objects over time as they move through two-dimensional spaces. Visualizing such spatio-temporal movement data is challenging because each person or object involves three variables (two spatial variables as a function of the time variable), and simply plotting the data on a 2D geographic map can result in overplotting and occlusion that hides details. This also makes it difficult to understand correlations between space and time. Software such as GeoTime can display such data with a three-dimensional visualization, where the 3rd dimension is used for time. This allows for the disambiguation of spatially overlapping trajectories, and in theory, should make the data clearer. However, previous experimental comparisons of 2D and 3D visualizations have so far found little advantage in 3D visualizations, possibly due to the increased complexity of navigating and understanding a 3D view. We present a new controlled experimental comparison of 2D and 3D visualizations, involving commonly performed tasks that have not been tested before, and find advantages in 3D visualizations for more complex tasks. In particular, we tease out the effects of various basic interactions and find that the 2D view relies significantly on "scrubbing" the timeline, whereas the 3D view relies mainly on 3D camera navigation. Our work helps to improve understanding of 2D and 3D visualizations of spatio-temporal data, particularly with respect to interactivity.

  7. Understanding the interaction between energetic ions and freestanding graphene towards practical 2D perforation.

    PubMed

    Buchheim, Jakob; Wyss, Roman M; Shorubalko, Ivan; Park, Hyung Gyu

    2016-04-21

    We report experimentally and theoretically the behavior of freestanding graphene subjected to bombardment of energetic ions, investigating the capability of large-scale patterning of freestanding graphene with nanometer sized features by focused ion beam technology. A precise control over the He(+) and Ga(+) irradiation offered by focused ion beam techniques enables investigating the interaction of the energetic particles and graphene suspended with no support and allows determining sputter yields of the 2D lattice. We found a strong dependency of the 2D sputter yield on the species and kinetic energy of the incident ion beams. Freestanding graphene shows material semi-transparency to He(+) at high energies (10-30 keV) allowing the passage of >97% He(+) particles without creating destructive lattice vacancy. Large Ga(+) ions (5-30 keV), in contrast, collide far more often with the graphene lattice to impart a significantly higher sputter yield of ∼50%. Binary collision theory applied to monolayer and few-layer graphene can successfully elucidate this collision mechanism, in great agreement with experiments. Raman spectroscopy analysis corroborates the passage of a large fraction of He(+) ions across graphene without much damaging the lattice whereas several colliding ions create single vacancy defects. Physical understanding of the interaction between energetic particles and suspended graphene can practically lead to reproducible and efficient pattern generation of unprecedentedly small features on 2D materials by design, manifested by our perforation of sub-5 nm pore arrays. This capability of nanometer-scale precision patterning of freestanding 2D lattices shows the practical applicability of focused ion beam technology to 2D material processing for device fabrication and integration.

  8. Interaction of water molecules with hexagonal 2D systems. A DFT study

    NASA Astrophysics Data System (ADS)

    Rojas, Ángela; Rey, Rafael

    Over the years water sources have been contaminated with many chemical agents, becoming issues that affect health of the world population. The advances of the nanoscience and nanotechnology in the development new materials constitute an alternative for design molecular filters with great efficiencies and low cost for water treatment and purification. In the nanoscale, the process of filtration or separation of inorganic and organic pollutants from water requires to study interactions of these atoms or molecules with different nano-materials. Specifically, it is necessary to understand the role of these interactions in physical and chemical properties of the nano-materials. In this work, the main interest is to do a theoretical study of interaction between water molecules and 2D graphene-like systems, such as silicene (h-Si) or germanene (h-Ge). Using Density Functional Theory we calculate total energy curves as function of separation between of water molecules and 2D systems. Different spatial configurations of water molecules relative to 2D systems are considered. Structural relaxation effects and changes of electronic charge density also are reported. Universidad Nacional de Colombia.

  9. Simulations of two-particle interactions with 2D quantum walks in time

    SciTech Connect

    Schreiber, A.; Laiho, K.; Silberhorn, C.; Rohde, P. P.; Štefaňak, M.; Potoček, V.; Hamilton, C.; Jex, I.

    2014-12-04

    We present the experimental implementation of a quantum walk on a two-dimensional lattice and show how to employ the optical system to simulate the quantum propagation of two interacting particles. Our quantum walk in time transfers the spatial spread of a quantum walk into the time domain, which guarantees a high stability and scalability of the setup. We present with our device quantum walks over 12 steps on a 2D lattice. By changing the properties of the driving quantum coin, we investigate different kinds of two-particle interactions and reveal their impact on the occurring quantum propagation.

  10. PhotoCloud: Interactive remote exploration of joint 2D and 3D datasets.

    PubMed

    Brivio, Paolo; Benedetti, Luca; Tarini, Marco; Ponchio, Federico; Cignoni, Paolo; Scopigno, Roberto

    2013-01-01

    PhotoCloud is a real-time client-server system for interactive visualization and exploration of large datasets comprising thousands of calibrated 2D photographs of a scene and a complex 3D description of the scene. The system isn't tailored to any specific data acquisition process; it aims at generality and flexibility. PhotoCloud achieves scalability through a multiresolution dynamic hierarchical representation of the data, which is remotely stored and accessed by the client through an efficient cache system. The system includes a compact image browser and a multiresolution model renderer. PhotoCloud employs iconic visualization of the images in the 3D space and projects images onto the 3D scene on the fly. Users can navigate the 2D and 3D spaces with smooth, integrated, seamless transitions between them. A study with differently skilled users confirms PhotoCloud's effectiveness and communication power. The Web extras at http://www.youtube.com/playlist?list=PLHJB2bhmgB7cmYD0ST9CEDMRv1JlX4xPH are videos demonstrating PhotoCloud, a real-time client-server system for interactive exploration of large datasets comprising 2D photos and 3D models.

  11. CSR Interaction for a 2D Energy-Chirped Bunch on a General Orbit

    SciTech Connect

    Rui Li

    2009-05-01

    When an electron bunch with initial linear energy chirp traverses a bunch compression chicane, the bunch interacts with itself via coherent synchrotron radiation (CSR) and space charge force. The effective longitudinal CSR force for such kind of 2D bunch on a circular orbit has been analyzed earlier [1]. In this paper, we present the analytical results of the effective longitudinal CSR force for a 2D energy-chirped bunch going through a general orbit, which includes the entrance and exit of a circular orbit. In particular, we will show the behavior of the force in the last bend of a chicane when the bunch is under extreme compression. This is the condition when bifurcation of bunch phase space occurs in many CSR measurements. [1] R. Li, Phys. Rev. ST Accel. Beams 11, 024401 (2008)

  12. A 2-D DNS investigation of extinction and reignition dynamics in nonpremixed flame-vortex interactions

    SciTech Connect

    Venugopal, Rishikesh; Abraham, John

    2008-05-15

    Two-dimensional (2-D) DNS investigations of extinction and reignition dynamics during interactions of laminar nonpremixed flames with counterrotating vortex pairs are performed. The length and velocity scales chosen for the vortices are representative of those in the near fields of high-Reynolds-number jets such as those occurring in Diesel engines. The governing equations are solved with sixth-order spatial discretization and fourth-order time integration. Chemistry is modeled as an irreversible single-step reaction. Local extinction along the symmetry axis, followed by reignition, is observed. The extinction is characterized by strong unsteady effects, which are captured well by 1-D transient diffusion flamelet libraries, provided the time-history of the instantaneous scalar dissipation rate is taken into account. On the other hand, reignition is essentially a 2-D phenomenon involving flame-flame interactions, which are favored for smaller vortices and increasing flame curvature. The effects of unsteadiness and curvature on extinction and reignition are carefully assessed through parametric studies involving a range of vortex and flame characteristics. The interaction outcomes are summarized on Reynolds-Damkoehler number (Re-Da) diagrams, which show the combined effects of unsteadiness and curvature on extinction and reignition. The implications of the observed interaction outcomes for turbulent combustion modeling in the near fields of jet diffusion flames are discussed. (author)

  13. Quasi-simultaneous interaction method for solving 2D boundary layer flows over plates and airfoils

    NASA Astrophysics Data System (ADS)

    Bijleveld, H. A.; Veldman, A. E. P.

    2012-11-01

    This paper studies unsteady 2D boundary layer flows over dented plates and a NACA 0012 airfoil. An inviscid flow is assumed to exist outside the boundary layer and is solved iteratively with the boundary layer flow together with the interaction method until a matching solution is achieved. Hereto a quasi-simultaneous interaction method is applied, in which the integral boundary layer equations are solved together with an interaction-law equation. The interaction-law equation is an approximation of the external flow and based on thin-airfoil theory. It is an algebraic relation between the velocity and displacement thickness. The interaction-law equation ensures that the eigenvalues of the system of equations do not have a sign change and that no singularities occur. Three numerical schemes are used to solve the boundary layer flow with the interaction method. These are: a standard scheme, a splitting method and a characteristics solver. All schemes use a finite difference discretization. The three schemes yield comparable results for the simulations carried out. The standard scheme is deviating most from the splitting and characteristics solvers. The results show that the eigenvalues remain positive, even in separation. As expected, the addition of the interaction-law equation prevents a sign change of the eigenvalues. The quasi-simultaneous interaction scheme is applicable to the three numerical schemes tested.

  14. Nonlinear soil-structure interaction calculations simulating the SIMQUAKE experiment using STEALTH 2D

    NASA Technical Reports Server (NTRS)

    Tang, H. T.; Hofmann, R.; Yee, G.; Vaughan, D. K.

    1980-01-01

    Transient, nonlinear soil-structure interaction simulations of an Electric Power Research Institute, SIMQUAKE experiment were performed using the large strain, time domain STEALTH 2D code and a cyclic, kinematically hardening cap soil model. Results from the STEALTH simulations were compared to identical simulations performed with the TRANAL code and indicate relatively good agreement between all the STEALTH and TRANAL calculations. The differences that are seen can probably be attributed to: (1) large (STEALTH) vs. small (TRANAL) strain formulation and/or (2) grid discretization differences.

  15. Intercalation of organic molecules in 2D copper (II) nitroprusside: Intermolecular interactions and magnetic properties

    NASA Astrophysics Data System (ADS)

    Osiry, H.; Cano, A.; Lemus-Santana, A. A.; Rodríguez, A.; Carbonio, R. E.; Reguera, E.

    2015-10-01

    This contribution discusses the intercalation of imidazole and its 2-ethyl derivative, and pyridine in 2D copper nitroprusside. In the interlayer region, neighboring molecules remain interacting throu gh their dipole and quadrupole moments, which supports the solid 3D crystal structure. The crystal structure of this series of intercalation compounds was solved and refined from powder X-ray diffraction patterns complemented with spectroscopic information. The intermolecular interactions were studied from the refined crystal structures and low temperature magnetic measurements. Due to strong attractive forces between neighboring molecules, the resulting π-π cloud overlapping enables the ferromagnetic coupling between metal centers on neighboring layers, which was actually observed for the solids containing imidazole and pyridine as intercalated molecules. For these two solids, the magnetic data were properly described with a model of six neighbors. For the solid containing 2-ethylimidazole and for 2D copper nitroprusside, a model of four neighbors in a plane is sufficient to obtain a reliable data fitting.

  16. Self-Assembly of Cubes into 2D Hexagonal and Honeycomb Lattices by Hexapolar Capillary Interactions

    NASA Astrophysics Data System (ADS)

    Soligno, Giuseppe; Dijkstra, Marjolein; van Roij, René

    2016-06-01

    Particles adsorbed at a fluid-fluid interface induce capillary deformations that determine their orientations and generate mutual capillary interactions which drive them to assemble into 2D ordered structures. We numerically calculate, by energy minimization, the capillary deformations induced by adsorbed cubes for various Young's contact angles. First, we show that capillarity is crucial not only for quantitative, but also for qualitative predictions of equilibrium configurations of a single cube. For a Young's contact angle close to 90°, we show that a single-adsorbed cube generates a hexapolar interface deformation with three rises and three depressions. Thanks to the threefold symmetry of this hexapole, strongly directional capillary interactions drive the cubes to self-assemble into hexagonal or graphenelike honeycomb lattices. By a simple free-energy model, we predict a density-temperature phase diagram in which both the honeycomb and hexagonal lattice phases are present as stable states.

  17. Self-Assembly of Cubes into 2D Hexagonal and Honeycomb Lattices by Hexapolar Capillary Interactions.

    PubMed

    Soligno, Giuseppe; Dijkstra, Marjolein; van Roij, René

    2016-06-24

    Particles adsorbed at a fluid-fluid interface induce capillary deformations that determine their orientations and generate mutual capillary interactions which drive them to assemble into 2D ordered structures. We numerically calculate, by energy minimization, the capillary deformations induced by adsorbed cubes for various Young's contact angles. First, we show that capillarity is crucial not only for quantitative, but also for qualitative predictions of equilibrium configurations of a single cube. For a Young's contact angle close to 90°, we show that a single-adsorbed cube generates a hexapolar interface deformation with three rises and three depressions. Thanks to the threefold symmetry of this hexapole, strongly directional capillary interactions drive the cubes to self-assemble into hexagonal or graphenelike honeycomb lattices. By a simple free-energy model, we predict a density-temperature phase diagram in which both the honeycomb and hexagonal lattice phases are present as stable states. PMID:27391753

  18. Supramolecular Self-Assembly of -conjugated Hydrocarbons via 2D Cooperative CH/ Interaction

    SciTech Connect

    Sumpter, Bobby G; Fuentes-Cabrera, Miguel A

    2011-01-01

    Supramolecular self-assembly on well-defined surfaces provides access to a multitude of nanoscale architectures, including clusters of distinct symmetry and size. The driving forces underlying supramolecular structures generally involve both graphoepitaxy and weak directional nonconvalent interactions. Here we show that functionalizing a benzene molecule with an ethyne group introduces attractive interactions in a 2D geometry, which would otherwise be dominated by intermolecular repulsion. Furthermore, the attractive interactions enable supramolecular self-assembly, wherein a subtle balance between very weak CH/{pi} bonding and molecule-surface interactions produces a well-defined 'magic' dimension and chirality of supramolecular clusters. The nature of the process is corroborated by extensive scanning tunneling microscopy/spectroscopy (STM/S) measurements and ab initio calculations, which emphasize the cooperative, multicenter characters of the CH/{pi} interaction. This work points out new possibilities for chemical functionalization of {pi}-conjugated hydrocarbon molecules that may allow for the rational design of supramolecular clusters with a desired shape and size.

  19. Spin-Orbit Interaction and Related Transport Phenomena in 2d Electron and Hole Systems

    NASA Astrophysics Data System (ADS)

    Khaetskii, A.

    Spin-orbit interaction is responsible for many physical phenomena which are under intensive study currently. Here we discuss several of them. The first phenomenon is the edge spin accumulation, which appears due to spin-orbit interaction in 2D mesoscopic structures in the presence of a charge current. We consider the case of a strong spin-orbit-related splitting of the electron spectrum, i.e. a spin precession length is small compared to the mean free path l. The structure can be either in a ballistic regime (when the mean free path is the largest scale in the problem) or quasi-ballistic regime (when l is much smaller than the sample size). We show how physics of edge spin accumulation in different situations should be understood from the point of view of unitarity of boundary scattering. Using transparent method of scattering states, we are able to explain some previous puzzling theoretical results. We clarify the important role of the form of the spin-orbit Hamiltonian, the role of the boundary conditions, etc., and reveal the wrong results obtained in the field by other researchers. The relation between the edge spin density and the bulk spin current in different regimes is discussed. The detailed comparison with the existing theoretical works is presented. Besides, we consider several new transport phenomena which appear in the presence of spin-orbit interaction, for example, magnetotransport phenomena in an external classical magnetic field. In particular, new mechanism of negative magneto-resistance appears which is due to destruction of spin fluxes by the magnetic field, and which can be really pronounced in 2D systems with strong scatterers.

  20. Ionic Liquid–Solute Interactions Studied by 2D NOE NMR Spectroscopy

    SciTech Connect

    Khatun, Sufia; Castner, Edward W.

    2014-11-26

    Intermolecular interactions between a Ru²⁺(bpy)₃ solute and the anions and cations of four different ionic liquids (ILs) are investigated by 2D NMR nuclear Overhauser effect (NOE) techniques, including {¹H-¹⁹F} HOESY and {¹H-¹H} ROESY. Four ILs are studied, each having the same bis(trifluoromethylsulfonyl)amide anion in common. Two of the ILs have aliphatic 1-alkyl-1-methylpyrrolidinium cations, while the other two ILs have aromatic 1-alkyl-3-methylimidazolium cations. ILs with both shorter (butyl) and longer (octyl or decyl) cationic alkyl substituents are studied. NOE NMR results suggest that the local environment of IL anions and cations near the Ru²⁺(bpy)₃ solute is rather different from the bulk IL structure. The solute-anion and solute-cation interactions are significantly different both for ILs with short vs long alkyl tails and for ILs with aliphatic vs aromatic cation polar head groups. In particular, the solute-anion interactions are observed to be about 3 times stronger for the cations with shorter alkyl tails relative to the ILs with longer alkyl tails. The Ru²⁺(bpy)₃ solute interacts with both the polar head and the nonpolar tail groups of the 1- butyl-1-methylpyrrolidinium cation but only with the nonpolar tail groups of the 1-decyl-1-methylpyrrolidinium cation.

  1. Ionic Liquid–Solute Interactions Studied by 2D NOE NMR Spectroscopy

    DOE PAGES

    Khatun, Sufia; Castner, Edward W.

    2014-11-26

    Intermolecular interactions between a Ru²⁺(bpy)₃ solute and the anions and cations of four different ionic liquids (ILs) are investigated by 2D NMR nuclear Overhauser effect (NOE) techniques, including {¹H-¹⁹F} HOESY and {¹H-¹H} ROESY. Four ILs are studied, each having the same bis(trifluoromethylsulfonyl)amide anion in common. Two of the ILs have aliphatic 1-alkyl-1-methylpyrrolidinium cations, while the other two ILs have aromatic 1-alkyl-3-methylimidazolium cations. ILs with both shorter (butyl) and longer (octyl or decyl) cationic alkyl substituents are studied. NOE NMR results suggest that the local environment of IL anions and cations near the Ru²⁺(bpy)₃ solute is rather different from the bulkmore » IL structure. The solute-anion and solute-cation interactions are significantly different both for ILs with short vs long alkyl tails and for ILs with aliphatic vs aromatic cation polar head groups. In particular, the solute-anion interactions are observed to be about 3 times stronger for the cations with shorter alkyl tails relative to the ILs with longer alkyl tails. The Ru²⁺(bpy)₃ solute interacts with both the polar head and the nonpolar tail groups of the 1- butyl-1-methylpyrrolidinium cation but only with the nonpolar tail groups of the 1-decyl-1-methylpyrrolidinium cation.« less

  2. Surface delta interaction in the g7/2 - d5/2 model space

    NASA Astrophysics Data System (ADS)

    Yu, Xiaofei; Zamick, Larry

    2016-05-01

    Using an attractive surface delta interaction we obtain wave functions for 2 neutrons (or neutron holes) in the g7/2 -d5/2 model space. If we take the single particle energies to be degenerate we find that the g factors for I = 2 , 4 and 6 are all the same G (J) =gl, the orbital g factor of the nucleon. For a free neutron gl = 0, so in this case all 2 particles or 2 holes' g factors are equal to zero. Only the orbital part of the g-factors contributes - the spin part cancels out. We then consider the effects of introducing a single energy splitting between the 2 orbits. We make a linear approximation for all other n values.

  3. Toward an Efficient Icing CFD Process Using an Interactive Software Toolkit: Smagglce 2D

    NASA Technical Reports Server (NTRS)

    Vickerman, Mary B.; Choo, Yung K.; Schilling, Herbert W.; Baez, Marivell; Braun, Donald C.; Cotton, Barbara J.

    2001-01-01

    Two-dimensional CID analysis for iced airfoils can be a labor-intensive task. The software toolkit SmaggIce 2D is being developed to help streamline the CID process and provide the unique features needed for icing. When complete, it will include a combination of partially automated and fully interactive tools for all aspects of the tasks leading up to the flow analysis: geometry preparation, domain decomposition. block boundary demoralization. gridding, and linking with a flow solver. It also includes tools to perform ice shape characterization, an important aid in determining the relationship between ice characteristics and their effects on aerodynamic performance. Completed tools, work-in-progress, and planned features of the software toolkit are presented here.

  4. Structure and interaction in 2D assemblies of tobacco mosaic viruses

    SciTech Connect

    Yang, L.; Wang. S.; Masafumi, F.; Checco, A.; Zhongwei, N.; Wang, Q.

    2009-08-27

    We created two-dimensional (2D) assemblies of tobacco mosaic viruses (TMVs) and characterized their structures using Atomic Force Microscopy (AFM) and X-ray scattering. The TMVs were adsorbed on an oppositely charged, fluid lipid monolayer supported by a solid substrate and submerged in a buffer solution. The lipid monolayer confined the viral particles within a plane, while providing them with lateral mobility so that overall the TMV assembly behaved like a 2D liquid. We controlled the inter-particle interaction by adjusting the chemical condition in the buffer to induce ordered TMV assemblies. We found that the presence of the lipid layer was essential for forming ordered TMV assemblies. Packed TMV assemblies formed on the lipid layer, with an average inter-particle spacing of 42 nm. By introducing Ca2+ ions into the buffer solution, we were able to improve the in-plane order within the TMV assemblies and reduce the average inter-particle spacing to 20 nm, compared to the TMV diameter of 18 nm. Quantitative analysis of the X-ray scattering data shows that the structural order within the TMV assemblies prepared under a Ca{sup 2+}-free buffer solution is consistent with purely repulsive, electrostatic inter-particle interaction. In contrast, the structural order within Ca{sup 2+}-induced TMV assemblies is consistent with the behavior of a fluid of sticky rods, implying the presence of a strong attraction between TMVs. In addition to the screening of Coulomb repulsion, this behavior is likely the result of counterion-induced as well as membrane-mediated attractions.

  5. Structure and Interaction in 2D Assemblies of Tobacco Mosaic Viruses

    SciTech Connect

    Fukuto, M.; Yang, L.; Wang, S.; Fukuto, M.; Checco, A.; Niu, Z.; Wang, Q.

    2009-12-07

    We created two-dimensional (2D) assemblies of tobacco mosaic viruses (TMVs) and characterized their structures using Atomic Force Microscopy (AFM) and X-ray scattering. The TMVs were adsorbed on an oppositely charged, fluid lipid monolayer supported by a solid substrate and submerged in a buffer solution. The lipid monolayer confined the viral particles within a plane, while providing them with lateral mobility so that overall the TMV assembly behaved like a 2D liquid. We controlled the inter-particle interaction by adjusting the chemical condition in the buffer to induce ordered TMV assemblies. We found that the presence of the lipid layer was essential for forming ordered TMV assemblies. Packed TMV assemblies formed on the lipid layer, with an average inter-particle spacing of 42 nm. By introducing Ca{sup 2+} ions into the buffer solution, we were able to improve the in-plane order within the TMV assemblies and reduce the average inter-particle spacing to 20 nm, compared to the TMV diameter of 18 nm. Quantitative analysis of the X-ray scattering data shows that the structural order within the TMV assemblies prepared under a Ca{sup 2+}-free buffer solution is consistent with purely repulsive, electrostatic inter-particle interaction. In contrast, the structural order within Ca{sup 2+}-induced TMV assemblies is consistent with the behavior of a fluid of sticky rods, implying the presence of a strong attraction between TMVs. In addition to the screening of Coulomb repulsion, this behavior is likely the result of counterion-induced as well as membrane-mediated attractions.

  6. Critical Behavior of a Strongly-Interacting 2D Electron System

    NASA Astrophysics Data System (ADS)

    Sarachik, Myriam P.

    2013-03-01

    Two-dimensional (2D) electron systems that obey Fermi liquid theory at high electron densities are expected to undergo one or more transitions to spatially and/or spin-ordered phases as the density is decreased, ultimately forming a Wigner crystal in the dilute, strongly-interacting limit. Interesting, unexpected behavior is observed with decreasing electron density as the electrons' interactions become increasingly important relative to their kinetic energy: the resistivity undergoes a transition from metallic to insulating temperature dependence; the resistance increases sharply and then saturates abruptly with increasing in-plane magnetic field; a number of experiments indicate that the electrons' effective mass exhibits a substantial increase approaching a finite ``critical'' density. There has been a great deal of debate concerning the underlying physics in these systems, and many have questioned whether the change of the resistivity from metallic to insulating signals a phase transition or a crossover. In this talk, I will report measurements that show that with decreasing density ns, the thermopower S of a low-disorder 2D electron system in silicon exhibits a sharp increase by more than an order of magnitude, tending to a divergence at a finite, disorder-independent density nt, consistent with the critical form (- T / S) ~(ns -nt) x with x = 1 . 0 +/- 0 . 1 (T is the temperature). Unlike the resistivity which may not clearly distinguish between a transition and crossover behavior, the thermopower provides clear evidence that a true phase transition occurs with decreasing density to a new low-density phase. Work supported by DOE Grant DE-FG02-84ER45153, BSF grant 2006375, RFBR, RAS, and the Russian Ministry of Science.

  7. GRAV2D: an interactive 2-1/2 dimensional gravity modeling program (user's guide and documentation for Rev. 1)

    SciTech Connect

    Nutter, C.

    1980-11-01

    GRAV2D is an interactive computer program used for modeling 2-1/2 dimensional gravity data. A forward algorithm is used to give the theoretical attraction of gravity intensity at a station due to a perturbing body given by the initial model. The resultant model can then be adjusted for a better fit by a combination of manual adjustment, one-dimensional automatic search, and Marquardt inversion. GRAV2D has an interactive data management system for data manipulation and display built around subroutines to do a forward problem, a one-dimensional direct search and an inversion. This is a user's guide and documentation for GRAV2D.

  8. Adiabatic and Hamiltonian computing on a 2D lattice with simple two-qubit interactions

    NASA Astrophysics Data System (ADS)

    Lloyd, Seth; Terhal, Barbara M.

    2016-02-01

    We show how to perform universal Hamiltonian and adiabatic computing using a time-independent Hamiltonian on a 2D grid describing a system of hopping particles which string together and interact to perform the computation. In this construction, the movement of one particle is controlled by the presence or absence of other particles, an effective quantum field effect transistor that allows the construction of controlled-NOT and controlled-rotation gates. The construction translates into a model for universal quantum computation with time-independent two-qubit ZZ and XX+YY interactions on an (almost) planar grid. The effective Hamiltonian is arrived at by a single use of first-order perturbation theory avoiding the use of perturbation gadgets. The dynamics and spectral properties of the effective Hamiltonian can be fully determined as it corresponds to a particular realization of a mapping between a quantum circuit and a Hamiltonian called the space-time circuit-to-Hamiltonian construction. Because of the simple interactions required, and because no higher-order perturbation gadgets are employed, our construction is potentially realizable using superconducting or other solid-state qubits.

  9. High-resolution 2D NMR spectroscopy of bicelles to measure the membrane interaction of ligands.

    PubMed

    Dvinskikh, Sergey V; Dürr, Ulrich H N; Yamamoto, Kazutoshi; Ramamoorthy, Ayyalusamy

    2007-01-31

    Magnetically aligned bicelles are increasingly being used as model membranes in solution- and solid-state NMR studies of the structure, dynamics, topology, and interaction of membrane-associated peptides and proteins. These studies commonly utilize the PISEMA pulse sequence to measure dipolar coupling and chemical shift, the two key parameters used in subsequent structural analysis. In the present study, we demonstrate that the PISEMA and other rotating-frame pulse sequences are not suitable for the measurement of long-range heteronuclear dipolar couplings, and that they provide inaccurate values when multiple protons are coupled to a 13C nucleus. Furthermore, we demonstrate that a laboratory-frame separated-local-field experiment is capable of overcoming these difficulties in magnetically aligned bicelles. An extension of this approach to accurately measure 13C-31P and 1H-31P couplings from phospholipids, which are useful to understand the interaction of molecules with the membrane, is also described. In these 2D experiments, natural abundance 13C was observed from bicelles containing DMPC and DHPC lipid molecules. As a first application, these solid-state NMR approaches were utilized to probe the membrane interaction of an antidepressant molecule, desipramine, and its location in the membrane.

  10. Spatial anatomic knowledge for 2-D interactive medical image segmentation and matching.

    PubMed

    Brinkley, J F

    1991-01-01

    A representation is described for two-dimensional anatomic shapes which can be described by single-valued distortions of a circle. The representation, called a radial contour model, is both generic, in that it captures the expected shape as well as the range of variation for an anatomic shape class, and flexible, in that the model can deform to fit an individual instance of the shape class. The model is implemented in a program called SCANNER (version 0.61) for 2-D interactive image segmentation and matching. An initial evaluation was performed using 7 shape models learned from a training set of 93 contours, and a control model containing no shape knowledge. Evaluation using 60 additional contours showed that in general the shape knowledge should reduce interactive segmentation time by a factor of two over the control, and that for specific shapes such as the eye, the improvement is much greater. A matching function was also devised which showed that the radial contour model should allow diagnosis of subtle shape changes. These results suggest that the use of spatial anatomic knowledge, when combined with good interactive tools, can help to alleviate the segmentation bottleneck in medical imaging. The models, when extended to more complex shapes, will form the spatial component of a knowledge base of anatomy that could have many uses in addition to image segmentation.

  11. Suramin blocks interaction between human FGF1 and FGFR2 D2 domain and reduces downstream signaling activity.

    PubMed

    Wu, Zong-Sian; Liu, Che Fu; Fu, Brian; Chou, Ruey-Hwang; Yu, Chin

    2016-09-01

    The extracellular portion of the human fibroblast growth factor receptor2 D2 domain (FGFR2 D2) interacts with human fibroblast growth factor 1 (hFGF1) to activate a downstream signaling cascade that ultimately affects mitosis and differentiation. Suramin is an antiparasiticdrug and a potent inhibitor of FGF-induced angiogenesis. Suramin has been shown to bind to hFGF1, and might block the interaction between hFGF1 and FGFR2 D2. Here, we titrated hFGF1 with FGFR2 D2 and suramin to elucidate their interactions using the detection of NMR. The docking results of both hFGF1-FGFR2 D2 domain and hFGF1-suramin complex were superimposed. The results indicate that suramin blocks the interaction between hFGF1 and FGFR2 D2. We used the PyMOL software to show the hydrophobic interaction of hFGF1-suramin. In addition, we used a Water-soluble Tetrazolium salts assay (WST1) to assess hFGF1 bioactivity. The results will be useful for the development of new antimitogenic activity drugs.

  12. LBQ2D, Extending the Line Broadened Quasilinear Model to TAE-EP Interaction

    NASA Astrophysics Data System (ADS)

    Ghantous, Katy; Gorelenkov, Nikolai; Berk, Herbert

    2012-10-01

    The line broadened quasilinear model was proposed and tested on the one dimensional electrostatic case of the bump on tailfootnotetextH.L Berk, B. Breizman and J. Fitzpatrick, Nucl. Fusion, 35:1661, 1995 to study the wave particle interaction. In conventional quasilinear theory, the sea of overlapping modes evolve with time as the particle distribution function self consistently undergo diffusion in phase space. The line broadened quasilinear model is an extension to the conventional theory in a way that allows treatment of isolated modes as well as overlapping modes by broadening the resonant line in phase space. This makes it possible to treat the evolution of modes self consistently from onset to saturation in either case. We describe here the model denoted by LBQ2D which is an extension of the proposed one dimensional line broadened quasilinear model to the case of TAEs interacting with energetic particles in two dimensional phase space, energy as well as canonical angular momentum. We study the saturation of isolated modes in various regimes and present the analytical derivation and numerical results. Finally, we present, using ITER parameters, the case where multiple modes overlap and describe the techniques used for the numerical treatment.

  13. Mercury (I) nitroprusside: A 2D structure supported on homometallic interactions

    SciTech Connect

    Osiry, H.; Cano, A.; Reguera, L.; Lemus-Santana, A.A.; Reguera, E.

    2015-01-15

    The pentacyanonitrosylferrate complex anion, [Fe(CN){sub 5}NO]{sup 2−}, forms an insoluble solid with Hg(I) ion, of formula unit Hg{sub 2}[Fe(CN){sub 5}NO]·2H{sub 2}O, whose crystal structure and related properties are unknown. This contribution reports the preparation of that compound by the precipitation method and its structural study from X-ray powder patterns complemented with spectroscopic information from IR, Raman, and UV–vis techniques. The crystal structure was solved ab initio and then refined using the Rietveld method. The solid crystallizes with a triclinic unit cell, in the P−1 space group, with cell parameters a=10.1202(12), b=10.1000(13), c=7.4704(11) Å; α=110.664(10), β=110.114(10), γ=104.724(8) °. Within the unit cell, two formula units are accommodated (Z=2). It adopts a layered structure related with the coordination of the equatorial CN groups at their N end to the Hg atoms while the axial CN ligand remains unlinked. Within the layers neighboring Hg{sub 2}[Fe(CN){sub 5}NO] building units remain linked through four relatively strong Hg–Hg interactions, with an interatomic distance of 2.549(3) Å. The charge donation from the equatorial CN groups through their 5σ orbitals results into an increase for the electron density on the Hg atoms, which strengths the Hg–Hg bond. In the Raman spectrum, that metal–metal bond is detected as a stretching vibration band at 167 cm{sup −1}. The available free volume between neighboring layers accommodates two water molecules, which are stabilized within the framework through hydrogen bonds with the N end of the unlinked axial CN group. The removal of these weakly bonded water molecules results in structural disorder for the material 3D framework. - Graphical abstract: Assembling of Hg{sub 2}[Fe(CN){sub 5}NO] units through Hg–Hg interactions. - Highlights: • Homometallic Hg–Hg interactions in metal nitroprusside. • 2D structure supported on metal–metal interactions. • Crystal

  14. Spectroscopy of emergent states in strongly interacting 2D electron systems

    NASA Astrophysics Data System (ADS)

    Hirjibehedin, Cyrus Farokh

    In this dissertation I present my recent resonant inelastic light scattering studies of the remarkable emergent states formed by strongly interacting 2D electron systems. I describe the first experimental determinations of long wavelength, low energy dispersions in the fractional quantum Hall (FQH) regime. The demonstration of existence of well defined modes at small wavevectors for the nu = 1/3 state gives a measure of the macroscopic extent of the quantum fluid beyond the micron length scale. I report evidence of a novel splitting of modes and discuss interpretations of these modes as two-roton states. I report the first studies to probe the boundary between different FQH sequences that occurs at nu = 1/3. Evidence of the coexistence of excitations from both sequences at distinct energy scales is uncovered. The abrupt appearance of lower energy modes at nu ≲ 1/3 suggests a change in the quantum ground state on crossing the nu = 1/3 boundary. The coexistence of excitations indicates a layered set of excitations of different quasiparticle flavors from a single ground state. I discuss the resonant enhancements of light scattering for spin excitations at nu = 1/3, which are strongest near photoluminescence bands assigned in the literature to negatively charged excitons. The observed enhancement profiles are interpreted by scattering mechanisms with intermediate transitions to states with charged excitonic excitations. We fabricated the first ultra-low density quantum structures and were able to show that light scattering methods are sensitive enough to probe systems currently reaching as low as n = 7.7 x 108cm -2 at wavevectors large enough to show correlation and non-local effects. I find well-defined plasmons with dispersions that deviate from the long wavelength q limit, suggesting evidence of large correlation effects. I discuss the use of light scattering to measure the electron temperature through the anti-Stokes/Stokes scattering ratio, highlighting the

  15. LOCA hydroloads calculations with multidimensional nonlinear fluid/structure interaction. Volume 2: STEALTH 2D/WHAMSE 2D single-phse fluid and elastic structure studies. Final report. [PWR

    SciTech Connect

    Chang, F.H.; Santee, G.E. Jr.; Mortensen, G.A.; Brockett, G.F.; Gross, M.B.; Silling, S.A.; Belytschko, T.

    1981-03-01

    This report, the second in a series of reports for RP-1065, describes the second step in the stepwise approach for developing the three-dimensional, nonlinear, fluid/structure interaction methodology to assess the hydroloads on a large PWR during the subcooled portions of a hypothetical LOCA. The second step in the methodology considers enhancements and special modifications to the 2D STEALTH-HYDRO computer program and the 2D WHAMSE computer program. The 2D STEALTH-HYDRO enhancements consist of a fluid-fluid coupling control-volume model and an orifice control-volume model. The enhancements to 2D WHAMSE include elimination of the implicit integration routines, material models, and structural elements not required for the hydroloads application. In addition the logic for coupling the 2D STEALTH-HYDRO computer program to the 2D WHAMSE computer program is discussed.

  16. Strongly Correlated 2D Quantum Phases with Cold Polar Molecules: Controlling the Shape of the Interaction Potential

    SciTech Connect

    Buechler, H. P.; Micheli, A.; Pupillo, G.; Zoller, P.; Demler, E.; Lukin, M.; Prokof'ev, N.

    2007-02-09

    We discuss techniques to tune and shape the long-range part of the interaction potentials in quantum gases of bosonic polar molecules by dressing rotational excitations with static and microwave fields. This provides a novel tool towards engineering strongly correlated quantum phases in combination with low-dimensional trapping geometries. As an illustration, we discuss the 2D superfluid-crystal quantum phase transition for polar molecules interacting via an electric-field-induced dipole-dipole potential.

  17. Electrostatic interactions in phospholipid membranes revealed by coherent 2D IR spectroscopy

    PubMed Central

    Volkov, V. V.; Chelli, R.; Zhuang, W.; Nuti, F.; Takaoka, Y.; Papini, A. M.; Mukamel, S.; Righini, R.

    2007-01-01

    The inter- and intramolecular interactions of the carbonyl moieties at the polar interface of a phospholipid membrane are probed by using nonlinear femtosecond infrared spectroscopy. Two-dimensional IR correlation spectra separate homogeneous and inhomogeneous broadenings and show a distinct cross-peak pattern controlled by electrostatic interactions. The inter- and intramolecular electrostatic interactions determine the inhomogeneous character of the optical response. Using molecular dynamics simulation and the nonlinear exciton equations approach, we extract from the spectra short-range structural correlations between carbonyls at the interface. PMID:17881567

  18. Delocalization of two interacting particles in the 2D Harper model

    NASA Astrophysics Data System (ADS)

    Frahm, Klaus M.; Shepelyansky, Dima L.

    2016-01-01

    We study the problem of two interacting particles in a two-dimensional quasiperiodic potential of the Harper model. We consider an amplitude of the quasiperiodic potential such that in absence of interactions all eigenstates are exponentially localized while the two interacting particles are delocalized showing anomalous subdiffusive spreading over the lattice with the spreading exponent b ≈ 0.5 instead of a usual diffusion with b = 1. This spreading is stronger than in the case of a correlated disorder potential with a one particle localization length as for the quasiperiodic potential. At the same time we do not find signatures of ballistic pairs existing for two interacting particles in the localized phase of the one-dimensional Harper model.

  19. Shear viscosity of quasi-2D dipolar Bose-Fermi mixtures with long-range 1/r interactions

    NASA Astrophysics Data System (ADS)

    Darsheshdar, E.; Yavari, H.; Moniri, S. M.

    2016-05-01

    Low-temperature shear viscosity of a spin polarized two-component quasi-2D dipolar Fermi gas with long-range 1/ r interaction in the Bose-Einstein condensation (BEC) limit, where the system can be considered as dimers and the unpaired fermions, is calculated by means of the Kubo formalism. By taking into account the dimer-atom, dimer-dimer, and atom-atom interactions in the self-energies the viscous relaxation time (τ_{η}= (τ_{DA}^{-1}+τ_{DD}^{-1}+ τ_{AA}^{-1})^{-1}) is determined. Since the relaxation rates due to these interactions τ_{DA}^{-1} , τ_{DD}^{ -1} and τ_{AA}^{-1} varies, respectively, as T , T2 , and T in the low-temperature limit T→0 , the dimer-atom and atom-atom interactions play the dominant role to the shear viscosity and the shear viscosity varies as T^{-1} . For small polarization the effect of dimer-dimer interaction is important (τ_{DA},τ_{AA}≫τ_{DD}) , and the shear viscosity changes as the standard T^{-2} behviour. In this case, the temperature behavior of the dimer relaxation rate unaffected by 1/ r interaction and the contact, dipole-dipole, and 1/ r interactions play the same role in the temperature dependence of the shear viscosity. Our results have important consequences for developing experiments and theoretical researches on the transport properties of ultracold gases with repulsive or attractive long range 1/ r interaction.

  20. Experimental Investigation of Shock-Shock Interactions Over a 2-D Wedge at M=6

    NASA Technical Reports Server (NTRS)

    Jones, Michelle L.

    2013-01-01

    The effects of fin-leading-edge radius and sweep angle on peak heating rates due to shock-shock interactions were investigated in the NASA Langley Research Center 20-inch Mach 6 Air Tunnel. The fin model leading edges, which represent cylindrical leading edges or struts on hypersonic vehicles, were varied from 0.25 inches to 0.75 inches in radius. A 9deg wedge generated a planar oblique shock at 16.7deg to the flow that intersected the fin bow shock, producing a shock-shock interaction that impinged on the fin leading edge. The fin angle of attack was varied from 0deg (normal to the free-stream) to 15deg and 25deg swept forward. Global temperature data was obtained from the surface of the fused silica fins through phosphor thermography. Metal oil flow models with the same geometries as the fused silica models were used to visualize the streamline patterns for each angle of attack. High-speed zoom-schlieren videos were recorded to show the features and temporal unsteadiness of the shock-shock interactions. The temperature data were analyzed using one-dimensional semi-infinite as well as one- and two-dimensional finite-volume methods to determine the proper heat transfer analysis approach to minimize errors from lateral heat conduction due to the presence of strong surface temperature gradients induced by the shock interactions. The general trends in the leading-edge heat transfer behavior were similar for the three shock-shock interactions, respectively, between the test articles with varying leading-edge radius. The dimensional peak heat transfer coefficient augmentation increased with decreasing leading-edge radius. The dimensional peak heat transfer output from the two-dimensional code was about 20% higher than the value from a standard, semi-infinite one-dimensional method.

  1. Rayleigh surface wave interaction with the 2D exciton Bose-Einstein condensate

    SciTech Connect

    Boev, M. V.; Kovalev, V. M.

    2015-06-15

    We describe the interaction of a Rayleigh surface acoustic wave (SAW) traveling on the semiconductor substrate with the excitonic gas in a double quantum well located on the substrate surface. We study the SAW attenuation and its velocity renormalization due to the coupling to excitons. Both the deformation potential and piezoelectric mechanisms of the SAW-exciton interaction are considered. We focus on the frequency and excitonic density dependences of the SAW absorption coefficient and velocity renormalization at temperatures both above and well below the critical temperature of Bose-Einstein condensation of the excitonic gas. We demonstrate that the SAW attenuation and velocity renormalization are strongly different below and above the critical temperature.

  2. 2D formulation of E-beam interaction with multi-resonant gaseous medium

    SciTech Connect

    Voin, M.; Hogan, M.; Kimura, W.; Muggli, P.; Schaechter, L.

    2012-12-21

    The interaction of a beam of electrons with an excited gaseous medium is formulated and a few examples are presented. In the framework of the model, the dielectric properties of the gaseous medium are represented by a finite set of resonances corresponding to spectral lines of the gas constituents. Both stimulated emission and absorption from the various states are considered. It is assumed that the population of one of the energy states is inverted. Longitudinal and transverse dynamics are evaluated analytically and Panofsky-Wenzel theorem for such a medium is derived. Based on the numerical simulations performed, possible operation is discussed.

  3. Band Formation in a Molecular Quantum Well via 2D Superatom Orbital Interactions

    SciTech Connect

    Dougherty, D. B.; Feng, Min; Petek, Hrvoje; Yates, John T.; Zhao, Jin

    2012-12-28

    By scanning tunneling microscopy and spectroscopy, we study nearly free electron band formation of the σ*lowest unoccupied molecular orbital of C₆F₆ on a Cu(111) surface. In fractal islands, the lowest unoccupied molecular orbital energy systematically stabilizes with the number of interacting near-neighbor C₆F₆ molecules. Density functional theory calculations reveal the origin of effective intermo- lecular orbital overlap in the previously unrecognized superatom character of the σ*orbital of ₆F₆ molecules. The discovery of superatom orbitals in planar molecules offers a new universal principle for effective band formation, which can be exploited in designing organic semiconductors with nearly free electron properties

  4. 2D formulation of E-beam interaction with multi-resonant gaseous medium

    NASA Astrophysics Data System (ADS)

    Voin, M.; Hogan, M.; Kimura, W.; Muggli, P.; Schächter, L.

    2012-12-01

    The interaction of a beam of electrons with an excited gaseous medium is formulated and a few examples are presented. In the framework of the model, the dielectric properties of the gaseous medium are represented by a finite set of resonances corresponding to spectral lines of the gas constituents. Both stimulated emission and absorption from the various states are considered. It is assumed that the population of one of the energy states is inverted. Longitudinal and transverse dynamics are evaluated analytically and Panofsky-Wenzel theorem for such a medium is derived. Based on the numerical simulations performed, possible operation is discussed.

  5. Interactions in two-component liposomes studied by 2D correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Murawska, Agnieszka; Cieślik-Boczula, Katarzyna; Czarnik-Matusewicz, Bogusława

    2010-06-01

    The effect of dipping amphiphilic ICPANs (1-Alkylaminium, N-[2-[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]ethyl]-N,N-dimethyl-, bromide) homologues, characterized by varying alkyl chain length ( n = 8, 10, 12, and 16), into large multilamellar vesicles (MLVs) of dipalmitoylphosphatidylcholine (DPPC) was studied. Attenuated total reflectance infrared (ATR-IR) spectroscopy combined with 31P-NMR enabled observing a cut-off effect for the longest homologue. By employing two-dimensional correlation spectroscopy (2DCOS) for monitoring spectral changes induced by the heating process, detailed information about structural changes was obtained. They confirmed the substantial reorganization in the structure of the interfacial region in the ICPAN-C16/DPPC vesicles compared with the shorter homologues, where mainly the alkyl chains experience significant trans-to-gauche reorganization. Absorbance changes around 1400 cm -1 assigned to the symmetric deformation mode δsym ( +N(CH 3) 3) are a good marker of changes in vesicle shape and are sensitive to the percentage of DPPC molecules directly interacting with the surface of the ATR crystal. This study clearly demonstrates the potential of 2DCOS in investigating interactions in two-component liposomes.

  6. 2D vs. 3D titanium dioxide: Role of dispersion interactions

    NASA Astrophysics Data System (ADS)

    Forrer, Daniel; Vittadini, Andrea

    2011-11-01

    Dispersion-corrected DFT (DFT-D2 and DFT-D3) and van der Waals density functional (vdW-DF) calculations are performed on TiO 2, taking in consideration structures common in the nanoscale, viz. two-dimensional lepidocrocite-like (LL) sheets as well as the rutile, brookite, anatase, and B polymorphs. Dispersion effects, which are of marginal importance when comparing 'monolithic' polymorphs, are stronger when the comparison is extended to LL structures. We find that, on one hand, LL sheets are less stable than previously estimated; on the other, stacking interactions in LL multilayers, though significant, are rather weak. Overall, these findings explain the reluctance of LL-TiO 2 to form ordered stacks.

  7. Myoblast alignment on 2D wavy patterns: dependence on feature characteristics and cell-cell interaction.

    PubMed

    Grigola, Michael S; Dyck, Casey L; Babacan, Derin S; Joaquin, Danielle N; Hsia, K Jimmy

    2014-08-01

    In this study, we investigate the effects of micron-scale surface patterns on the alignment of individual cells and groups of cells. Using a simple replication molding process we produce a number of micron-scale periodic wavy patterns with different pitch and depth. We observe C2C12 cells as they grow to confluence on these patterns and find that, for some geometries, cell-cell interaction leads to global alignment in a confluent culture when individual cells would not align on the same pattern. Three types of alignment behavior are thus defined: no alignment, immediate alignment, and alignment upon confluence. To further characterize this response, we introduce a non-dimensional parameter that describes the aligning power of a periodic pattern based on its geometry. The three types of alignment behavior can be distinguished by the value of the alignment parameter, and we identify values at which the transitions in alignment behavior occur. Applying this parameter to data from the current and several earlier studies reveals that the parameter successfully describes substrate aligning power over a wide range of length scales for both wavy and grooved features.

  8. Mercury (I) nitroprusside: A 2D structure supported on homometallic interactions

    NASA Astrophysics Data System (ADS)

    Osiry, H.; Cano, A.; Reguera, L.; Lemus-Santana, A. A.; Reguera, E.

    2015-01-01

    The pentacyanonitrosylferrate complex anion, [Fe(CN)5NO]2-, forms an insoluble solid with Hg(I) ion, of formula unit Hg2[Fe(CN)5NO]·2H2O, whose crystal structure and related properties are unknown. This contribution reports the preparation of that compound by the precipitation method and its structural study from X-ray powder patterns complemented with spectroscopic information from IR, Raman, and UV-vis techniques. The crystal structure was solved ab initio and then refined using the Rietveld method. The solid crystallizes with a triclinic unit cell, in the P-1 space group, with cell parameters a=10.1202(12), b=10.1000(13), c=7.4704(11) Å; α=110.664(10), β=110.114(10), γ=104.724(8) °. Within the unit cell, two formula units are accommodated (Z=2). It adopts a layered structure related with the coordination of the equatorial CN groups at their N end to the Hg atoms while the axial CN ligand remains unlinked. Within the layers neighboring Hg2[Fe(CN)5NO] building units remain linked through four relatively strong Hg-Hg interactions, with an interatomic distance of 2.549(3) Å. The charge donation from the equatorial CN groups through their 5σ orbitals results into an increase for the electron density on the Hg atoms, which strengths the Hg-Hg bond. In the Raman spectrum, that metal-metal bond is detected as a stretching vibration band at 167 cm-1. The available free volume between neighboring layers accommodates two water molecules, which are stabilized within the framework through hydrogen bonds with the N end of the unlinked axial CN group. The removal of these weakly bonded water molecules results in structural disorder for the material 3D framework.

  9. 2D Thermoluminescence imaging of dielectric surface long term charge memory of plasma surface interaction in DBD discharges

    NASA Astrophysics Data System (ADS)

    Ambrico, Paolo F.; Ambrico, Marianna; Schiavulli, Luigi; De Benedictis, Santolo

    2014-07-01

    The charge trapping effect due to the exposure of alumina surfaces to plasma has been studied in a volume dielectric barrier discharge (DBD) in Ar and He noble gases. The long lasting charge trapping of alumina dielectric plates, used as barriers in DBDs, is evidenced by an ex situ thermoluminescence (TL) experiment performed with a standard and a custom two-dimensional (2D)-TL apparatus. The spatial density of trapped surface charges is found to be strongly correlated to the plasma morphology, and the surface spatial memory lasted for several minutes to hours after plasma exposure. In the case of Ar, the plasma channel impact signature on the surface shows a higher equivalent radiation dose with respect to the surface plasma wave and the post-discharge species signature. As a consequence, for the development of discharges, inside the dielectric surface the availability of lower energy trapped electrons is larger in the first region of plasma impact. The reported spatial memory increases the likelihood of the occurrence of plasma filaments in the same position in different runs. In He plasmas, the dielectric barrier shows an almost uniform distribution of trapped charges, meaning that there is no preferred region for the development of the discharge. In all cases a slight asymmetry was shown in the direction of the gas flow. This can be interpreted as being due to the long-living species moving in the direction of the gas flow, corresponding with the TL side experiment on the sample exposed to the plasma afterglow. The maximum values and the integral of the 2D-TL images showed a linear relation with the total charge per ac cycle, corresponding with findings for the TL glow curve. In conclusion, 2D-TL images allow the retrieval of information regarding the plasma surface interaction such as the plasma morphology, trap sites and their activation temperature.

  10. QCD prediction of jet structure in 2D trigger-associated momentum correlations and implications for multiple parton interactions

    NASA Astrophysics Data System (ADS)

    Trainor, Thomas A.

    2015-03-01

    The expression "multiple parton interactions" (MPI) denotes a conjectured QCD mechanism representing contributions from secondary (semi)hard parton scattering to the transverse azimuth region (TR) of jet-triggered p-p collisions. MPI is an object of underlying-event (UE) studies that consider variation of TR nch or pt yields relative to a trigger condition (leading hadron or jet pt). An alternative approach is 2D trigger-associated (TA) correlations on hadron transverse momentum pt or rapidity yt in which all hadrons from all p-p events are included. Based on a two-component (soft+hard) model (TCM) of TA correlations a jet-related TA hard component is isolated. Contributions to the hard component from the triggered dijet and from secondary dijets (MPI) can be distinguished, including their azimuth dependence relative to the trigger direction. Measured e+-e- and p-p¯ fragmentation functions and a minimum-bias jet spectrum from 200 GeV p-p¯ collisions are convoluted to predict the 2D hard component of TA correlations as a function of p-p collision multiplicity. The agreement between QCD predictions and TA correlation data is quantitative, confirming a dijet interpretation for the TCM hard component. The TA azimuth dependence is inconsistent with conventional UE assumptions.

  11. User's manual for DYNA2D: an explicit two-dimensional hydrodynamic finite-element code with interactive rezoning

    SciTech Connect

    Hallquist, J.O.

    1982-02-01

    This revised report provides an updated user's manual for DYNA2D, an explicit two-dimensional axisymmetric and plane strain finite element code for analyzing the large deformation dynamic and hydrodynamic response of inelastic solids. A contact-impact algorithm permits gaps and sliding along material interfaces. By a specialization of this algorithm, such interfaces can be rigidly tied to admit variable zoning without the need of transition regions. Spatial discretization is achieved by the use of 4-node solid elements, and the equations-of motion are integrated by the central difference method. An interactive rezoner eliminates the need to terminate the calculation when the mesh becomes too distorted. Rather, the mesh can be rezoned and the calculation continued. The command structure for the rezoner is described and illustrated by an example.

  12. Experimental Database with Baseline CFD Solutions: 2-D and Axisymmetric Hypersonic Shock-Wave/Turbulent-Boundary-Layer Interactions

    NASA Technical Reports Server (NTRS)

    Marvin, Joseph G.; Brown, James L.; Gnoffo, Peter A.

    2013-01-01

    A database compilation of hypersonic shock-wave/turbulent boundary layer experiments is provided. The experiments selected for the database are either 2D or axisymmetric, and include both compression corner and impinging type SWTBL interactions. The strength of the interactions range from attached to incipient separation to fully separated flows. The experiments were chosen based on criterion to ensure quality of the datasets, to be relevant to NASA's missions and to be useful for validation and uncertainty assessment of CFD Navier-Stokes predictive methods, both now and in the future. An emphasis on datasets selected was on surface pressures and surface heating throughout the interaction, but include some wall shear stress distributions and flowfield profiles. Included, for selected cases, are example CFD grids and setup information, along with surface pressure and wall heating results from simulations using current NASA real-gas Navier-Stokes codes by which future CFD investigators can compare and evaluate physics modeling improvements and validation and uncertainty assessments of future CFD code developments. The experimental database is presented tabulated in the Appendices describing each experiment. The database is also provided in computer-readable ASCII files located on a companion DVD.

  13. Self assembly of sandwich-layered 2D silver(I) coordination polymers stabilized by argentophilic interactions: Synthesis, crystal structures and ab initio intramolecular energetics

    NASA Astrophysics Data System (ADS)

    Zorlu, Yunus; Can, Hatice

    2014-11-01

    Two different two-dimensional silver(I) coordination polymers, namely {[Ag2(dcpa)}n (1) and {[Ag2(ma)]}n (2), where dcpa = 4,5-dichlorophthalate; ma = maleate, were synthesized and structurally analyzed by single crystal X-ray diffraction technique. Complexes 1 and 2 represent 2D coordination polymer with metal-organic sandwich type. Two independent Ag(I) ions in both complexes are linked to constructed 2D layer by μ8-η3:η2:η2:η1 (for complex 1) and μ8-η3:η3:η2:η2 (for complex 2) carboxylate bridging fashions. The 2D layers of 1 are further extended into a three-dimensional (3D) supramolecular network by weak Cl⋯Cl interactions while 2D layers of 2 are linked by weak CH⋯O interactions into a 3D supramolecular framework. These two complexes exhibit considerable short Ag-Ag argentophilic interactions. The long-range corrected density functional theory (DFT) method was used to investigate intramolecular energetics, which are responsible for these 2D structures. Natural bond orbital (NBO) analysis with long-range corrected DFT method assists to understand these intramolecular interactions.

  14. DNS of hydrodynamically interacting droplets in turbulent clouds: Parallel implementation and scalability analysis using 2D domain decomposition

    NASA Astrophysics Data System (ADS)

    Ayala, Orlando; Parishani, Hossein; Chen, Liu; Rosa, Bogdan; Wang, Lian-Ping

    2014-12-01

    The study of turbulent collision of cloud droplets requires simultaneous considerations of the transport by background air turbulence (i.e., geometric collision rate) and influence of droplet disturbance flows (i.e., collision efficiency). In recent years, this multiscale problem has been addressed through a hybrid direct numerical simulation (HDNS) approach (Ayala et al., 2007). This approach, while currently is the only viable tool to quantify the effects of air turbulence on collision statistics, is computationally expensive. In order to extend the HDNS approach to higher flow Reynolds numbers, here we developed a highly scalable implementation of the approach using 2D domain decomposition. The scalability of the parallel implementation was studied using several parallel computers, at 5123 and 10243 grid resolutions with O(106)-O(107) droplets. It was found that the execution time scaled with number of processors almost linearly until it saturates and deteriorates due to communication latency issues. To better understand the scalability, we developed a complexity analysis by partitioning the execution tasks into computation, communication, and data copy. Using this complexity analysis, we were able to predict the scalability performance of our parallel code. Furthermore, the theory was used to estimate the maximum number of processors below which the approximately linear scalability is sustained. We theoretically showed that we could efficiently solved problems of up to 81923 with O(100,000) processors. The complexity analysis revealed that the pseudo-spectral simulation of background turbulent flow for a dilute droplet suspension typical of cloud conditions typically takes about 80% of the total execution time, except when the droplets are small (less than 5 μm in a flow with energy dissipation rate of 400 cm2/s3 and liquid water content of 1 g/m3), for which case the particle-particle hydrodynamic interactions become the bottleneck. The complexity analysis

  15. Allosteric pathway identification through network analysis: from molecular dynamics simulations to interactive 2D and 3D graphs.

    PubMed

    Allain, Ariane; Chauvot de Beauchêne, Isaure; Langenfeld, Florent; Guarracino, Yann; Laine, Elodie; Tchertanov, Luba

    2014-01-01

    Allostery is a universal phenomenon that couples the information induced by a local perturbation (effector) in a protein to spatially distant regulated sites. Such an event can be described in terms of a large scale transmission of information (communication) through a dynamic coupling between structurally rigid (minimally frustrated) and plastic (locally frustrated) clusters of residues. To elaborate a rational description of allosteric coupling, we propose an original approach - MOdular NETwork Analysis (MONETA) - based on the analysis of inter-residue dynamical correlations to localize the propagation of both structural and dynamical effects of a perturbation throughout a protein structure. MONETA uses inter-residue cross-correlations and commute times computed from molecular dynamics simulations and a topological description of a protein to build a modular network representation composed of clusters of residues (dynamic segments) linked together by chains of residues (communication pathways). MONETA provides a brand new direct and simple visualization of protein allosteric communication. A GEPHI module implemented in the MONETA package allows the generation of 2D graphs of the communication network. An interactive PyMOL plugin permits drawing of the communication pathways between chosen protein fragments or residues on a 3D representation. MONETA is a powerful tool for on-the-fly display of communication networks in proteins. We applied MONETA for the analysis of communication pathways (i) between the main regulatory fragments of receptors tyrosine kinases (RTKs), KIT and CSF-1R, in the native and mutated states and (ii) in proteins STAT5 (STAT5a and STAT5b) in the phosphorylated and the unphosphorylated forms. The description of the physical support for allosteric coupling by MONETA allowed a comparison of the mechanisms of (a) constitutive activation induced by equivalent mutations in two RTKs and (b) allosteric regulation in the activated and non

  16. Pharmacokinetic interactions between monoamine oxidase A inhibitor harmaline and 5-methoxy-N,N-dimethyltryptamine, and the impact of CYP2D6 status.

    PubMed

    Jiang, Xi-Ling; Shen, Hong-Wu; Mager, Donald E; Yu, Ai-Ming

    2013-05-01

    5-Methoxy-N,N-dimethyltryptamine (5-MeO-DMT or street name "5-MEO") is a newer designer drug belonging to a group of naturally occurring indolealkylamines. Our recent study has demonstrated that coadministration of monoamine oxidase A (MAO-A) inhibitor harmaline (5 mg/kg) increases systemic exposure to 5-MeO-DMT (2 mg/kg) and active metabolite bufotenine. This study is aimed at delineating harmaline and 5-MeO-DMT pharmacokinetic (PK) interactions at multiple dose levels, as well as the impact of CYP2D6 that affects harmaline PK and determines 5-MeO-DMT O-demethylation to produce bufotenine. Our data revealed that inhibition of MAO-A-mediated metabolic elimination by harmaline (2, 5, and 15 mg/kg) led to a sharp increase in systemic and cerebral exposure to 5-MeO-DMT (2 and 10 mg/kg) at all dose combinations. A more pronounced effect on 5-MeO-DMT PK was associated with greater exposure to harmaline in wild-type mice than CYP2D6-humanized (Tg-CYP2D6) mice. Harmaline (5 mg/kg) also increased blood and brain bufotenine concentrations that were generally higher in Tg-CYP2D6 mice. Surprisingly, greater harmaline dose (15 mg/kg) reduced bufotenine levels. The in vivo inhibitory effect of harmaline on CYP2D6-catalyzed bufotenine formation was confirmed by in vitro study using purified CYP2D6. Given these findings, a unified PK model including the inhibition of MAO-A- and CYP2D6-catalyzed 5-MeO-DMT metabolism by harmaline was developed to describe blood harmaline, 5-MeO-DMT, and bufotenine PK profiles in both wild-type and Tg-CYP2D6 mouse models. This PK model may be further employed to predict harmaline and 5-MeO-DMT PK interactions at various doses, define the impact of CYP2D6 status, and drive harmaline-5-MeO-DMT pharmacodynamics.

  17. Insights into drug metabolism by cytochromes P450 from modelling studies of CYP2D6-drug interactions.

    PubMed

    Maréchal, J-D; Kemp, C A; Roberts, G C K; Paine, M J I; Wolf, C R; Sutcliffe, M J

    2008-03-01

    The cytochromes P450 (CYPs) comprise a vast superfamily of enzymes found in virtually all life forms. In mammals, xenobiotic metabolizing CYPs provide crucial protection from the effects of exposure to a wide variety of chemicals, including environmental toxins and therapeutic drugs. Ideally, the information on the possible metabolism by CYPs required during drug development would be obtained from crystal structures of all the CYPs of interest. For some years only crystal structures of distantly related bacterial CYPs were available and homology modelling techniques were used to bridge the gap and produce structural models of human CYPs, and thereby obtain useful functional information. A significant step forward in the reliability of these models came seven years ago with the first crystal structure of a mammalian CYP, rabbit CYP2C5, followed by the structures of six human enzymes, CYP1A2, CYP2A6, CYP2C8, CYP2C9, CYP2D6 and CYP3A4, and a second rabbit enzyme, CYP2B4. In this review we describe as a case study the evolution of a CYP2D6 model, leading to the validation of the model as an in silico tool for predicting binding and metabolism. This work has led directly to the successful design of CYP2D6 mutants with novel activity-including creating a testosterone hydroxylase, converting quinidine from inhibitor to substrate, creating a diclofenac hydroxylase and creating a dextromethorphan O-demethylase. Our modelling-derived hypothesis-driven integrated interdisciplinary studies have given key insight into the molecular determinants of CYP2D6 and other important drug metabolizing enzymes. PMID:18026129

  18. Investigation of CYP3A4 and CYP2D6 Interactions of Withania somnifera and Centella asiatica in Human Liver Microsomes.

    PubMed

    Savai, Jay; Varghese, Alice; Pandita, Nancy; Chintamaneni, Meena

    2015-05-01

    Withania somnifera is commonly used as a rejuvenator, whereas Centella asiatica is well known for its anxiolytic and nootropic effects. The present study aims at investigating the effect of crude extracts and principal phytoconstituents of both the medicinal plants with CYP3A4 and CYP2D6 enzyme activity in human liver microsomes (HLM). Phytoconstituents were quantified in the crude extracts of both the medicinal plants using reverse phase HPLC. Crude extracts and phytoconstituents of W. somnifera showed no significant interaction with both CYP3A4 and CYP2D6 enzymes in HLM. Of the crude extracts of C. asiatica screened in vitro, methanolic extract showed potent noncompetitive inhibition of only CYP3A4 enzyme (Ki-64.36 ± 1.82 µg/mL), whereas ethanol solution extract showed potent noncompetitive inhibition of only CYP2D6 enzyme (Ki-36.3 ± 0.44 µg/mL). The flavonoids, quercetin, and kaempferol showed potent (IC50 values less than 100 μM) inhibition of CYP3A4 activity, whereas quercetin alone showed potent inhibition of CYP2D6 activity in HLM. Because methanolic extract of C. asiatica showed a relatively high percentage content of quercetin and kaempferol than ethanol solution extract, the inhibitory effect of methanolic extract on CYP3A4 enzyme activity could be attributed to the flavonoids. Thus, co-administration of the alcoholic extracts of C. asiatica with drugs that are substrates of CYP3A4 and CYP2D6 enzymes may lead to undesirable herb-drug interactions in humans.

  19. Interaction Between Tropical Convection and its Embedding Environment: An Energetics Analysis of a 2-D Cloud Resolving Simulation

    NASA Technical Reports Server (NTRS)

    Li, Xiaofan; Sui, C.-H.; Lau, K.-M.

    1999-01-01

    The phase relation between the perturbation kinetic energy (K') associated with the tropical convection and the horizontal-mean moist available potential energy (bar-P) associated with environmental conditions is investigated by an energetics analysis of a numerical experiment. This experiment is performed using a 2-D cloud resolving model forced by the TOGA-COARE derived vertical velocity. The imposed upward motion leads to a decrease of bar-P directly through the associated vertical advective cooling, and to an increase of K' directly through cloud related processes, feeding the convection. The maximum K' and its maximum growth rate lags and leads, respectively, the maximum imposed large-scale upward motion by about 1-2 hours, indicating that convection is phase locked with large-scale forcing. The dominant life cycle of the simulated convection is about 9 hours, whereas the time scales of the imposed large-scale forcing are longer than the diurnal cycle. In the convective events, maximum growth of K' leads maximum decay of the perturbation moist available potential energy (P') by about 3 hours through vertical heat transport by perturbation circulation, and perturbation cloud heating. Maximum decay of P' leads maximum decay of bar-P by about one hour through the perturbation radiative, processes, the horizontal-mean cloud heating, and the large-scale vertical advective cooling. Therefore, maximum gain of K' occurs about 4-5 hours before maximum decay of bar-P.

  20. Coupled 2-dimensional cascade theory for noise an d unsteady aerodynamics of blade row interaction in turbofans. Volume 2: Documentation for computer code CUP2D

    NASA Technical Reports Server (NTRS)

    Hanson, Donald B.

    1994-01-01

    A two dimensional linear aeroacoustic theory for rotor/stator interaction with unsteady coupling was derived and explored in Volume 1 of this report. Computer program CUP2D has been written in FORTRAN embodying the theoretical equations. This volume (Volume 2) describes the structure of the code, installation and running, preparation of the input file, and interpretation of the output. A sample case is provided with printouts of the input and output. The source code is included with comments linking it closely to the theoretical equations in Volume 1.

  1. Cortical correlate of spatial presence in 2D and 3D interactive virtual reality: an EEG study.

    PubMed

    Kober, Silvia Erika; Kurzmann, Jürgen; Neuper, Christa

    2012-03-01

    The present study is the first that examined neuronal underpinnings of spatial presence using multi-channel EEG in an interactive virtual reality (VR). We compared two VR-systems: a highly immersive Single-Wall-VR-system (three-dimensional view, large screen) and a less immersive Desktop-VR-system (two-dimensional view, small screen). Twenty-nine participants performed a spatial navigation task in a virtual maze and had to state their sensation of "being there" on a 5-point rating scale. Task-related power decrease/increase (TRPD/TRPI) in the Alpha band (8-12Hz) and coherence analyses in different frequency bands were used to analyze the EEG data. The Single-Wall-VR-system caused a more intense presence experience than the Desktop-VR-system. This increased feeling of presence in the Single-Wall-VR-condition was accompanied by an increased parietal TRPD in the Alpha band, which is associated with cortical activation. The lower presence experience in the Desktop-VR-group was accompanied by a stronger functional connectivity between frontal and parietal brain regions indicating that the communication between these two brain areas is crucial for the presence experience. Hence, we found a positive relationship between presence and parietal brain activation and a negative relationship between presence and frontal brain activation in an interactive VR-paradigm, supporting the results of passive non-interactive VR-studies.

  2. Uncertainty Assessments of 2D and Axisymmetric Hypersonic Shock Wave - Turbulent Boundary Layer Interaction Simulations at Compression Corners

    NASA Technical Reports Server (NTRS)

    Gnoffo, Peter A.; Berry, Scott A.; VanNorman, John W.

    2011-01-01

    This paper is one of a series of five papers in a special session organized by the NASA Fundamental Aeronautics Program that addresses uncertainty assessments for CFD simulations in hypersonic flow. Simulations of a shock emanating from a compression corner and interacting with a fully developed turbulent boundary layer are evaluated herein. Mission relevant conditions at Mach 7 and Mach 14 are defined for a pre-compression ramp of a scramjet powered vehicle. Three compression angles are defined, the smallest to avoid separation losses and the largest to force a separated flow engaging more complicated flow physics. The Baldwin-Lomax and the Cebeci-Smith algebraic models, the one-equation Spalart-Allmaras model with the Catrix-Aupoix compressibility modification and two-equation models including Menter SST, Wilcox k-omega 98, and Wilcox k-omega 06 turbulence models are evaluated. Each model is fully defined herein to preclude any ambiguity regarding model implementation. Comparisons are made to existing experimental data and Van Driest theory to provide preliminary assessment of model form uncertainty. A set of coarse grained uncertainty metrics are defined to capture essential differences among turbulence models. Except for the inability of algebraic models to converge for some separated flows there is no clearly superior model as judged by these metrics. A preliminary metric for the numerical component of uncertainty in shock-turbulent-boundary-layer interactions at compression corners sufficiently steep to cause separation is defined as 55%. This value is a median of differences with experimental data averaged for peak pressure and heating and for extent of separation captured in new, grid-converged solutions presented here. This value is consistent with existing results in a literature review of hypersonic shock-turbulent-boundary-layer interactions by Roy and Blottner and with more recent computations of MacLean.

  3. 2D Computational Fluid Dynamic Modeling of Human Ventricle System Based on Fluid-Solid Interaction and Pulsatile Flow.

    PubMed

    Masoumi, Nafiseh; Framanzad, F; Zamanian, Behnam; Seddighi, A S; Moosavi, M H; Najarian, S; Bastani, Dariush

    2013-01-01

    Many diseases are related to cerebrospinal fluid (CSF) hydrodynamics. Therefore, understanding the hydrodynamics of CSF flow and intracranial pressure is helpful for obtaining deeper knowledge of pathological processes and providing better treatments. Furthermore, engineering a reliable computational method is promising approach for fabricating in vitro models which is essential for inventing generic medicines. A Fluid-Solid Interaction (FSI)model was constructed to simulate CSF flow. An important problem in modeling the CSF flow is the diastolic back flow. In this article, using both rigid and flexible conditions for ventricular system allowed us to evaluate the effect of surrounding brain tissue. Our model assumed an elastic wall for the ventricles and a pulsatile CSF input as its boundary conditions. A comparison of the results and the experimental data was done. The flexible model gave better results because it could reproduce the diastolic back flow mentioned in clinical research studies. The previous rigid models have ignored the brain parenchyma interaction with CSF and so had not reported the back flow during the diastolic time. In this computational fluid dynamic (CFD) analysis, the CSF pressure and flow velocity in different areas were concordant with the experimental data.

  4. Interlayer Interaction Effects and Spin-Pseudospin Transfer in 2D MoSe2-WSe2 Heterostructures

    NASA Astrophysics Data System (ADS)

    Schaibley, John; Rivera, Pasqual; Seyler, Kyle; Yu, Hongyi; Yan, Jiaqiang; Mandrus, David; Yao, Wang; Xu, Xiaodong

    Heterostructures composed of MoSe2-WSe2 monolayer semiconductors host spatially indirect interlayer excitons, which are bound states of an electron in the MoSe2 layer and a hole in the WSe2 layer. Interlayer excitons are observable in photoluminescence experiments as a low energy peak whose spectral position is consistent with the predicted type-II band alignment. The electron and hole which form the interlayer exciton are localized in momentum space valleys that occur at the (K and -K) corners of the Brillouin zone. To probe this interlayer valley physics, we perform two color pump-probe measurements to investigate the interactions between intralayer excitons in the heterostructure, resonantly pumping excitons in one layer and probing excitons in the other layer. We observe evidence of interlayer interaction effects in the nonlinear differential reflection spectra. Polarization dependent spectroscopy reveals evidence of interlayer spin-valley pseudospin transfer. We gratefully acknowledge support from the DOE, NSF, Cottrell Scholar Award, Croucher Foundation, and RGC of Hong Kong.

  5. 2D Computational Fluid Dynamic Modeling of Human Ventricle System Based on Fluid-Solid Interaction and Pulsatile Flow.

    PubMed

    Masoumi, Nafiseh; Framanzad, F; Zamanian, Behnam; Seddighi, A S; Moosavi, M H; Najarian, S; Bastani, Dariush

    2013-01-01

    Many diseases are related to cerebrospinal fluid (CSF) hydrodynamics. Therefore, understanding the hydrodynamics of CSF flow and intracranial pressure is helpful for obtaining deeper knowledge of pathological processes and providing better treatments. Furthermore, engineering a reliable computational method is promising approach for fabricating in vitro models which is essential for inventing generic medicines. A Fluid-Solid Interaction (FSI)model was constructed to simulate CSF flow. An important problem in modeling the CSF flow is the diastolic back flow. In this article, using both rigid and flexible conditions for ventricular system allowed us to evaluate the effect of surrounding brain tissue. Our model assumed an elastic wall for the ventricles and a pulsatile CSF input as its boundary conditions. A comparison of the results and the experimental data was done. The flexible model gave better results because it could reproduce the diastolic back flow mentioned in clinical research studies. The previous rigid models have ignored the brain parenchyma interaction with CSF and so had not reported the back flow during the diastolic time. In this computational fluid dynamic (CFD) analysis, the CSF pressure and flow velocity in different areas were concordant with the experimental data. PMID:25337330

  6. An assessment of drug-drug interactions: the effect of desvenlafaxine and duloxetine on the pharmacokinetics of the CYP2D6 probe desipramine in healthy subjects.

    PubMed

    Patroneva, Albena; Connolly, Sandra M; Fatato, Penny; Pedersen, Ron; Jiang, Qin; Paul, Jeffrey; Guico-Pabia, Christine; Isler, Jennifer A; Burczynski, Michael E; Nichols, Alice I

    2008-12-01

    A number of antidepressants inhibit the activity of the cytochrome P450 2D6 enzyme system, which can lead to drug-drug interactions. Based on its metabolic profile, desvenlafaxine, administered as desvenlafaxine succinate, a new serotonin-norepinephrine reuptake inhibitor, is not expected to have an impact on activity of CYP2D6. This single-center, randomized, open-label, four-period, crossover study was undertaken to evaluate the effect of multiple doses of desvenlafaxine (100 mg/day, twice the recommended therapeutic dose for major depressive disorder in the United States) and duloxetine (30 mg b.i.d.) on the pharmacokinetics (PK) of a single dose of desipramine (50 mg). A single dose of desipramine was given first to assess its PK. Desvenlafaxine or duloxetine was then administered, in a crossover design, so that steady-state levels were achieved; a single dose of desipramine was then coadministered. The geometric least-square mean ratios (coadministration versus desipramine alone) for area under the plasma concentration versus time curve (AUC) and peak plasma concentrations (C(max)) of desipramine and 2-hydroxydesipramine were compared using analysis of variance. Relative to desipramine alone, increases in AUC and C(max) of desipramine associated with duloxetine administration (122 and 63%, respectively) were significantly greater than those associated with desvenlafaxine (22 and 19%, respectively; P < 0.001). Duloxetine coadministered with desipramine was also associated with a decrease in 2-hydroxydesipramine C(max) that was significant compared with the small increase seen with desvenlafaxine and desipramine (-24 versus 9%; P < 0.001); the difference between changes in 2-hydroxydesipramine AUC did not reach statistical significance (P = 0.054). Overall, desvenlafaxine had a minimal impact on the PK of desipramine compared with duloxetine, suggesting a lower risk for CYP2D6-mediated drug interactions.

  7. Interactions between 1alpha,25(OH)2D3 and residues in the ligand-binding pocket of the vitamin D receptor: a correlated fragment molecular orbital study.

    PubMed

    Yamagishi, Kenji; Tokiwa, Hiroaki; Makishima, Makoto; Yamada, Sachiko

    2010-07-01

    To provide physicochemical insight into the role of each residue in the ligand-binding pocket (LBP) of the vitamin D receptor (VDR), we evaluated the energies of the interactions between the LBP residues and 1alpha,25(OH)2D3 by using an ab initio fragment molecular orbital (FMO) method at the Møller-Plesset second-order perturbation (MP2) level. This FMO-MP2 method can be used to correctly evaluate both electrostatic and van der Waals dispersion interactions, and it affords these interaction energies separately. We deduced the nature of each interaction and determined the importance of all the LBP residues involved in ligand recognition by the VDR. We previously reported the results of alanine-scanning mutational analysis (ASMA) of all 34 non-alanine residues lining the LBP of the human VDR. The theoretical results in combination with the ASMA results enabled us to assign the role of each LBP residue. We concluded that electrostatic interactions are the major determinant of the ligand-binding activity and ligand recognition specificity and that van der Waals interactions are important for protein folding and, in turn, for cofactor binding.

  8. On Parametric Sensitivity of Reynolds-Averaged Navier-Stokes SST Turbulence Model: 2D Hypersonic Shock-Wave Boundary Layer Interactions

    NASA Technical Reports Server (NTRS)

    Brown, James L.

    2014-01-01

    Examined is sensitivity of separation extent, wall pressure and heating to variation of primary input flow parameters, such as Mach and Reynolds numbers and shock strength, for 2D and Axisymmetric Hypersonic Shock Wave Turbulent Boundary Layer interactions obtained by Navier-Stokes methods using the SST turbulence model. Baseline parametric sensitivity response is provided in part by comparison with vetted experiments, and in part through updated correlations based on free interaction theory concepts. A recent database compilation of hypersonic 2D shock-wave/turbulent boundary layer experiments extensively used in a prior related uncertainty analysis provides the foundation for this updated correlation approach, as well as for more conventional validation. The primary CFD method for this work is DPLR, one of NASA's real-gas aerothermodynamic production RANS codes. Comparisons are also made with CFL3D, one of NASA's mature perfect-gas RANS codes. Deficiencies in predicted separation response of RANS/SST solutions to parametric variations of test conditions are summarized, along with recommendations as to future turbulence approach.

  9. Interactions by 2D Gel Electrophoresis Overlap (iGEO): a novel high fidelity approach to identify constituents of protein complexes

    PubMed Central

    2013-01-01

    Background Here we describe a novel approach used to identify the constituents of protein complexes with high fidelity, using the integrin-associated scaffolding protein PINCH as a test case. PINCH is comprised of five LIM domains, zinc-finger protein interaction modules. In Drosophila melanogaster, PINCH has two known high-affinity binding partners—Integrin-linked kinase (ILK) that binds to LIM1 and Ras Suppressor 1 (RSU1) that binds to LIM5—but has been postulated to bind additional proteins as well. Results To purify PINCH complexes, in parallel we fused different affinity tags (Protein A and Flag) to different locations within the PINCH sequence (N- and C-terminus). We expressed these tagged versions of PINCH both in cell culture (overexpressed in Drosophila S2 cell culture in the presence of endogenous PINCH) and in vivo (at native levels in Drosophila lacking endogenous PINCH). After affinity purification, we analyzed PINCH complexes by a novel 2D-gel electrophoresis analysis, iGEO (interactions by 2D Gel Electrophoresis Overlap), with mass spectrometric identification of individual spots of interest. iGEO allowed the identification of protein partners that associate with PINCH under two independent purification strategies, providing confidence in the significance of the interaction. Proteins identified by iGEO were validated against a highly inclusive list of candidate PINCH interacting proteins identified in previous analyses by MuDPIT mass spectrometry. Conclusions The iGEO strategy confirmed a core complex comprised of PINCH, RSU1, ILK, and ILK binding partner Parvin. Our iGEO method also identified five novel protein partners that specifically interacted with PINCH in Drosophila S2 cell culture. Because of the improved reproducibility of 2D-GE methodology and the increasing affordability of the required labeling reagents, iGEO is a method that is accessible to most moderately well-equipped biological laboratories. The biochemical co

  10. Effects of Pauli, Rashba and Dresselhaus spin-orbit interactions on electronic states in 2D circular hydrogenic anti-dot

    NASA Astrophysics Data System (ADS)

    Abuali, Z.; Golshan, M. M.; Davatolhagh, S.

    2016-09-01

    The present work is concerned with a report on the effects of Pauli, Rashba and Dresselhaus spin-orbit interactions (SOI) on the energy levels of a 2D circular hydrogenic quantum anti-dot(QAD). To pursue this aim, we first present a brief review on the analytical solutions to the Schrödinger equation of electronic states in a quantum anti-dot when a hydrogenic donor is placed at the center, revealing the degeneracies involved in the ground, first and second excited states. We then proceed by adding the aforementioned spin-orbit interactions to the Hamiltonian and treat them as perturbation, thereby, calculating the energy shifts to the first three states. As we show, the Rashba spin-orbit interaction gives rise to a shift in the energies of the ground and second excited states, while it partially lifts the degeneracy of the first excited state. Our calculations also indicate that the Dresselhaus effect, while keeping the degeneracy of the ground and second excited states intact, removes the degeneracy of the first excited state in the opposite sense. The Pauli spin-orbit interaction, on the other hand, is diagonal in the appropriate bases, and thus its effect is readily calculated. The results show that degeneracy of ℓ = 0 (prevailing in the ground and second excited state) remains but the degeneracy of ℓ = 1 (prevailing in the first excited state) is again partially lifted. Moreover, we present the energy corrections due to the three spin-orbit interactions as functions of anti-dot's radius, Rashba and Dresselhaus strengths discussing how they affect the corresponding states. The material presented in the article conceives the possibility of generating spin currents in the hydrogenic circular anti-dots.

  11. Interaction between serotonin transporter and dopamine D2/D3 receptor radioligand measures is associated with harm avoidant symptoms in anorexia and bulimia nervosa.

    PubMed

    Bailer, Ursula F; Frank, Guido K; Price, Julie C; Meltzer, Carolyn C; Becker, Carl; Mathis, Chester A; Wagner, Angela; Barbarich-Marsteller, Nicole C; Bloss, Cinnamon S; Putnam, Karen; Schork, Nicholas J; Gamst, Anthony; Kaye, Walter H

    2013-02-28

    Individuals with anorexia nervosa (AN) and bulimia nervosa (BN) have alterations of measures of serotonin (5-HT) and dopamine (DA) function, which persist after long-term recovery and are associated with elevated harm avoidance (HA), a measure of anxiety and behavioral inhibition. Based on theories that 5-HT is an aversive motivational system that may oppose a DA-related appetitive system, we explored interactions of positron emission tomography (PET) radioligand measures that reflect portions of these systems. Twenty-seven individuals recovered (REC) from eating disorders (EDs) (7 AN-BN, 11 AN, 9 BN) and nine control women (CW) were analyzed for correlations between [(11)C]McN5652 and [(11)C]raclopride binding. There was a significant positive correlation between [(11)C]McN5652 binding potential (BP(non displaceable(ND))) and [(11)C]Raclopride BP(ND) for the dorsal caudate, antero-ventral striatum (AVS), middle caudate, and ventral and dorsal putamen. No significant correlations were found in CW. [(11)C]Raclopride BP(ND), but not [(11)C]McN5652 BP(ND), was significantly related to HA in REC EDs. A linear regression analysis showed that the interaction between [(11)C]McN5652 BP(ND) and [(11)C]raclopride BP(ND) in the dorsal putamen significantly predicted HA. This is the first study using PET and the radioligands [(11)C]McN5652 and [(11)C]raclopride to show a direct relationship between 5-HT transporter and striatal DA D2/D3 receptor binding in humans, supporting the possibility that 5-HT and DA interactions contribute to HA behaviors in EDs.

  12. Raman modes of MoS2 used as fingerprint of van der Waals interactions in 2-D crystal-based heterostructures.

    PubMed

    Zhou, Kai-Ge; Withers, Freddie; Cao, Yang; Hu, Sheng; Yu, Geliang; Casiraghi, Cinzia

    2014-10-28

    In this work, we use Raman spectroscopy as a nondestructive and rapid technique for probing the van der Waals (vdW) forces acting between two atomically thin crystals, where one is a transition metal dichalcogenide (TMDC). In this work, MoS2 is used as a Raman probe: we show that its two Raman-active phonon modes can provide information on the interaction between the two crystals. In particular, the in-plane vibration (E2g(1)) provides information on the in-plane strain, while the out-of-plane mode (A1g) gives evidence for the quality of the interfacial contact. We show that a vdW contact with MoS2 is characterized by a blue shift of +2 cm(-1) of the A1g peak. In the case of a MoS2/graphene heterostructure, the vdW contact is also characterized by a shift of +14 cm(-1) of the 2D peak of graphene. Our approach offers a very simple, nondestructive, and fast method to characterize the quality of the interface of heterostructures containing atomically thick TMDC crystals.

  13. Interplay of Ion-Water and Water-Water Interactions within the Hydration Shells of Nitrate and Carbonate Directly Probed with 2D IR Spectroscopy.

    PubMed

    Fournier, Joseph A; Carpenter, William; De Marco, Luigi; Tokmakoff, Andrei

    2016-08-01

    The long-range influence of ions in solution on the water hydrogen-bond (H-bond) network remains a topic of vigorous debate. Recent spectroscopic and theoretical studies have, for the most part, reached the consensus that weakly coordinating ions only affect water molecules in the first hydration shell. Here, we apply ultrafast broadband two-dimensional infrared (2D IR) spectroscopy to aqueous nitrate and carbonate in neat H2O to study the solvation structure and dynamics of ions on opposite ends of the Hofmeister series. By exciting both the water OH stretches and ion stretches and probing the associated cross-peaks between them, we are afforded a comprehensive view into the complex nature of ion hydration. We show in aqueous nitrate that weak ion-water H-bonding leads to water-water interactions in the ion solvation shells dominating the dynamics. In contrast, the carbonate CO stretches show significant mixing with the water OH stretches due to strong ion-water H-bonding such that the water and ion modes are intimately correlated. Further, the excitonic nature of vibrations in neat H2O, which spans multiple water molecules, is an important factor in describing ion hydration. We attribute these complex dynamics to the likely presence of intermediate-range effects influenced by waters beyond the first solvation shell. PMID:27404015

  14. Grid-Free 2D Plasma Simulations of the Complex Interaction Between the Solar Wind and Small, Near-Earth Asteroids

    NASA Technical Reports Server (NTRS)

    Zimmerman, M. I.; Farrell, W. M.; Poppe, A. R.

    2014-01-01

    We present results from a new grid-free 2D plasma simulation code applied to a small, unmagnetized body immersed in the streaming solar wind plasma. The body was purposely modeled as an irregular shape in order to examine photoemission and solar wind plasma flow in high detail on the dayside, night-side, terminator and surface-depressed 'pocket' regions. Our objective is to examine the overall morphology of the various plasma interaction regions that form around a small body like a small near-Earth asteroid (NEA). We find that the object obstructs the solar wind flow and creates a trailing wake region downstream, which involves the interplay between surface charging and ambipolar plasma expansion. Photoemission is modeled as a steady outflow of electrons from illuminated portions of the surface, and under direct illumination the surface forms a non-monotonic or ''double-sheath'' electric potential upstream of the body, which is important for understanding trajectories and equilibria of lofted dust grains in the presence of a complex asteroid geometry. The largest electric fields are found at the terminators, where ambipolar plasma expansion in the body-sized night-side wake merges seamlessly with the thin photoelectric sheath on the dayside. The pocket regions are found to be especially complex, with nearby sunlit regions of positive potential electrically connected to unlit negative potentials and forming adjacent natural electric dipoles. For objects near the surface, we find electrical dissipation times (through collection of local environmental solar wind currents) that vary over at least 5 orders of magnitude: from 39 Micro(s) inside the near-surface photoelectron cloud under direct sunlight to less than 1 s inside the particle-depleted night-side wake and shadowed pocket regions

  15. Perspectives for spintronics in 2D materials

    NASA Astrophysics Data System (ADS)

    Han, Wei

    2016-03-01

    The past decade has been especially creative for spintronics since the (re)discovery of various two dimensional (2D) materials. Due to the unusual physical characteristics, 2D materials have provided new platforms to probe the spin interaction with other degrees of freedom for electrons, as well as to be used for novel spintronics applications. This review briefly presents the most important recent and ongoing research for spintronics in 2D materials.

  16. Aniso2D

    2005-07-01

    Aniso2d is a two-dimensional seismic forward modeling code. The earth is parameterized by an X-Z plane in which the seismic properties Can have monoclinic with x-z plane symmetry. The program uses a user define time-domain wavelet to produce synthetic seismograms anrwhere within the two-dimensional media.

  17. Towards 2D nanocomposites

    NASA Astrophysics Data System (ADS)

    Jang, Hyun-Sook; Yu, Changqian; Hayes, Robert; Granick, Steve

    2015-03-01

    Polymer vesicles (``polymersomes'') are an intriguing class of soft materials, commonly used to encapsulate small molecules or particles. Here we reveal they can also effectively incorporate nanoparticles inside their polymer membrane, leading to novel ``2D nanocomposites.'' The embedded nanoparticles alter the capacity of the polymersomes to bend and to stretch upon external stimuli.

  18. Mesh2d

    2011-12-31

    Mesh2d is a Fortran90 program designed to generate two-dimensional structured grids of the form [x(i),y(i,j)] where [x,y] are grid coordinates identified by indices (i,j). The x(i) coordinates alone can be used to specify a one-dimensional grid. Because the x-coordinates vary only with the i index, a two-dimensional grid is composed in part of straight vertical lines. However, the nominally horizontal y(i,j0) coordinates along index i are permitted to undulate or otherwise vary. Mesh2d also assignsmore » an integer material type to each grid cell, mtyp(i,j), in a user-specified manner. The complete grid is specified through three separate input files defining the x(i), y(i,j), and mtyp(i,j) variations.« less

  19. 2D materials for nanophotonic devices

    NASA Astrophysics Data System (ADS)

    Xu, Renjing; Yang, Jiong; Zhang, Shuang; Pei, Jiajie; Lu, Yuerui

    2015-12-01

    Two-dimensional (2D) materials have become very important building blocks for electronic, photonic, and phononic devices. The 2D material family has four key members, including the metallic graphene, transition metal dichalcogenide (TMD) layered semiconductors, semiconducting black phosphorous, and the insulating h-BN. Owing to the strong quantum confinements and defect-free surfaces, these atomically thin layers have offered us perfect platforms to investigate the interactions among photons, electrons and phonons. The unique interactions in these 2D materials are very important for both scientific research and application engineering. In this talk, I would like to briefly summarize and highlight the key findings, opportunities and challenges in this field. Next, I will introduce/highlight our recent achievements. We demonstrated atomically thin micro-lens and gratings using 2D MoS2, which is the thinnest optical component around the world. These devices are based on our discovery that the elastic light-matter interactions in highindex 2D materials is very strong. Also, I would like to introduce a new two-dimensional material phosphorene. Phosphorene has strongly anisotropic optical response, which creates 1D excitons in a 2D system. The strong confinement in phosphorene also enables the ultra-high trion (charged exciton) binding energies, which have been successfully measured in our experiments. Finally, I will briefly talk about the potential applications of 2D materials in energy harvesting.

  20. Excitons and exciton-phonon interactions in 2D MoS2 , WS2 and WSe2 studied by resonance Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Pimenta, Marcos; Del Corro, Elena; Carvalho, Bruno; Malard, Leandro; Alves, Juliana; Fantini, Cristiano; Terrones, Humberto; Elias, Ana Laura; Terrones, Mauricio

    The 2D materials exhibit a very strong exciton binding energy, and the exciton-phonon coupling plays an important role in their optical properties. Resonance Raman spectroscopy (RRS) is a very useful tool to provide information about excitons and their couplings with phonons. We will present in this work a RRS study of different samples of 2D transition metal dichalcogenides (MoS2, WS2 and WSe2) with one, two and three layers (1L, 2L, 3L) and bulk samples, using more than 30 different laser excitation lines covering the visible range. We have observed that all Raman features are enhanced by resonances with excitonic transitions. From the laser energy dependence of the Raman excitation profile (REP) we obtained the energies of the excitonic states and their dependence with the number of atomic layers.. In the case of MoS2, we observed that the electron-phonon coupling is symmetry dependent, and our results provide experimental evidence of the C exciton recently predicted theoretically. The RRS results WSe2 show that the Raman modes are enhanced by the excited excitonic states and we will present the dependence of the excited states energies on the number of layers.

  1. Interaction of an acoustical 2D-beam with an elastic cylinder with arbitrary location in a non-viscous fluid.

    PubMed

    Mitri, F G

    2015-09-01

    The classical Resonance Scattering Theory (RST) for plane waves in acoustics is generalized for the case of a 2D arbitrarily-shaped beam incident upon an elastic cylinder with arbitrary location that is immersed in a nonviscous fluid. The formulation is valid for an elastic (or viscoelastic) cylinder (or a cylindrical shell, a layered cylinder/shell, or a multilayered cylindrical shell, etc.) of any size and material. Partial-wave series expansions (PWSEs) for the incident, internal and scattered fields are derived, and numerical examples illustrate the theory. The wave-fields are expressed using a generalized PWSE involving the beam-shape coefficients (BSCs) and the scattering coefficients of the cylinder. When the beam is shifted off the center of the cylinder, the off-axial BSCs are evaluated by performing standard numerical integration. Acoustic resonance scattering directivity diagrams are calculated by subtracting an appropriate background from the expression of the scattered pressure field. The properties related to the arbitrary scattering of a zeroth-order quasi-Gaussian cylindrical beam (chosen as an example) by an elastic brass cylinder centered on the axis of wave propagation of the beam, and shifted off-axially are analyzed and discussed. Moreover, the total and resonance backscattering form function moduli are numerically computed, and the results discussed with emphasis on the contribution of the surface waves circumnavigating the cylinder circular surface to the resonance backscattering. Furthermore, the analysis is extended to derive general expressions for the axial and transverse acoustic radiation force functions for the cylinder in any 2D beam of arbitrary shape. Examples are provided for a zeroth-order quasi Gaussian cylindrical beam with different waist. Potential applications are in underwater and physical acoustics, however, ongoing research in biomedical ultrasound, non-destructive evaluation, imaging, manufacturing, instrumentation, and

  2. Unparticle example in 2D.

    PubMed

    Georgi, Howard; Kats, Yevgeny

    2008-09-26

    We discuss what can be learned about unparticle physics by studying simple quantum field theories in one space and one time dimension. We argue that the exactly soluble 2D theory of a massless fermion coupled to a massive vector boson, the Sommerfield model, is an interesting analog of a Banks-Zaks model, approaching a free theory at high energies and a scale-invariant theory with nontrivial anomalous dimensions at low energies. We construct a toy standard model coupling to the fermions in the Sommerfield model and study how the transition from unparticle behavior at low energies to free particle behavior at high energies manifests itself in interactions with the toy standard model particles.

  3. Effects of the electron-electron interaction in the spin resonance in 2D systems with Dresselhaus spin-orbit coupling

    SciTech Connect

    Krishtopenko, S. S.

    2015-02-15

    The effect of the electron-electron interaction on the spin-resonance frequency in two-dimensional electron systems with Dresselhaus spin-orbit coupling is investigated. The oscillatory dependence of many-body corrections on the magnetic field is demonstrated. It is shown that the consideration of many-body interaction leads to a decrease or an increase in the spin-resonance frequency, depending on the sign of the g factor. It is found that the term cubic in quasimomentum in Dresselhaus spin-orbit coupling partially decreases exchange corrections to the spin resonance energy in a two-dimensional system.

  4. Glitter in a 2D monolayer.

    PubMed

    Yang, Li-Ming; Dornfeld, Matthew; Frauenheim, Thomas; Ganz, Eric

    2015-10-21

    We predict a highly stable and robust atomically thin gold monolayer with a hexagonal close packed lattice stabilized by metallic bonding with contributions from strong relativistic effects and aurophilic interactions. We have shown that the framework of the Au monolayer can survive 10 ps MD annealing simulations up to 1400 K. The framework is also able to survive large motions out of the plane. Due to the smaller number of bonds per atom in the 2D layer compared to the 3D bulk we observe significantly enhanced energy per bond (0.94 vs. 0.52 eV per bond). This is similar to the increase in bond strength going from 3D diamond to 2D graphene. It is a non-magnetic metal, and was found to be the global minima in the 2D space. Phonon dispersion calculations demonstrate high kinetic stability with no negative modes. This 2D gold monolayer corresponds to the top monolayer of the bulk Au(111) face-centered cubic lattice. The close-packed lattice maximizes the aurophilic interactions. We find that the electrons are completely delocalized in the plane and behave as 2D nearly free electron gas. We hope that the present work can inspire the experimental fabrication of novel free standing 2D metal systems.

  5. Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug–Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors

    PubMed Central

    2016-01-01

    In recent years, the first generation of β-secretase (BACE1) inhibitors advanced into clinical development for the treatment of Alzheimer’s disease (AD). However, the alignment of drug-like properties and selectivity remains a major challenge. Herein, we describe the discovery of a novel class of potent, low clearance, CNS penetrant BACE1 inhibitors represented by thioamidine 5. Further profiling suggested that a high fraction of the metabolism (>95%) was due to CYP2D6, increasing the potential risk for victim-based drug–drug interactions (DDI) and variable exposure in the clinic due to the polymorphic nature of this enzyme. To guide future design, we solved crystal structures of CYP2D6 complexes with substrate 5 and its corresponding metabolic product pyrazole 6, which provided insight into the binding mode and movements between substrate/inhibitor complexes. Guided by the BACE1 and CYP2D6 crystal structures, we designed and synthesized analogues with reduced risk for DDI, central efficacy, and improved hERG therapeutic margins. PMID:25781223

  6. 2-d Finite Element Code Postprocessor

    1996-07-15

    ORION is an interactive program that serves as a postprocessor for the analysis programs NIKE2D, DYNA2D, TOPAZ2D, and CHEMICAL TOPAZ2D. ORION reads binary plot files generated by the two-dimensional finite element codes currently used by the Methods Development Group at LLNL. Contour and color fringe plots of a large number of quantities may be displayed on meshes consisting of triangular and quadrilateral elements. ORION can compute strain measures, interface pressures along slide lines, reaction forcesmore » along constrained boundaries, and momentum. ORION has been applied to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.« less

  7. Brittle damage models in DYNA2D

    SciTech Connect

    Faux, D.R.

    1997-09-01

    DYNA2D is an explicit Lagrangian finite element code used to model dynamic events where stress wave interactions influence the overall response of the system. DYNA2D is often used to model penetration problems involving ductile-to-ductile impacts; however, with the advent of the use of ceramics in the armor-anti-armor community and the need to model damage to laser optics components, good brittle damage models are now needed in DYNA2D. This report will detail the implementation of four brittle damage models in DYNA2D, three scalar damage models and one tensor damage model. These new brittle damage models are then used to predict experimental results from three distinctly different glass damage problems.

  8. An evaluation of the CYP2D6 and CYP3A4 inhibition potential of metoprolol metabolites and their contribution to drug-drug and drug-herb interaction by LC-ESI/MS/MS.

    PubMed

    Borkar, Roshan M; Bhandi, Murali Mohan; Dubey, Ajay P; Ganga Reddy, V; Komirishetty, Prashanth; Nandekar, Prajwal P; Sangamwar, Abhay T; Kamal, Ahmed; Banerjee, Sanjay K; Srinivas, R

    2016-10-01

    The aim of the present study was to evaluate the contribution of metabolites to drug-drug interaction and drug-herb interaction using the inhibition of CYP2D6 and CYP3A4 by metoprolol (MET) and its metabolites. The peak concentrations of unbound plasma concentration of MET, α-hydroxy metoprolol (HM), O-desmethyl metoprolol (ODM) and N-desisopropyl metoprolol (DIM) were 90.37 ± 2.69, 33.32 ± 1.92, 16.93 ± 1.70 and 7.96 ± 0.94 ng/mL, respectively. The metabolites identified, HM and ODM, had a ratio of metabolic area under the concentration-time curve (AUC) to parent AUC of ≥0.25 when either total or unbound concentration of metabolite was considered. In vitro CYP2D6 and CYP3A4 inhibition by MET, HM and ODM study revealed that MET, HM and ODM were not inhibitors of CYP3A4-catalyzed midazolam metabolism and CYP2D6-catalyzed dextromethorphan metabolism. However, DIM only met the criteria of >10% of the total drug related material and <25% of the parent using unbound concentrations. If CYP inhibition testing is solely based on metabolite exposure, DIM metabolite would probably not be considered. However, the present study has demonstrated that DIM contributes significantly to in vitro drug-drug interaction. Copyright © 2016 John Wiley & Sons, Ltd.

  9. Generates 2D Input for DYNA NIKE & TOPAZ

    SciTech Connect

    Hallquist, J. O.; Sanford, Larry

    1996-07-15

    MAZE is an interactive program that serves as an input and two-dimensional mesh generator for DYNA2D, NIKE2D, TOPAZ2D, and CHEMICAL TOPAZ2D. MAZE also generates a basic template for ISLAND input. MAZE has been applied to the generation of input data to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  10. MAZE96. Generates 2D Input for DYNA NIKE & TOPAZ

    SciTech Connect

    Sanford, L.; Hallquist, J.O.

    1992-02-24

    MAZE is an interactive program that serves as an input and two-dimensional mesh generator for DYNA2D, NIKE2D, TOPAZ2D, and CHEMICAL TOPAZ2D. MAZE also generates a basic template for ISLAND input. MAZE has been applied to the generation of input data to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  11. Modeling chemical interaction profiles: I. Spectral data-activity relationship and structure-activity relationship models for inhibitors and non-inhibitors of cytochrome P450 CYP3A4 and CYP2D6 isozymes.

    PubMed

    McPhail, Brooks; Tie, Yunfeng; Hong, Huixiao; Pearce, Bruce A; Schnackenberg, Laura K; Ge, Weigong; Valerio, Luis G; Fuscoe, James C; Tong, Weida; Buzatu, Dan A; Wilkes, Jon G; Fowler, Bruce A; Demchuk, Eugene; Beger, Richard D

    2012-03-15

    An interagency collaboration was established to model chemical interactions that may cause adverse health effects when an exposure to a mixture of chemicals occurs. Many of these chemicals--drugs, pesticides, and environmental pollutants--interact at the level of metabolic biotransformations mediated by cytochrome P450 (CYP) enzymes. In the present work, spectral data-activity relationship (SDAR) and structure-activity relationship (SAR) approaches were used to develop machine-learning classifiers of inhibitors and non-inhibitors of the CYP3A4 and CYP2D6 isozymes. The models were built upon 602 reference pharmaceutical compounds whose interactions have been deduced from clinical data, and 100 additional chemicals that were used to evaluate model performance in an external validation (EV) test. SDAR is an innovative modeling approach that relies on discriminant analysis applied to binned nuclear magnetic resonance (NMR) spectral descriptors. In the present work, both 1D ¹³C and 1D ¹⁵N-NMR spectra were used together in a novel implementation of the SDAR technique. It was found that increasing the binning size of 1D ¹³C-NMR and ¹⁵N-NMR spectra caused an increase in the tenfold cross-validation (CV) performance in terms of both the rate of correct classification and sensitivity. The results of SDAR modeling were verified using SAR. For SAR modeling, a decision forest approach involving from 6 to 17 Mold2 descriptors in a tree was used. Average rates of correct classification of SDAR and SAR models in a hundred CV tests were 60% and 61% for CYP3A4, and 62% and 70% for CYP2D6, respectively. The rates of correct classification of SDAR and SAR models in the EV test were 73% and 86% for CYP3A4, and 76% and 90% for CYP2D6, respectively. Thus, both SDAR and SAR methods demonstrated a comparable performance in modeling a large set of structurally diverse data. Based on unique NMR structural descriptors, the new SDAR modeling method complements the existing SAR

  12. Tailoring the nature and strength of electron-phonon interactions in the SrTiO3(001) 2D electron liquid.

    PubMed

    Wang, Z; McKeown Walker, S; Tamai, A; Wang, Y; Ristic, Z; Bruno, F Y; de la Torre, A; Riccò, S; Plumb, N C; Shi, M; Hlawenka, P; Sánchez-Barriga, J; Varykhalov, A; Kim, T K; Hoesch, M; King, P D C; Meevasana, W; Diebold, U; Mesot, J; Moritz, B; Devereaux, T P; Radovic, M; Baumberger, F

    2016-08-01

    Surfaces and interfaces offer new possibilities for tailoring the many-body interactions that dominate the electrical and thermal properties of transition metal oxides. Here, we use the prototypical two-dimensional electron liquid (2DEL) at the SrTiO3(001) surface to reveal a remarkably complex evolution of electron-phonon coupling with the tunable carrier density of this system. At low density, where superconductivity is found in the analogous 2DEL at the LaAlO3/SrTiO3 interface, our angle-resolved photoemission data show replica bands separated by 100 meV from the main bands. This is a hallmark of a coherent polaronic liquid and implies long-range coupling to a single longitudinal optical phonon branch. In the overdoped regime the preferential coupling to this branch decreases and the 2DEL undergoes a crossover to a more conventional metallic state with weaker short-range electron-phonon interaction. These results place constraints on the theoretical description of superconductivity and allow a unified understanding of the transport properties in SrTiO3-based 2DELs. PMID:27064529

  13. Tailoring the nature and strength of electron-phonon interactions in the SrTiO3(001) 2D electron liquid.

    PubMed

    Wang, Z; McKeown Walker, S; Tamai, A; Wang, Y; Ristic, Z; Bruno, F Y; de la Torre, A; Riccò, S; Plumb, N C; Shi, M; Hlawenka, P; Sánchez-Barriga, J; Varykhalov, A; Kim, T K; Hoesch, M; King, P D C; Meevasana, W; Diebold, U; Mesot, J; Moritz, B; Devereaux, T P; Radovic, M; Baumberger, F

    2016-08-01

    Surfaces and interfaces offer new possibilities for tailoring the many-body interactions that dominate the electrical and thermal properties of transition metal oxides. Here, we use the prototypical two-dimensional electron liquid (2DEL) at the SrTiO3(001) surface to reveal a remarkably complex evolution of electron-phonon coupling with the tunable carrier density of this system. At low density, where superconductivity is found in the analogous 2DEL at the LaAlO3/SrTiO3 interface, our angle-resolved photoemission data show replica bands separated by 100 meV from the main bands. This is a hallmark of a coherent polaronic liquid and implies long-range coupling to a single longitudinal optical phonon branch. In the overdoped regime the preferential coupling to this branch decreases and the 2DEL undergoes a crossover to a more conventional metallic state with weaker short-range electron-phonon interaction. These results place constraints on the theoretical description of superconductivity and allow a unified understanding of the transport properties in SrTiO3-based 2DELs.

  14. Tailoring the nature and strength of electron-phonon interactions in the SrTiO3(001) 2D electron liquid

    NASA Astrophysics Data System (ADS)

    Wang, Z.; McKeown Walker, S.; Tamai, A.; Wang, Y.; Ristic, Z.; Bruno, F. Y.; de la Torre, A.; Riccò, S.; Plumb, N. C.; Shi, M.; Hlawenka, P.; Sánchez-Barriga, J.; Varykhalov, A.; Kim, T. K.; Hoesch, M.; King, P. D. C.; Meevasana, W.; Diebold, U.; Mesot, J.; Moritz, B.; Devereaux, T. P.; Radovic, M.; Baumberger, F.

    2016-08-01

    Surfaces and interfaces offer new possibilities for tailoring the many-body interactions that dominate the electrical and thermal properties of transition metal oxides. Here, we use the prototypical two-dimensional electron liquid (2DEL) at the SrTiO3(001) surface to reveal a remarkably complex evolution of electron-phonon coupling with the tunable carrier density of this system. At low density, where superconductivity is found in the analogous 2DEL at the LaAlO3/SrTiO3 interface, our angle-resolved photoemission data show replica bands separated by 100 meV from the main bands. This is a hallmark of a coherent polaronic liquid and implies long-range coupling to a single longitudinal optical phonon branch. In the overdoped regime the preferential coupling to this branch decreases and the 2DEL undergoes a crossover to a more conventional metallic state with weaker short-range electron-phonon interaction. These results place constraints on the theoretical description of superconductivity and allow a unified understanding of the transport properties in SrTiO3-based 2DELs.

  15. Radiofrequency Spectroscopy and Thermodynamics of Fermi Gases in the 2D to Quasi-2D Dimensional Crossover

    NASA Astrophysics Data System (ADS)

    Cheng, Chingyun; Kangara, Jayampathi; Arakelyan, Ilya; Thomas, John

    2016-05-01

    We tune the dimensionality of a strongly interacting degenerate 6 Li Fermi gas from 2D to quasi-2D, by adjusting the radial confinement of pancake-shaped clouds to control the radial chemical potential. In the 2D regime with weak radial confinement, the measured pair binding energies are in agreement with 2D-BCS mean field theory, which predicts dimer pairing energies in the many-body regime. In the qausi-2D regime obtained with increased radial confinement, the measured pairing energy deviates significantly from 2D-BCS theory. In contrast to the pairing energy, the measured radii of the cloud profiles are not fit by 2D-BCS theory in either the 2D or quasi-2D regimes, but are fit in both regimes by a beyond mean field polaron-model of the free energy. Supported by DOE, ARO, NSF, and AFOSR.

  16. An Easily Accessible Self-Healing Transparent Film Based on a 2D Supramolecular Network of Hydrogen-Bonding Interactions between Polymeric Chains.

    PubMed

    Roy, Nabarun; Tomović, Željko; Buhler, Eric; Lehn, Jean-Marie

    2016-09-12

    Self-healing polymers hold great promise for the future, enhancing in particular the longevity of polymeric materials. We describe a self-healing covalent polymer, presenting an extensive array of hydrogen-bonding sites based on the combination of urea, urethane, and bis-acyl-hydrazine units. Solvent-cast thin-films prepared by polycondensation of a commercially available dihydrazide and a diisocyanate prepolymer exhibited excellent room temperature autonomous healing with almost full recovery of mechanical properties when two parts of a cut film were overlapped and gently pressed together. This autonomous healing upon damage may be attributed to the supramolecular dynamics of multiple lateral inter-chain hydrogen-bonding interactions between the polymer chains. The solid-state structure of a model compound incorporating the same structural backbone corroborates the existence of an extensive two-dimensional supramolecular hydrogen-bonding network. PMID:27226034

  17. High divergent 2D grating

    NASA Astrophysics Data System (ADS)

    Wang, Jin; Ma, Jianyong; Zhou, Changhe

    2014-11-01

    A 3×3 high divergent 2D-grating with period of 3.842μm at wavelength of 850nm under normal incidence is designed and fabricated in this paper. This high divergent 2D-grating is designed by the vector theory. The Rigorous Coupled Wave Analysis (RCWA) in association with the simulated annealing (SA) is adopted to calculate and optimize this 2D-grating.The properties of this grating are also investigated by the RCWA. The diffraction angles are more than 10 degrees in the whole wavelength band, which are bigger than the traditional 2D-grating. In addition, the small period of grating increases the difficulties of fabrication. So we fabricate the 2D-gratings by direct laser writing (DLW) instead of traditional manufacturing method. Then the method of ICP etching is used to obtain the high divergent 2D-grating.

  18. 2D MI-DRAGON: a new predictor for protein-ligands interactions and theoretic-experimental studies of US FDA drug-target network, oxoisoaporphine inhibitors for MAO-A and human parasite proteins.

    PubMed

    Prado-Prado, Francisco; García-Mera, Xerardo; Escobar, Manuel; Sobarzo-Sánchez, Eduardo; Yañez, Matilde; Riera-Fernandez, Pablo; González-Díaz, Humberto

    2011-12-01

    There are many pairs of possible Drug-Proteins Interactions that may take place or not (DPIs/nDPIs) between drugs with high affinity/non-affinity for different proteins. This fact makes expensive in terms of time and resources, for instance, the determination of all possible ligands-protein interactions for a single drug. In this sense, we can use Quantitative Structure-Activity Relationships (QSAR) models to carry out rational DPIs prediction. Unfortunately, almost all QSAR models predict activity against only one target. To solve this problem we can develop multi-target QSAR (mt-QSAR) models. In this work, we introduce the technique 2D MI-DRAGON a new predictor for DPIs based on two different well-known software. We use the software MARCH-INSIDE (MI) to calculate 3D structural parameters for targets and the software DRAGON was used to calculated 2D molecular descriptors all drugs showing known DPIs present in the Drug Bank (US FDA benchmark dataset). Both classes of parameters were used as input of different Artificial Neural Network (ANN) algorithms to seek an accurate non-linear mt-QSAR predictor. The best ANN model found is a Multi-Layer Perceptron (MLP) with profile MLP 21:21-31-1:1. This MLP classifies correctly 303 out of 339 DPIs (Sensitivity = 89.38%) and 480 out of 510 nDPIs (Specificity = 94.12%), corresponding to training Accuracy = 92.23%. The validation of the model was carried out by means of external predicting series with Sensitivity = 92.18% (625/678 DPIs; Specificity = 90.12% (730/780 nDPIs) and Accuracy = 91.06%. 2D MI-DRAGON offers a good opportunity for fast-track calculation of all possible DPIs of one drug enabling us to re-construct large drug-target or DPIs Complex Networks (CNs). For instance, we reconstructed the CN of the US FDA benchmark dataset with 855 nodes 519 drugs+336 targets). We predicted CN with similar topology (observed and predicted values of average distance are equal to 6.7 vs. 6.6). These CNs can be used to explore

  19. Evaluation of the interactions of mu and delta selective ligands with (/sup 3/H)D-Ala/sup 2/-D-Leu/sup 5/-enkephalin binding to mouse brain membranes

    SciTech Connect

    Barrett, R.W.; Vaught, J.L.

    1983-12-12

    The interactions of putative mu and delta selective ligands with (/sup 3/H)D-ala/sup 2/-D-leu/sup 5/ enkephalin (DADLE) binding to mouse brain membranes were investigated. Computerized curve fitting of displacement curves performed at three different concentrations of /sup 3/H-DADLE indicated that at one site competitive model was sufficient to explain the interactions of leu-enkephalin (LE) and D-ser/sup 2/-thr/sup 6/-leucine enkephalin with /sup 3/H-DADLE binding. A two-site competitive model was required to adequately describe the interactions of these mu selective ligands with /sup 3/H-DADLE. This two-site model was one in which the inhibitor had higher affinity for the site labeled with lower affinity by /sup 3/H-DADLE. These data indicate that: putative mu and delta selective ligands do not bind to a common high affinity site; mu selective ligands are not simple mixed inhibitors of a single site labeled by /sup 3/H-DADLE; and competitive binding models may not explain the interaction of mu ligands with /sup 3/H-DADLE binding.

  20. Progression of cervical intraepithelial neoplasia to cervical cancer: interactions of cytochrome P450 CYP2D6 EM and glutathione s-transferase GSTM1 null genotypes and cigarette smoking.

    PubMed Central

    Warwick, A. P.; Redman, C. W.; Jones, P. W.; Fryer, A. A.; Gilford, J.; Alldersea, J.; Strange, R. C.

    1994-01-01

    The factors that determine progression of cervical intraepithelial neoplasia (CIN) to squamous cell carcinoma (SCC) are unknown. Cigarette smoking is an independent risk factor for cervical neoplasia, suggesting that polymorphism at detoxicating enzyme loci such as cytochrome P450 CYP2D6 and glutathione S-transferase GSTM1 may determine susceptibility to these cancers. We have studied the frequencies of genotypes at these loci in women suffering low-grade CIN, high-grade CIN and SCC. A non-cancer control group was provided by women with normal cervical histology suffering menorrhagia. Comparison of the frequency distributions of the CYP2D6 PM, HET and EM genotypes (G-->A transition at intron 3/exon 4 and base pair deletion in exon 5) revealed no significant differences between the menorrhagia and SCC groups. Frequency distributions in the menorrhagia group, however, were significantly different (P < 0.04) from those in the low- and high-grade CIN groups. Thus, the proportion of EM was significantly larger (P < 0.03) and of HET generally lower. We found that the frequency of GSTM1 null in the menorrhagia and case groups was not significantly different. Interactive effects of enzyme genotypes with cigarette smoking were studied by comparing the multinomial frequency distributions of CYP2D6 EM/GSTM1 null/smoking over mutually exclusive categories. These showed no significant differences between the menorrhagia group and SCC or low-grade CIN groups. The frequency distribution in high-grade CIN, however, was significantly different to that in the menorrhagia group and in both SCC and low-grade CIN groups. This study was identified, for the first time, an inherited characteristic in women with high-grade CIN who appear to be at reduced risk of SCC. Thus, women with CYP2D6 EM who smoke have increased susceptibility to high-grade CIN but are less likely to progress to SCC, possibly because they effectively detoxify an unidentified chemical involved in mediating disease

  1. Ultrafast 2D IR microscopy

    PubMed Central

    Baiz, Carlos R.; Schach, Denise; Tokmakoff, Andrei

    2014-01-01

    We describe a microscope for measuring two-dimensional infrared (2D IR) spectra of heterogeneous samples with μm-scale spatial resolution, sub-picosecond time resolution, and the molecular structure information of 2D IR, enabling the measurement of vibrational dynamics through correlations in frequency, time, and space. The setup is based on a fully collinear “one beam” geometry in which all pulses propagate along the same optics. Polarization, chopping, and phase cycling are used to isolate the 2D IR signals of interest. In addition, we demonstrate the use of vibrational lifetime as a contrast agent for imaging microscopic variations in molecular environments. PMID:25089490

  2. AnisWave 2D

    2004-08-01

    AnisWave2D is a 2D finite-difference code for a simulating seismic wave propagation in fully anisotropic materials. The code is implemented to run in parallel over multiple processors and is fully portable. A mesh refinement algorithm has been utilized to allow the grid-spacing to be tailored to the velocity model, avoiding the over-sampling of high-velocity materials that usually occurs in fixed-grid schemes.

  3. WFR-2D: an analytical model for PWAS-generated 2D ultrasonic guided wave propagation

    NASA Astrophysics Data System (ADS)

    Shen, Yanfeng; Giurgiutiu, Victor

    2014-03-01

    This paper presents WaveFormRevealer 2-D (WFR-2D), an analytical predictive tool for the simulation of 2-D ultrasonic guided wave propagation and interaction with damage. The design of structural health monitoring (SHM) systems and self-aware smart structures requires the exploration of a wide range of parameters to achieve best detection and quantification of certain types of damage. Such need for parameter exploration on sensor dimension, location, guided wave characteristics (mode type, frequency, wavelength, etc.) can be best satisfied with analytical models which are fast and efficient. The analytical model was constructed based on the exact 2-D Lamb wave solution using Bessel and Hankel functions. Damage effects were inserted in the model by considering the damage as a secondary wave source with complex-valued directivity scattering coefficients containing both amplitude and phase information from wave-damage interaction. The analytical procedure was coded with MATLAB, and a predictive simulation tool called WaveFormRevealer 2-D was developed. The wave-damage interaction coefficients (WDICs) were extracted from harmonic analysis of local finite element model (FEM) with artificial non-reflective boundaries (NRB). The WFR-2D analytical simulation results were compared and verified with full scale multiphysics finite element models and experiments with scanning laser vibrometer. First, Lamb wave propagation in a pristine aluminum plate was simulated with WFR-2D, compared with finite element results, and verified by experiments. Then, an inhomogeneity was machined into the plate to represent damage. Analytical modeling was carried out, and verified by finite element simulation and experiments. This paper finishes with conclusions and suggestions for future work.

  4. DYNA2D96. Explicit 2-D Hydrodynamic FEM Program

    SciTech Connect

    Whirley, R.G.

    1992-04-01

    DYNA2D is a vectorized, explicit, two-dimensional, axisymmetric and plane strain finite element program for analyzing the large deformation dynamic and hydrodynamic response of inelastic solids. DYNA2D contains 13 material models and 9 equations of state (EOS) to cover a wide range of material behavior. The material models implemented in all machine versions are: elastic, orthotropic elastic, kinematic/isotropic elastic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, rubber, high explosive burn, isotropic elastic-plastic, temperature-dependent elastic-plastic. The isotropic and temperature-dependent elastic-plastic models determine only the deviatoric stresses. Pressure is determined by one of 9 equations of state including linear polynomial, JWL high explosive, Sack Tuesday high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, and tabulated.

  5. Static & Dynamic Response of 2D Solids

    1996-07-15

    NIKE2D is an implicit finite-element code for analyzing the finite deformation, static and dynamic response of two-dimensional, axisymmetric, plane strain, and plane stress solids. The code is fully vectorized and available on several computing platforms. A number of material models are incorporated to simulate a wide range of material behavior including elasto-placicity, anisotropy, creep, thermal effects, and rate dependence. Slideline algorithms model gaps and sliding along material interfaces, including interface friction, penetration and single surfacemore » contact. Interactive-graphics and rezoning is included for analyses with large mesh distortions. In addition to quasi-Newton and arc-length procedures, adaptive algorithms can be defined to solve the implicit equations using the solution language ISLAND. Each of these capabilities and more make NIKE2D a robust analysis tool.« less

  6. Static & Dynamic Response of 2D Solids

    SciTech Connect

    Lin, Jerry

    1996-07-15

    NIKE2D is an implicit finite-element code for analyzing the finite deformation, static and dynamic response of two-dimensional, axisymmetric, plane strain, and plane stress solids. The code is fully vectorized and available on several computing platforms. A number of material models are incorporated to simulate a wide range of material behavior including elasto-placicity, anisotropy, creep, thermal effects, and rate dependence. Slideline algorithms model gaps and sliding along material interfaces, including interface friction, penetration and single surface contact. Interactive-graphics and rezoning is included for analyses with large mesh distortions. In addition to quasi-Newton and arc-length procedures, adaptive algorithms can be defined to solve the implicit equations using the solution language ISLAND. Each of these capabilities and more make NIKE2D a robust analysis tool.

  7. Quantum dynamics of H2, D2, and HD in the small dodecahedral cage of clathrate hydrate: evaluating H2-water nanocage interaction potentials by comparison of theory with inelastic neutron scattering experiments.

    PubMed

    Xu, Minzhong; Sebastianelli, Francesco; Bacić, Zlatko

    2008-06-28

    We have performed rigorous quantum five-dimensional (5D) calculations and analysis of the translation-rotation (T-R) energy levels of one H(2), D(2), and HD molecule inside the small dodecahedral (H(2)O)(20) cage of the structure II clathrate hydrate, which was treated as rigid. The H(2)- cage intermolecular potential energy surface (PES) used previously in the molecular dynamics simulations of the hydrogen hydrates [Alavi et al., J. Chem. Phys. 123, 024507 (2005)] was employed. This PES, denoted here as SPC/E, combines an effective, empirical water-water pair potential [Berendsen et al., J. Phys. Chem. 91, 6269 (1987)] and electrostatic interactions between the partial charges placed on H(2)O and H(2). The 5D T-R eigenstates of HD were calculated also on another 5D H(2)-cage PES denoted PA-D, used by us earlier to investigate the quantum T-R dynamics of H(2) and D(2) in the small cage [Xu et al., J. Phys. Chem. B 110, 24806 (2006)]. In the PA-D PES, the hydrogen-water pair potential is described by the ab initio 5D PES of the isolated H(2)-H(2)O dimer. The quality of the SPC/E and the PA-D H(2)-cage PESs was tested by direct comparison of the T-R excitation energies calculated on them to the results of two recent inelastic neutron scattering (INS) studies of H(2) and HD inside the small clathrate cage. The translational fundamental and overtone excitations, as well as the triplet splittings of the j=0-->j=1 rotational transitions, of H(2) and HD in the small cage calculated on the SPC/E PES agree very well with the INS results and represent a significant improvement over the results computed on the PA-D PES. Our calculations on the SPC/E PES also make predictions about several spectroscopic observables for the encapsulated H(2), D(2), and HD, which have not been measured yet. PMID:18601373

  8. MOSS2D V1

    2001-01-31

    This software reduces the data from two-dimensional kSA MOS program, k-Space Associates, Ann Arbor, MI. Initial MOS data is recorded without headers in 38 columns, with one row of data per acquisition per lase beam tracked. The final MOSS 2d data file is reduced, graphed, and saved in a tab-delimited column format with headers that can be plotted in any graphing software.

  9. A Scoping Analysis Of The Impact Of SiC Cladding On Late-Phase Accident Progression Involving Core–Concrete Interaction

    SciTech Connect

    Farmer, M. T.

    2015-11-01

    The overall objective of the current work is to carry out a scoping analysis to determine the impact of ATF on late phase accident progression; in particular, the molten core-concrete interaction portion of the sequence that occurs after the core debris fails the reactor vessel and relocates into containment. This additional study augments previous work by including kinetic effects that govern chemical reaction rates during core-concrete interaction. The specific ATF considered as part of this study is SiC-clad UO2.

  10. A simultaneous 2D/3D autostereo workstation

    NASA Astrophysics Data System (ADS)

    Chau, Dennis; McGinnis, Bradley; Talandis, Jonas; Leigh, Jason; Peterka, Tom; Knoll, Aaron; Sumer, Aslihan; Papka, Michael; Jellinek, Julius

    2012-03-01

    We present a novel immersive workstation environment that scientists can use for 3D data exploration and as their everyday 2D computer monitor. Our implementation is based on an autostereoscopic dynamic parallax barrier 2D/3D display, interactive input devices, and a software infrastructure that allows client/server software modules to couple the workstation to scientists' visualization applications. This paper describes the hardware construction and calibration, software components, and a demonstration of our system in nanoscale materials science exploration.

  11. Microwave Assisted 2D Materials Exfoliation

    NASA Astrophysics Data System (ADS)

    Wang, Yanbin

    Two-dimensional materials have emerged as extremely important materials with applications ranging from energy and environmental science to electronics and biology. Here we report our discovery of a universal, ultrafast, green, solvo-thermal technology for producing excellent-quality, few-layered nanosheets in liquid phase from well-known 2D materials such as such hexagonal boron nitride (h-BN), graphite, and MoS2. We start by mixing the uniform bulk-layered material with a common organic solvent that matches its surface energy to reduce the van der Waals attractive interactions between the layers; next, the solutions are heated in a commercial microwave oven to overcome the energy barrier between bulk and few-layers states. We discovered the minutes-long rapid exfoliation process is highly temperature dependent, which requires precise thermal management to obtain high-quality inks. We hypothesize a possible mechanism of this proposed solvo-thermal process; our theory confirms the basis of this novel technique for exfoliation of high-quality, layered 2D materials by using an as yet unknown role of the solvent.

  12. 2D quantum gravity from quantum entanglement.

    PubMed

    Gliozzi, F

    2011-01-21

    In quantum systems with many degrees of freedom the replica method is a useful tool to study the entanglement of arbitrary spatial regions. We apply it in a way that allows them to backreact. As a consequence, they become dynamical subsystems whose position, form, and extension are determined by their interaction with the whole system. We analyze, in particular, quantum spin chains described at criticality by a conformal field theory. Its coupling to the Gibbs' ensemble of all possible subsystems is relevant and drives the system into a new fixed point which is argued to be that of the 2D quantum gravity coupled to this system. Numerical experiments on the critical Ising model show that the new critical exponents agree with those predicted by the formula of Knizhnik, Polyakov, and Zamolodchikov.

  13. ORION96. 2-d Finite Element Code Postprocessor

    SciTech Connect

    Sanford, L.A.; Hallquist, J.O.

    1992-02-02

    ORION is an interactive program that serves as a postprocessor for the analysis programs NIKE2D, DYNA2D, TOPAZ2D, and CHEMICAL TOPAZ2D. ORION reads binary plot files generated by the two-dimensional finite element codes currently used by the Methods Development Group at LLNL. Contour and color fringe plots of a large number of quantities may be displayed on meshes consisting of triangular and quadrilateral elements. ORION can compute strain measures, interface pressures along slide lines, reaction forces along constrained boundaries, and momentum. ORION has been applied to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  14. Secretory pathways generating immunosuppressive NKG2D ligands

    PubMed Central

    Baragaño Raneros, Aroa; Suarez-Álvarez, Beatriz; López-Larrea, Carlos

    2014-01-01

    Natural Killer Group 2 member D (NKG2D) activating receptor, present on the surface of various immune cells, plays an important role in activating the anticancer immune response by their interaction with stress-inducible NKG2D ligands (NKG2DL) on transformed cells. However, cancer cells have developed numerous mechanisms to evade the immune system via the downregulation of NKG2DL from the cell surface, including the release of NKG2DL from the cell surface in a soluble form. Here, we review the mechanisms involved in the production of soluble NKG2DL (sNKG2DL) and the potential therapeutic strategies aiming to block the release of these immunosuppressive ligands. Therapeutically enabling the NKG2D-NKG2DL interaction would promote immunorecognition of malignant cells, thus abrogating disease progression. PMID:25050215

  15. T2D@ZJU: a knowledgebase integrating heterogeneous connections associated with type 2 diabetes mellitus.

    PubMed

    Yang, Zhenzhong; Yang, Jihong; Liu, Wei; Wu, Leihong; Xing, Li; Wang, Yi; Fan, Xiaohui; Cheng, Yiyu

    2013-01-01

    Type 2 diabetes mellitus (T2D), affecting >90% of the diabetic patients, is one of the major threats to human health. A comprehensive understanding of the mechanisms of T2D at molecular level is essential to facilitate the related translational research. Here, we introduce a comprehensive and up-to-date knowledgebase for T2D, i.e. T2D@ZJU. T2D@ZJU contains three levels of heterogeneous connections associated with T2D, which is retrieved from pathway databases, protein-protein interaction databases and literature, respectively. In current release, T2D@ZJU contains 1078 T2D related entities such as proteins, protein complexes, drugs and others together with their corresponding relationships, which include 3069 manually curated connections, 14,893 protein-protein interactions and 26,716 relationships identified by text-mining technology. Moreover, T2D@ZJU provides a user-friendly web interface for users to browse and search data. A Cytoscape Web-based interactive network browser is available to visualize the corresponding network relationships between T2D-related entities. The functionality of T2D@ZJU is shown by means of several case studies. Database URL: http://tcm.zju.edu.cn/t2d.

  16. Accurate coronary modeling procedure using 2D calibrated projections based on 2D centerline points on a single projection

    NASA Astrophysics Data System (ADS)

    Movassaghi, Babak; Rasche, Volker; Viergever, Max A.; Niessen, Wiro J.

    2004-05-01

    For the diagnosis of ischemic heart disease, accurate quantitative analysis of the coronary arteries is important. In coronary angiography, a number of projections is acquired from which 3D models of the coronaries can be reconstructed. A signifcant limitation of the current 3D modeling procedures is the required user interaction for defining the centerlines of the vessel structures in the 2D projections. Currently, the 3D centerlines of the coronary tree structure are calculated based on the interactively determined centerlines in two projections. For every interactively selected centerline point in a first projection the corresponding point in a second projection has to be determined interactively by the user. The correspondence is obtained based on the epipolar-geometry. In this paper a method is proposed to retrieve all the information required for the modeling procedure, by the interactive determination of the 2D centerline-points in only one projection. For every determined 2D centerline-point the corresponding 3D centerline-point is calculated by the analysis of the 1D gray value functions of the corresponding epipolarlines in space for all available 2D projections. This information is then used to build a 3D representation of the coronary arteries using coronary modeling techniques. The approach is illustrated on the analysis of calibrated phantom and calibrated coronary projection data.

  17. Quantitative 2D liquid-state NMR.

    PubMed

    Giraudeau, Patrick

    2014-06-01

    Two-dimensional (2D) liquid-state NMR has a very high potential to simultaneously determine the absolute concentration of small molecules in complex mixtures, thanks to its capacity to separate overlapping resonances. However, it suffers from two main drawbacks that probably explain its relatively late development. First, the 2D NMR signal is strongly molecule-dependent and site-dependent; second, the long duration of 2D NMR experiments prevents its general use for high-throughput quantitative applications and affects its quantitative performance. Fortunately, the last 10 years has witnessed an increasing number of contributions where quantitative approaches based on 2D NMR were developed and applied to solve real analytical issues. This review aims at presenting these recent efforts to reach a high trueness and precision in quantitative measurements by 2D NMR. After highlighting the interest of 2D NMR for quantitative analysis, the different strategies to determine the absolute concentrations from 2D NMR spectra are described and illustrated by recent applications. The last part of the manuscript concerns the recent development of fast quantitative 2D NMR approaches, aiming at reducing the experiment duration while preserving - or even increasing - the analytical performance. We hope that this comprehensive review will help readers to apprehend the current landscape of quantitative 2D NMR, as well as the perspectives that may arise from it.

  18. Inhibitory effects of phytochemicals on metabolic capabilities of CYP2D6*1 and CYP2D6*10 using cell-based models in vitro

    PubMed Central

    Qu, Qiang; Qu, Jian; Han, Lu; Zhan, Min; Wu, Lan-xiang; Zhang, Yi-wen; Zhang, Wei; Zhou, Hong-hao

    2014-01-01

    Aim: Herbal products have been widely used, and the safety of herb-drug interactions has aroused intensive concerns. This study aimed to investigate the effects of phytochemicals on the catalytic activities of human CYP2D6*1 and CYP2D6*10 in vitro. Methods: HepG2 cells were stably transfected with CYP2D6*1 and CYP2D6*10 expression vectors. The metabolic kinetics of the enzymes was studied using HPLC and fluorimetry. Results: HepG2-CYP2D6*1 and HepG2-CYP2D6*10 cell lines were successfully constructed. Among the 63 phytochemicals screened, 6 compounds, including coptisine sulfate, bilobalide, schizandrin B, luteolin, schizandrin A and puerarin, at 100 μmol/L inhibited CYP2D6*1- and CYP2D6*10-mediated O-demethylation of a coumarin compound AMMC by more than 50%. Furthermore, the inhibition by these compounds was dose-dependent. Eadie-Hofstee plots demonstrated that these compounds competitively inhibited CYP2D6*1 and CYP2D6*10. However, their Ki values for CYP2D6*1 and CYP2D6*10 were very close, suggesting that genotype-dependent herb-drug inhibition was similar between the two variants. Conclusion: Six phytochemicals inhibit CYP2D6*1 and CYP2D6*10-mediated catalytic activities in a dose-dependent manner in vitro. Thus herbal products containing these phytochemicals may inhibit the in vivo metabolism of co-administered drugs whose primary route of elimination is CYP2D6. PMID:24786236

  19. Spreading dynamics of 2D dipolar Langmuir monolayer phases.

    PubMed

    Heinig, P; Wurlitzer, S; Fischer, Th M

    2004-07-01

    We study the spreading of a liquid 2D dipolar droplet in a Langmuir monolayer. Interfacial tensions (line tensions) and microscopic contact angles depend on the scale on which they are probed and obey a scaling law. Assuming rapid equilibration of the microscopic contact angle and ideal slippage of the 2D solid/liquid and solid/gas boundary, the driving force of spreading is merely expressed by the shape-dependent long-range interaction integrals. We obtain good agreement between experiment and numerical simulations using this theory. PMID:15278693

  20. Staring 2-D hadamard transform spectral imager

    DOEpatents

    Gentry, Stephen M.; Wehlburg, Christine M.; Wehlburg, Joseph C.; Smith, Mark W.; Smith, Jody L.

    2006-02-07

    A staring imaging system inputs a 2D spatial image containing multi-frequency spectral information. This image is encoded in one dimension of the image with a cyclic Hadamarid S-matrix. The resulting image is detecting with a spatial 2D detector; and a computer applies a Hadamard transform to recover the encoded image.

  1. Digit ratio (2D:4D) and hand preference for writing in the BBC Internet Study.

    PubMed

    Manning, J T; Peters, M

    2009-09-01

    The ratio of the length of the second to the fourth digit (2D:4D) may be negatively correlated with prenatal testosterone. Hand preference has been linked with prenatal testosterone and 2D:4D. Here we show that 2D:4D is associated with hand preference for writing in a large internet sample (n>170,000) in which participants self-reported their finger lengths. We replicated a significant association between right 2D:4D and writing hand preference (low right 2D:4D associated with left hand preference) as well as a significant correlation between writing hand preference and the difference between left and right 2D:4D or Dr-l (low Dr-l associated with left hand preference). A new significant correlation between left 2D:4D and writing hand preference was also shown (high left 2D:4D associated with left hand preference). There was a clear interaction between writing hand preference and 2D:4D: The left 2D:4D was significantly larger than the right 2D:4D in male and female left-handed writers, and the right hand 2D:4D was significantly larger than the left hand 2D:4D in male and female right-handed writers.

  2. Competing coexisting phases in 2D water

    PubMed Central

    Zanotti, Jean-Marc; Judeinstein, Patrick; Dalla-Bernardina, Simona; Creff, Gaëlle; Brubach, Jean-Blaise; Roy, Pascale; Bonetti, Marco; Ollivier, Jacques; Sakellariou, Dimitrios; Bellissent-Funel, Marie-Claire

    2016-01-01

    The properties of bulk water come from a delicate balance of interactions on length scales encompassing several orders of magnitudes: i) the Hydrogen Bond (HBond) at the molecular scale and ii) the extension of this HBond network up to the macroscopic level. Here, we address the physics of water when the three dimensional extension of the HBond network is frustrated, so that the water molecules are forced to organize in only two dimensions. We account for the large scale fluctuating HBond network by an analytical mean-field percolation model. This approach provides a coherent interpretation of the different events experimentally (calorimetry, neutron, NMR, near and far infra-red spectroscopies) detected in interfacial water at 160, 220 and 250 K. Starting from an amorphous state of water at low temperature, these transitions are respectively interpreted as the onset of creation of transient low density patches of 4-HBonded molecules at 160 K, the percolation of these domains at 220 K and finally the total invasion of the surface by them at 250 K. The source of this surprising behaviour in 2D is the frustration of the natural bulk tetrahedral local geometry and the underlying very significant increase in entropy of the interfacial water molecules. PMID:27185018

  3. Competing coexisting phases in 2D water

    NASA Astrophysics Data System (ADS)

    Zanotti, Jean-Marc; Judeinstein, Patrick; Dalla-Bernardina, Simona; Creff, Gaëlle; Brubach, Jean-Blaise; Roy, Pascale; Bonetti, Marco; Ollivier, Jacques; Sakellariou, Dimitrios; Bellissent-Funel, Marie-Claire

    2016-05-01

    The properties of bulk water come from a delicate balance of interactions on length scales encompassing several orders of magnitudes: i) the Hydrogen Bond (HBond) at the molecular scale and ii) the extension of this HBond network up to the macroscopic level. Here, we address the physics of water when the three dimensional extension of the HBond network is frustrated, so that the water molecules are forced to organize in only two dimensions. We account for the large scale fluctuating HBond network by an analytical mean-field percolation model. This approach provides a coherent interpretation of the different events experimentally (calorimetry, neutron, NMR, near and far infra-red spectroscopies) detected in interfacial water at 160, 220 and 250 K. Starting from an amorphous state of water at low temperature, these transitions are respectively interpreted as the onset of creation of transient low density patches of 4-HBonded molecules at 160 K, the percolation of these domains at 220 K and finally the total invasion of the surface by them at 250 K. The source of this surprising behaviour in 2D is the frustration of the natural bulk tetrahedral local geometry and the underlying very significant increase in entropy of the interfacial water molecules.

  4. Internal Photoemission Spectroscopy of 2-D Materials

    NASA Astrophysics Data System (ADS)

    Nguyen, Nhan; Li, Mingda; Vishwanath, Suresh; Yan, Rusen; Xiao, Shudong; Xing, Huili; Cheng, Guangjun; Hight Walker, Angela; Zhang, Qin

    Recent research has shown the great benefits of using 2-D materials in the tunnel field-effect transistor (TFET), which is considered a promising candidate for the beyond-CMOS technology. The on-state current of TFET can be enhanced by engineering the band alignment of different 2D-2D or 2D-3D heterostructures. Here we present the internal photoemission spectroscopy (IPE) approach to determine the band alignments of various 2-D materials, in particular SnSe2 and WSe2, which have been proposed for new TFET designs. The metal-oxide-2-D semiconductor test structures are fabricated and characterized by IPE, where the band offsets from the 2-D semiconductor to the oxide conduction band minimum are determined by the threshold of the cube root of IPE yields as a function of photon energy. In particular, we find that SnSe2 has a larger electron affinity than most semiconductors and can be combined with other semiconductors to form near broken-gap heterojunctions with low barrier heights which can produce a higher on-state current. The details of data analysis of IPE and the results from Raman spectroscopy and spectroscopic ellipsometry measurements will also be presented and discussed.

  5. 2D materials: to graphene and beyond.

    PubMed

    Mas-Ballesté, Rubén; Gómez-Navarro, Cristina; Gómez-Herrero, Julio; Zamora, Félix

    2011-01-01

    This review is an attempt to illustrate the different alternatives in the field of 2D materials. Graphene seems to be just the tip of the iceberg and we show how the discovery of alternative 2D materials is starting to show the rest of this iceberg. The review comprises the current state-of-the-art of the vast literature in concepts and methods already known for isolation and characterization of graphene, and rationalizes the quite disperse literature in other 2D materials such as metal oxides, hydroxides and chalcogenides, and metal-organic frameworks.

  6. Matrix models of 2d gravity

    SciTech Connect

    Ginsparg, P.

    1991-01-01

    These are introductory lectures for a general audience that give an overview of the subject of matrix models and their application to random surfaces, 2d gravity, and string theory. They are intentionally 1.5 years out of date.

  7. Matrix models of 2d gravity

    SciTech Connect

    Ginsparg, P.

    1991-12-31

    These are introductory lectures for a general audience that give an overview of the subject of matrix models and their application to random surfaces, 2d gravity, and string theory. They are intentionally 1.5 years out of date.

  8. Chemical Approaches to 2D Materials.

    PubMed

    Samorì, Paolo; Palermo, Vincenzo; Feng, Xinliang

    2016-08-01

    Chemistry plays an ever-increasing role in the production, functionalization, processing and applications of graphene and other 2D materials. This special issue highlights a selection of enlightening chemical approaches to 2D materials, which nicely reflect the breadth of the field and convey the excitement of the individuals involved in it, who are trying to translate graphene and related materials from the laboratory into a real, high-impact technology. PMID:27478083

  9. Chemical Approaches to 2D Materials.

    PubMed

    Samorì, Paolo; Palermo, Vincenzo; Feng, Xinliang

    2016-08-01

    Chemistry plays an ever-increasing role in the production, functionalization, processing and applications of graphene and other 2D materials. This special issue highlights a selection of enlightening chemical approaches to 2D materials, which nicely reflect the breadth of the field and convey the excitement of the individuals involved in it, who are trying to translate graphene and related materials from the laboratory into a real, high-impact technology.

  10. 2d index and surface operators

    NASA Astrophysics Data System (ADS)

    Gadde, Abhijit; Gukov, Sergei

    2014-03-01

    In this paper we compute the superconformal index of 2d (2, 2) supersymmetric gauge theories. The 2d superconformal index, a.k.a. flavored elliptic genus, is computed by a unitary matrix integral much like the matrix integral that computes the 4d superconformal index. We compute the 2d index explicitly for a number of examples. In the case of abelian gauge theories we see that the index is invariant under flop transition and under CY-LG correspondence. The index also provides a powerful check of the Seiberg-type duality for non-abelian gauge theories discovered by Hori and Tong. In the later half of the paper, we study half-BPS surface operators in = 2 super-conformal gauge theories. They are engineered by coupling the 2d (2, 2) supersymmetric gauge theory living on the support of the surface operator to the 4d = 2 theory, so that different realizations of the same surface operator with a given Levi type are related by a 2d analogue of the Seiberg duality. The index of this coupled system is computed by using the tools developed in the first half of the paper. The superconformal index in the presence of surface defect is expected to be invariant under generalized S-duality. We demonstrate that it is indeed the case. In doing so the Seiberg-type duality of the 2d theory plays an important role.

  11. Three-bosons in 2D with a magnetic field

    NASA Astrophysics Data System (ADS)

    Rittenhouse, Seth; Johnson, Brad; Wray, Andrew; D'Incao, Jose

    2016-05-01

    Systems of interacting particles in reduced dimensions in the presence of external fields can exhibit a number of surprising behaviors, for instance the emergence of the fractional quantum Hall effect. Examining few-body interactions and effects can lead to significant insights within these systems. In this talk we examine a system of three bosons confined to two dimensions in the presence of a perpendicular magnetic field within the framework of the adiabatic hyperspherical method. For the case of zero-range, regularized pseudo-potential interactions, we find that the system is nearly separable in hyperspherical coordinates and that, away from a set of narrow avoided crossings, the full energy eigenspectrum as a function of the 2D s-wave scattering length is well described by ignoring coupling between adiabatic hyperradial potentials. In the case of weak attractive or repulsive interactions, we find the lowest three-body energy states exhibit even/odd parity oscillations as a function of total internal 2D angular momentum and that for weak repulsive interactions, the universal lowest energy interacting state has an internal angular momentum of M=3. We also discuss the effect of including finite range and higher partial-wave interactions.

  12. π-stacking and C-X...D (X = H, NO2; D = O, π) interactions in the crystal network of both C-H...N and π-stacked dimers of 1,2-bis(4-bromophenyl)-1H-benzimidazole and 2-(4-bromophenyl)-1-(4-nitrophenyl)-1H-benzimidazole.

    PubMed

    González-Padilla, Jazmin E; Rosales-Hernández, Martha C; Padilla-Martínez, Itzia I; García-Báez, Efren V; Rojas-Lima, Susana; Salazar-Pereda, Veronica

    2014-01-01

    Molecules of 1,2-bis(4-bromophenyl)-1H-benzimidazole, C19H12Br2N2, (I), and 2-(4-bromophenyl)-1-(4-nitrophenyl)-1H-benzimidazole, C19H12BrN3O2, (II), are arranged in dimeric units through C-H...N and parallel-displaced π-stacking interactions favoured by the appropriate disposition of N- and C-bonded phenyl rings with respect to the mean benzimidazole plane. The molecular packing of the dimers of (I) and (II) arises by the concurrence of a diverse set of weak intermolecular C-X...D (X = H, NO2; D = O, π) interactions.

  13. NKG2D ligands mediate immunosurveillance of senescent cells.

    PubMed

    Sagiv, Adi; Burton, Dominick G A; Moshayev, Zhana; Vadai, Ezra; Wensveen, Felix; Ben-Dor, Shifra; Golani, Ofra; Polic, Bojan; Krizhanovsky, Valery

    2016-02-01

    Cellular senescence is a stress response mechanism that limits tumorigenesis and tissue damage. Induction of cellular senescence commonly coincides with an immunogenic phenotype that promotes self-elimination by components of the immune system, thereby facilitating tumor suppression and limiting excess fibrosis during wound repair. The mechanisms by which senescent cells regulate their immune surveillance are not completely understood. Here we show that ligands of an activating Natural Killer (NK) cell receptor (NKG2D), MICA and ULBP2 are consistently up-regulated following induction of replicative senescence, oncogene-induced senescence and DNA damage - induced senescence. MICA and ULBP2 proteins are necessary for efficient NK-mediated cytotoxicity towards senescent fibroblasts. The mechanisms regulating the initial expression of NKG2D ligands in senescent cells are dependent on a DNA damage response, whilst continuous expression of these ligands is regulated by the ERK signaling pathway. In liver fibrosis, the accumulation of senescent activated stellate cells is increased in mice lacking NKG2D receptor leading to increased fibrosis. Overall, our results provide new insights into the mechanisms regulating the expression of immune ligands in senescent cells and reveal the importance of NKG2D receptor-ligand interaction in protecting against liver fibrosis. PMID:26878797

  14. Orthotropic Piezoelectricity in 2D Nanocellulose

    NASA Astrophysics Data System (ADS)

    García, Y.; Ruiz-Blanco, Yasser B.; Marrero-Ponce, Yovani; Sotomayor-Torres, C. M.

    2016-10-01

    The control of electromechanical responses within bonding regions is essential to face frontier challenges in nanotechnologies, such as molecular electronics and biotechnology. Here, we present Iβ-nanocellulose as a potentially new orthotropic 2D piezoelectric crystal. The predicted in-layer piezoelectricity is originated on a sui-generis hydrogen bonds pattern. Upon this fact and by using a combination of ab-initio and ad-hoc models, we introduce a description of electrical profiles along chemical bonds. Such developments lead to obtain a rationale for modelling the extended piezoelectric effect originated within bond scales. The order of magnitude estimated for the 2D Iβ-nanocellulose piezoelectric response, ~pm V‑1, ranks this material at the level of currently used piezoelectric energy generators and new artificial 2D designs. Such finding would be crucial for developing alternative materials to drive emerging nanotechnologies.

  15. Orthotropic Piezoelectricity in 2D Nanocellulose

    PubMed Central

    García, Y.; Ruiz-Blanco, Yasser B.; Marrero-Ponce, Yovani; Sotomayor-Torres, C. M.

    2016-01-01

    The control of electromechanical responses within bonding regions is essential to face frontier challenges in nanotechnologies, such as molecular electronics and biotechnology. Here, we present Iβ-nanocellulose as a potentially new orthotropic 2D piezoelectric crystal. The predicted in-layer piezoelectricity is originated on a sui-generis hydrogen bonds pattern. Upon this fact and by using a combination of ab-initio and ad-hoc models, we introduce a description of electrical profiles along chemical bonds. Such developments lead to obtain a rationale for modelling the extended piezoelectric effect originated within bond scales. The order of magnitude estimated for the 2D Iβ-nanocellulose piezoelectric response, ~pm V−1, ranks this material at the level of currently used piezoelectric energy generators and new artificial 2D designs. Such finding would be crucial for developing alternative materials to drive emerging nanotechnologies. PMID:27708364

  16. 2D microwave imaging reflectometer electronics

    SciTech Connect

    Spear, A. G.; Domier, C. W. Hu, X.; Muscatello, C. M.; Ren, X.; Luhmann, N. C.; Tobias, B. J.

    2014-11-15

    A 2D microwave imaging reflectometer system has been developed to visualize electron density fluctuations on the DIII-D tokamak. Simultaneously illuminated at four probe frequencies, large aperture optics image reflections from four density-dependent cutoff surfaces in the plasma over an extended region of the DIII-D plasma. Localized density fluctuations in the vicinity of the plasma cutoff surfaces modulate the plasma reflections, yielding a 2D image of electron density fluctuations. Details are presented of the receiver down conversion electronics that generate the in-phase (I) and quadrature (Q) reflectometer signals from which 2D density fluctuation data are obtained. Also presented are details on the control system and backplane used to manage the electronics as well as an introduction to the computer based control program.

  17. Optical modulators with 2D layered materials

    NASA Astrophysics Data System (ADS)

    Sun, Zhipei; Martinez, Amos; Wang, Feng

    2016-04-01

    Light modulation is an essential operation in photonics and optoelectronics. With existing and emerging technologies increasingly demanding compact, efficient, fast and broadband optical modulators, high-performance light modulation solutions are becoming indispensable. The recent realization that 2D layered materials could modulate light with superior performance has prompted intense research and significant advances, paving the way for realistic applications. In this Review, we cover the state of the art of optical modulators based on 2D materials, including graphene, transition metal dichalcogenides and black phosphorus. We discuss recent advances employing hybrid structures, such as 2D heterostructures, plasmonic structures, and silicon and fibre integrated structures. We also take a look at the future perspectives and discuss the potential of yet relatively unexplored mechanisms, such as magneto-optic and acousto-optic modulation.

  18. STEALTH - a Lagrange explicit finite-difference code for solid, structural, and thermohydraulic analysis. Volume 8A: STEALTH/WHAMSE - a 2-D fluid-structure interaction code. Computer code manual

    SciTech Connect

    Gross, M.B.

    1984-10-01

    STEALTH is a family of computer codes that can be used to calculate a variety of physical processes in which the dynamic behavior of a continuum is involved. The version of STEALTH described in this volume is designed for calculations of fluid-structure interaction. This version of the program consists of a hydrodynamic version of STEALTH which has been coupled to a finite-element code, WHAMSE. STEALTH computes the transient response of the fluid continuum, while WHAMSE computes the transient response of shell and beam structures under external fluid loadings. The coupling between STEALTH and WHAMSE is performed during each cycle or step of a calculation. Separate calculations of fluid response and structural response are avoided, thereby giving a more accurate model of the dynamic coupling between fluid and structure. This volume provides the theoretical background, the finite-difference equations, the finite-element equations, a discussion of several sample problems, a listing of the input decks for the sample problems, a programmer's manual and a description of the input records for the STEALTH/WHAMSE computer program.

  19. Inkjet printing of 2D layered materials.

    PubMed

    Li, Jiantong; Lemme, Max C; Östling, Mikael

    2014-11-10

    Inkjet printing of 2D layered materials, such as graphene and MoS2, has attracted great interests for emerging electronics. However, incompatible rheology, low concentration, severe aggregation and toxicity of solvents constitute critical challenges which hamper the manufacturing efficiency and product quality. Here, we introduce a simple and general technology concept (distillation-assisted solvent exchange) to efficiently overcome these challenges. By implementing the concept, we have demonstrated excellent jetting performance, ideal printing patterns and a variety of promising applications for inkjet printing of 2D layered materials. PMID:25169938

  20. Inkjet printing of 2D layered materials.

    PubMed

    Li, Jiantong; Lemme, Max C; Östling, Mikael

    2014-11-10

    Inkjet printing of 2D layered materials, such as graphene and MoS2, has attracted great interests for emerging electronics. However, incompatible rheology, low concentration, severe aggregation and toxicity of solvents constitute critical challenges which hamper the manufacturing efficiency and product quality. Here, we introduce a simple and general technology concept (distillation-assisted solvent exchange) to efficiently overcome these challenges. By implementing the concept, we have demonstrated excellent jetting performance, ideal printing patterns and a variety of promising applications for inkjet printing of 2D layered materials.

  1. Linkage studies for T2D in Chop and C/EBPbeta chromosomal regions in Italians.

    PubMed

    Gragnoli, Claudia; Pierpaoli, Laura; Piumelli, Nunzia; Chiaramonte, Francesco

    2007-11-01

    The genes causing type 2 diabetes (T2D), a complex heterogeneous disorder, differ and/or overlap in various populations. Among others there are two loci in linkage to T2D, the chromosomes 20q12-13.1 and 12q15. These two regions harbor two genes, C/EBPbeta and CHOP, which are excellent candidate genes for T2D. In fact, C/EBPbeta protein cooperates with HNF4alpha (MODY1, monogenic form of diabetes) and 1alpha (MODY3, monogenic form of diabetes). C/EBPbeta mediates suppression of insulin gene transcription in hyperglycemia and may contribute to insulin-resistance. It interacts in a complex pathway with the CHOP protein. CHOP may play a role in altered beta-cell glucose metabolism, in beta-cell apoptosis, and in lack of beta-cell replication. Thus, both C/EBPbeta and CHOP genes may independently and interactively contribute to T2D. The chromosomal regions targeting C/EBPbeta and CHOP genes have never been previously explored in T2D. We planned to identify their potential contribution to T2D in Italians. We have genotyped a group of affected siblings/families with both late- and early-onset T2D around the C/EBPbeta and the CHOP genes. We have performed non-parametric linkage analysis in the total T2D group, in the late-onset and the early-onset group, separately. We have identified a suggestive linkage to T2D in the CHOP gene locus in the early-onset T2D group (P = 0.04). We identified the linkage to T2D in the chromosome 12q15 region in the early-onset T2D families and specifically target the CHOP gene. Our next step will be the identification of CHOP gene variants, which may contribute to the linkage to T2D in Italians. PMID:17620318

  2. Parallel stitching of 2D materials

    DOE PAGES

    Ling, Xi; Wu, Lijun; Lin, Yuxuan; Ma, Qiong; Wang, Ziqiang; Song, Yi; Yu, Lili; Huang, Shengxi; Fang, Wenjing; Zhang, Xu; et al

    2016-01-27

    Diverse parallel stitched 2D heterostructures, including metal–semiconductor, semiconductor–semiconductor, and insulator–semiconductor, are synthesized directly through selective “sowing” of aromatic molecules as the seeds in the chemical vapor deposition (CVD) method. Lastly, the methodology enables the large-scale fabrication of lateral heterostructures, which offers tremendous potential for its application in integrated circuits.

  3. Parallel Stitching of 2D Materials.

    PubMed

    Ling, Xi; Lin, Yuxuan; Ma, Qiong; Wang, Ziqiang; Song, Yi; Yu, Lili; Huang, Shengxi; Fang, Wenjing; Zhang, Xu; Hsu, Allen L; Bie, Yaqing; Lee, Yi-Hsien; Zhu, Yimei; Wu, Lijun; Li, Ju; Jarillo-Herrero, Pablo; Dresselhaus, Mildred; Palacios, Tomás; Kong, Jing

    2016-03-23

    Diverse parallel stitched 2D heterostructures, including metal-semiconductor, semiconductor-semiconductor, and insulator-semiconductor, are synthesized directly through selective "sowing" of aromatic molecules as the seeds in the chemical vapor deposition (CVD) method. The methodology enables the large-scale fabrication of lateral heterostructures, which offers tremendous potential for its application in integrated circuits.

  4. Application of 2D Non-Graphene Materials and 2D Oxide Nanostructures for Biosensing Technology

    PubMed Central

    Shavanova, Kateryna; Bakakina, Yulia; Burkova, Inna; Shtepliuk, Ivan; Viter, Roman; Ubelis, Arnolds; Beni, Valerio; Starodub, Nickolaj; Yakimova, Rositsa; Khranovskyy, Volodymyr

    2016-01-01

    The discovery of graphene and its unique properties has inspired researchers to try to invent other two-dimensional (2D) materials. After considerable research effort, a distinct “beyond graphene” domain has been established, comprising the library of non-graphene 2D materials. It is significant that some 2D non-graphene materials possess solid advantages over their predecessor, such as having a direct band gap, and therefore are highly promising for a number of applications. These applications are not limited to nano- and opto-electronics, but have a strong potential in biosensing technologies, as one example. However, since most of the 2D non-graphene materials have been newly discovered, most of the research efforts are concentrated on material synthesis and the investigation of the properties of the material. Applications of 2D non-graphene materials are still at the embryonic stage, and the integration of 2D non-graphene materials into devices is scarcely reported. However, in recent years, numerous reports have blossomed about 2D material-based biosensors, evidencing the growing potential of 2D non-graphene materials for biosensing applications. This review highlights the recent progress in research on the potential of using 2D non-graphene materials and similar oxide nanostructures for different types of biosensors (optical and electrochemical). A wide range of biological targets, such as glucose, dopamine, cortisol, DNA, IgG, bisphenol, ascorbic acid, cytochrome and estradiol, has been reported to be successfully detected by biosensors with transducers made of 2D non-graphene materials. PMID:26861346

  5. Application of 2D Non-Graphene Materials and 2D Oxide Nanostructures for Biosensing Technology.

    PubMed

    Shavanova, Kateryna; Bakakina, Yulia; Burkova, Inna; Shtepliuk, Ivan; Viter, Roman; Ubelis, Arnolds; Beni, Valerio; Starodub, Nickolaj; Yakimova, Rositsa; Khranovskyy, Volodymyr

    2016-01-01

    The discovery of graphene and its unique properties has inspired researchers to try to invent other two-dimensional (2D) materials. After considerable research effort, a distinct "beyond graphene" domain has been established, comprising the library of non-graphene 2D materials. It is significant that some 2D non-graphene materials possess solid advantages over their predecessor, such as having a direct band gap, and therefore are highly promising for a number of applications. These applications are not limited to nano- and opto-electronics, but have a strong potential in biosensing technologies, as one example. However, since most of the 2D non-graphene materials have been newly discovered, most of the research efforts are concentrated on material synthesis and the investigation of the properties of the material. Applications of 2D non-graphene materials are still at the embryonic stage, and the integration of 2D non-graphene materials into devices is scarcely reported. However, in recent years, numerous reports have blossomed about 2D material-based biosensors, evidencing the growing potential of 2D non-graphene materials for biosensing applications. This review highlights the recent progress in research on the potential of using 2D non-graphene materials and similar oxide nanostructures for different types of biosensors (optical and electrochemical). A wide range of biological targets, such as glucose, dopamine, cortisol, DNA, IgG, bisphenol, ascorbic acid, cytochrome and estradiol, has been reported to be successfully detected by biosensors with transducers made of 2D non-graphene materials.

  6. Stochastic Inversion of 2D Magnetotelluric Data

    SciTech Connect

    Chen, Jinsong

    2010-07-01

    The algorithm is developed to invert 2D magnetotelluric (MT) data based on sharp boundary parametrization using a Bayesian framework. Within the algorithm, we consider the locations and the resistivity of regions formed by the interfaces are as unknowns. We use a parallel, adaptive finite-element algorithm to forward simulate frequency-domain MT responses of 2D conductivity structure. Those unknown parameters are spatially correlated and are described by a geostatistical model. The joint posterior probability distribution function is explored by Markov Chain Monte Carlo (MCMC) sampling methods. The developed stochastic model is effective for estimating the interface locations and resistivity. Most importantly, it provides details uncertainty information on each unknown parameter. Hardware requirements: PC, Supercomputer, Multi-platform, Workstation; Software requirements C and Fortan; Operation Systems/version is Linux/Unix or Windows

  7. Explicit 2-D Hydrodynamic FEM Program

    1996-08-07

    DYNA2D* is a vectorized, explicit, two-dimensional, axisymmetric and plane strain finite element program for analyzing the large deformation dynamic and hydrodynamic response of inelastic solids. DYNA2D* contains 13 material models and 9 equations of state (EOS) to cover a wide range of material behavior. The material models implemented in all machine versions are: elastic, orthotropic elastic, kinematic/isotropic elastic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, rubber, high explosive burn, isotropic elastic-plastic, temperature-dependent elastic-plastic. Themore » isotropic and temperature-dependent elastic-plastic models determine only the deviatoric stresses. Pressure is determined by one of 9 equations of state including linear polynomial, JWL high explosive, Sack Tuesday high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, and tabulated.« less

  8. Stochastic Inversion of 2D Magnetotelluric Data

    2010-07-01

    The algorithm is developed to invert 2D magnetotelluric (MT) data based on sharp boundary parametrization using a Bayesian framework. Within the algorithm, we consider the locations and the resistivity of regions formed by the interfaces are as unknowns. We use a parallel, adaptive finite-element algorithm to forward simulate frequency-domain MT responses of 2D conductivity structure. Those unknown parameters are spatially correlated and are described by a geostatistical model. The joint posterior probability distribution function ismore » explored by Markov Chain Monte Carlo (MCMC) sampling methods. The developed stochastic model is effective for estimating the interface locations and resistivity. Most importantly, it provides details uncertainty information on each unknown parameter. Hardware requirements: PC, Supercomputer, Multi-platform, Workstation; Software requirements C and Fortan; Operation Systems/version is Linux/Unix or Windows« less

  9. Explicit 2-D Hydrodynamic FEM Program

    SciTech Connect

    Lin, Jerry

    1996-08-07

    DYNA2D* is a vectorized, explicit, two-dimensional, axisymmetric and plane strain finite element program for analyzing the large deformation dynamic and hydrodynamic response of inelastic solids. DYNA2D* contains 13 material models and 9 equations of state (EOS) to cover a wide range of material behavior. The material models implemented in all machine versions are: elastic, orthotropic elastic, kinematic/isotropic elastic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, rubber, high explosive burn, isotropic elastic-plastic, temperature-dependent elastic-plastic. The isotropic and temperature-dependent elastic-plastic models determine only the deviatoric stresses. Pressure is determined by one of 9 equations of state including linear polynomial, JWL high explosive, Sack Tuesday high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, and tabulated.

  10. 2D photonic-crystal optomechanical nanoresonator.

    PubMed

    Makles, K; Antoni, T; Kuhn, A G; Deléglise, S; Briant, T; Cohadon, P-F; Braive, R; Beaudoin, G; Pinard, L; Michel, C; Dolique, V; Flaminio, R; Cagnoli, G; Robert-Philip, I; Heidmann, A

    2015-01-15

    We present the optical optimization of an optomechanical device based on a suspended InP membrane patterned with a 2D near-wavelength grating (NWG) based on a 2D photonic-crystal geometry. We first identify by numerical simulation a set of geometrical parameters providing a reflectivity higher than 99.8% over a 50-nm span. We then study the limitations induced by the finite value of the optical waist and lateral size of the NWG pattern using different numerical approaches. The NWG grating, pierced in a suspended InP 265-nm thick membrane, is used to form a compact microcavity involving the suspended nanomembrane as an end mirror. The resulting cavity has a waist size smaller than 10 μm and a finesse in the 200 range. It is used to probe the Brownian motion of the mechanical modes of the nanomembrane. PMID:25679837

  11. Compact 2-D graphical representation of DNA

    NASA Astrophysics Data System (ADS)

    Randić, Milan; Vračko, Marjan; Zupan, Jure; Novič, Marjana

    2003-05-01

    We present a novel 2-D graphical representation for DNA sequences which has an important advantage over the existing graphical representations of DNA in being very compact. It is based on: (1) use of binary labels for the four nucleic acid bases, and (2) use of the 'worm' curve as template on which binary codes are placed. The approach is illustrated on DNA sequences of the first exon of human β-globin and gorilla β-globin.

  12. 2D materials: Graphene and others

    NASA Astrophysics Data System (ADS)

    Bansal, Suneev Anil; Singh, Amrinder Pal; Kumar, Suresh

    2016-05-01

    Present report reviews the recent advancements in new atomically thick 2D materials. Materials covered in this review are Graphene, Silicene, Germanene, Boron Nitride (BN) and Transition metal chalcogenides (TMC). These materials show extraordinary mechanical, electronic and optical properties which make them suitable candidates for future applications. Apart from unique properties, tune-ability of highly desirable properties of these materials is also an important area to be emphasized on.

  13. Layer Engineering of 2D Semiconductor Junctions.

    PubMed

    He, Yongmin; Sobhani, Ali; Lei, Sidong; Zhang, Zhuhua; Gong, Yongji; Jin, Zehua; Zhou, Wu; Yang, Yingchao; Zhang, Yuan; Wang, Xifan; Yakobson, Boris; Vajtai, Robert; Halas, Naomi J; Li, Bo; Xie, Erqing; Ajayan, Pulickel

    2016-07-01

    A new concept for junction fabrication by connecting multiple regions with varying layer thicknesses, based on the thickness dependence, is demonstrated. This type of junction is only possible in super-thin-layered 2D materials, and exhibits similar characteristics as p-n junctions. Rectification and photovoltaic effects are observed in chemically homogeneous MoSe2 junctions between domains of different thicknesses. PMID:27136275

  14. Realistic and efficient 2D crack simulation

    NASA Astrophysics Data System (ADS)

    Yadegar, Jacob; Liu, Xiaoqing; Singh, Abhishek

    2010-04-01

    Although numerical algorithms for 2D crack simulation have been studied in Modeling and Simulation (M&S) and computer graphics for decades, realism and computational efficiency are still major challenges. In this paper, we introduce a high-fidelity, scalable, adaptive and efficient/runtime 2D crack/fracture simulation system by applying the mathematically elegant Peano-Cesaro triangular meshing/remeshing technique to model the generation of shards/fragments. The recursive fractal sweep associated with the Peano-Cesaro triangulation provides efficient local multi-resolution refinement to any level-of-detail. The generated binary decomposition tree also provides efficient neighbor retrieval mechanism used for mesh element splitting and merging with minimal memory requirements essential for realistic 2D fragment formation. Upon load impact/contact/penetration, a number of factors including impact angle, impact energy, and material properties are all taken into account to produce the criteria of crack initialization, propagation, and termination leading to realistic fractal-like rubble/fragments formation. The aforementioned parameters are used as variables of probabilistic models of cracks/shards formation, making the proposed solution highly adaptive by allowing machine learning mechanisms learn the optimal values for the variables/parameters based on prior benchmark data generated by off-line physics based simulation solutions that produce accurate fractures/shards though at highly non-real time paste. Crack/fracture simulation has been conducted on various load impacts with different initial locations at various impulse scales. The simulation results demonstrate that the proposed system has the capability to realistically and efficiently simulate 2D crack phenomena (such as window shattering and shards generation) with diverse potentials in military and civil M&S applications such as training and mission planning.

  15. 2D Spinodal Decomposition in Forced Turbulence

    NASA Astrophysics Data System (ADS)

    Fan, Xiang; Diamond, Patrick; Chacon, Luis; Li, Hui

    2015-11-01

    Spinodal decomposition is a second order phase transition for binary fluid mixture, from one thermodynamic phase to form two coexisting phases. The governing equation for this coarsening process below critical temperature, Cahn-Hilliard Equation, is very similar to 2D MHD Equation, especially the conserved quantities have a close correspondence between each other, so theories for MHD turbulence are used to study spinodal decomposition in forced turbulence. Domain size is increased with time along with the inverse cascade, and the length scale can be arrested by a forced turbulence with direct cascade. The two competing mechanisms lead to a stabilized domain size length scale, which can be characterized by Hinze Scale. The 2D spinodal decomposition in forced turbulence is studied by both theory and simulation with ``pixie2d.'' This work focuses on the relation between Hinze scale and spectra and cascades. Similarities and differences between spinodal decomposition and MHD are investigated. Also some transport properties are studied following MHD theories. This work is supported by the Department of Energy under Award Number DE-FG02-04ER54738.

  16. MAGNUM-2D computer code: user's guide

    SciTech Connect

    England, R.L.; Kline, N.W.; Ekblad, K.J.; Baca, R.G.

    1985-01-01

    Information relevant to the general use of the MAGNUM-2D computer code is presented. This computer code was developed for the purpose of modeling (i.e., simulating) the thermal and hydraulic conditions in the vicinity of a waste package emplaced in a deep geologic repository. The MAGNUM-2D computer computes (1) the temperature field surrounding the waste package as a function of the heat generation rate of the nuclear waste and thermal properties of the basalt and (2) the hydraulic head distribution and associated groundwater flow fields as a function of the temperature gradients and hydraulic properties of the basalt. MAGNUM-2D is a two-dimensional numerical model for transient or steady-state analysis of coupled heat transfer and groundwater flow in a fractured porous medium. The governing equations consist of a set of coupled, quasi-linear partial differential equations that are solved using a Galerkin finite-element technique. A Newton-Raphson algorithm is embedded in the Galerkin functional to formulate the problem in terms of the incremental changes in the dependent variables. Both triangular and quadrilateral finite elements are used to represent the continuum portions of the spatial domain. Line elements may be used to represent discrete conduits. 18 refs., 4 figs., 1 tab.

  17. Engineering light outcoupling in 2D materials.

    PubMed

    Lien, Der-Hsien; Kang, Jeong Seuk; Amani, Matin; Chen, Kevin; Tosun, Mahmut; Wang, Hsin-Ping; Roy, Tania; Eggleston, Michael S; Wu, Ming C; Dubey, Madan; Lee, Si-Chen; He, Jr-Hau; Javey, Ali

    2015-02-11

    When light is incident on 2D transition metal dichalcogenides (TMDCs), it engages in multiple reflections within underlying substrates, producing interferences that lead to enhancement or attenuation of the incoming and outgoing strength of light. Here, we report a simple method to engineer the light outcoupling in semiconducting TMDCs by modulating their dielectric surroundings. We show that by modulating the thicknesses of underlying substrates and capping layers, the interference caused by substrate can significantly enhance the light absorption and emission of WSe2, resulting in a ∼11 times increase in Raman signal and a ∼30 times increase in the photoluminescence (PL) intensity of WSe2. On the basis of the interference model, we also propose a strategy to control the photonic and optoelectronic properties of thin-layer WSe2. This work demonstrates the utilization of outcoupling engineering in 2D materials and offers a new route toward the realization of novel optoelectronic devices, such as 2D LEDs and solar cells.

  18. 3D Ordering in 2D Quantum Heisenberg Antiferromagnets

    NASA Astrophysics Data System (ADS)

    Landee, C. P.; Woodward, F. M.; Giantsidis, J.; Turnbull, M. M.

    2000-03-01

    The family of 2D quantum Heisenberg antiferromagnets (5-ZAP)_2CuX4 consists of CuX_4^2- dianions packed together in magnetically square layers, interacting through X\\cdotsX contacts (X = Cl, Br). The strength of both the intralayer interaction J and interlayer interaction J^' are controlled by the substituent Z in the 5-position of 5-Z, 2-aminopyridine. The 3D critical temperature TN is a function of the J^'/J ratio and consequently is also subject to control by the Z-substituent. Previously we have reported on the compounds with Z = Cl (5-CAP), and Z = methyl (5-MAP). We have now prepared the isomorphous 5-bromo analogue (5-BAP)_2CuX4 and will discuss the T_N/J ratios for all three compounds in terms of the structural parameters.

  19. Quantifying Therapeutic and Diagnostic Efficacy in 2D Microvascular Images

    NASA Technical Reports Server (NTRS)

    Parsons-Wingerter, Patricia; Vickerman, Mary B.; Keith, Patricia A.

    2009-01-01

    VESGEN is a newly automated, user-interactive program that maps and quantifies the effects of vascular therapeutics and regulators on microvascular form and function. VESGEN analyzes two-dimensional, black and white vascular images by measuring important vessel morphology parameters. This software guides the user through each required step of the analysis process via a concise graphical user interface (GUI). Primary applications of the VESGEN code are 2D vascular images acquired as clinical diagnostic images of the human retina and as experimental studies of the effects of vascular regulators and therapeutics on vessel remodeling.

  20. 2D Magneto-Optical Trapping of Diatomic Molecules

    NASA Astrophysics Data System (ADS)

    Hummon, Matthew T.; Yeo, Mark; Stuhl, Benjamin K.; Collopy, Alejandra L.; Xia, Yong; Ye, Jun

    2013-04-01

    We demonstrate one- and two-dimensional transverse laser cooling and magneto-optical trapping of the polar molecule yttrium (II) oxide (YO). In a 1D magneto-optical trap (MOT), we characterize the magneto-optical trapping force and decrease the transverse temperature by an order of magnitude, from 25 to 2 mK, limited by interaction time. In a 2D MOT, we enhance the intensity of the YO beam and reduce the transverse temperature in both transverse directions. The approach demonstrated here can be applied to many molecular species and can also be extended to 3D.

  1. Report of the 1988 2-D Intercomparison Workshop, chapter 3

    NASA Technical Reports Server (NTRS)

    Jackman, Charles H.; Brasseur, Guy; Soloman, Susan; Guthrie, Paul D.; Garcia, Rolando; Yung, Yuk L.; Gray, Lesley J.; Tung, K. K.; Ko, Malcolm K. W.; Isaken, Ivar

    1989-01-01

    Several factors contribute to the errors encountered. With the exception of the line-by-line model, all of the models employ simplifying assumptions that place fundamental limits on their accuracy and range of validity. For example, all 2-D modeling groups use the diffusivity factor approximation. This approximation produces little error in tropospheric H2O and CO2 cooling rates, but can produce significant errors in CO2 and O3 cooling rates at the stratopause. All models suffer from fundamental uncertainties in shapes and strengths of spectral lines. Thermal flux algorithms being used in 2-D tracer tranport models produce cooling rates that differ by as much as 40 percent for the same input model atmosphere. Disagreements of this magnitude are important since the thermal cooling rates must be subtracted from the almost-equal solar heating rates to derive the net radiative heating rates and the 2-D model diabatic circulation. For much of the annual cycle, the net radiative heating rates are comparable in magnitude to the cooling rate differences described. Many of the models underestimate the cooling rates in the middle and lower stratosphere. The consequences of these errors for the net heating rates and the diabatic circulation will depend on their meridional structure, which was not tested here. Other models underestimate the cooling near 1 mbar. Suchs errors pose potential problems for future interactive ozone assessment studies, since they could produce artificially-high temperatures and increased O3 destruction at these levels. These concerns suggest that a great deal of work is needed to improve the performance of thermal cooling rate algorithms used in the 2-D tracer transport models.

  2. Interface adhesion between 2D materials and elastomers measured by buckle delamination

    NASA Astrophysics Data System (ADS)

    Brennan, Christopher; Lu, Nanshu

    2015-03-01

    A major application for 2D materials is creating electronic devices, including flexible and wearable devices. These applications require complicated fabrication processes where 2D materials are either mechanically exfoliated or grown via chemical vapor deposition and then transferred to a host substrate. Both processes require intimate knowledge of the interactions between the 2D material and the substrate to allow for a controllable transfer. Although adhesion between 2D materials and stiff substrates such as silicon and copper have been measured by bulge or peeling tests, adhesion between 2D materials and soft polymer substrates are hard to measure by conventional methods. Here we propose a simple way of measuring the adhesion between 2D materials and soft, stretchable elastomers using mature continuum mechanics equations. By creating buckle delamination in 2D atomic layers and measuring the buckle profile using an atomic force microscope, we can readily extract 2D-elastomer adhesion energy. Here we look at the adhesion of MoS2 and graphene to PDMS. The measured adhesion values are found insensitive to the applied strains in the substrate and are one order smaller than 2D-silicon oxide adhesion which is mainly attributed substrate surface roughness differences.

  3. Screening and transport in 2D semiconductor systems at low temperatures

    PubMed Central

    Das Sarma, S.; Hwang, E. H.

    2015-01-01

    Low temperature carrier transport properties in 2D semiconductor systems can be theoretically well-understood within RPA-Boltzmann theory as being limited by scattering from screened Coulomb disorder arising from random quenched charged impurities in the environment. In this work, we derive a number of analytical formula, supported by realistic numerical calculations, for the relevant density, mobility, and temperature range where 2D transport should manifest strong intrinsic (i.e., arising purely from electronic effects) metallic temperature dependence in different semiconductor materials arising entirely from the 2D screening properties, thus providing an explanation for why the strong temperature dependence of the 2D resistivity can only be observed in high-quality and low-disorder 2D samples and also why some high-quality 2D materials manifest much weaker metallicity than other materials. We also discuss effects of interaction and disorder on the 2D screening properties in this context as well as compare 2D and 3D screening functions to comment why such a strong intrinsic temperature dependence arising from screening cannot occur in 3D metallic carrier transport. Experimentally verifiable predictions are made about the quantitative magnitude of the maximum possible low-temperature metallicity in 2D systems and the scaling behavior of the temperature scale controlling the quantum to classical crossover. PMID:26572738

  4. GBL-2D Version 1.0: a 2D geometry boolean library.

    SciTech Connect

    McBride, Cory L. (Elemental Technologies, American Fort, UT); Schmidt, Rodney Cannon; Yarberry, Victor R.; Meyers, Ray J.

    2006-11-01

    This report describes version 1.0 of GBL-2D, a geometric Boolean library for 2D objects. The library is written in C++ and consists of a set of classes and routines. The classes primarily represent geometric data and relationships. Classes are provided for 2D points, lines, arcs, edge uses, loops, surfaces and mask sets. The routines contain algorithms for geometric Boolean operations and utility functions. Routines are provided that incorporate the Boolean operations: Union(OR), XOR, Intersection and Difference. A variety of additional analytical geometry routines and routines for importing and exporting the data in various file formats are also provided. The GBL-2D library was originally developed as a geometric modeling engine for use with a separate software tool, called SummitView [1], that manipulates the 2D mask sets created by designers of Micro-Electro-Mechanical Systems (MEMS). However, many other practical applications for this type of software can be envisioned because the need to perform 2D Boolean operations can arise in many contexts.

  5. Periodically sheared 2D Yukawa systems

    SciTech Connect

    Kovács, Anikó Zsuzsa; Hartmann, Peter; Donkó, Zoltán

    2015-10-15

    We present non-equilibrium molecular dynamics simulation studies on the dynamic (complex) shear viscosity of a 2D Yukawa system. We have identified a non-monotonic frequency dependence of the viscosity at high frequencies and shear rates, an energy absorption maximum (local resonance) at the Einstein frequency of the system at medium shear rates, an enhanced collective wave activity, when the excitation is near the plateau frequency of the longitudinal wave dispersion, and the emergence of significant configurational anisotropy at small frequencies and high shear rates.

  6. ENERGY LANDSCAPE OF 2D FLUID FORMS

    SciTech Connect

    Y. JIANG; ET AL

    2000-04-01

    The equilibrium states of 2D non-coarsening fluid foams, which consist of bubbles with fixed areas, correspond to local minima of the total perimeter. (1) The authors find an approximate value of the global minimum, and determine directly from an image how far a foam is from its ground state. (2) For (small) area disorder, small bubbles tend to sort inwards and large bubbles outwards. (3) Topological charges of the same sign repel while charges of opposite sign attract. (4) They discuss boundary conditions and the uniqueness of the pattern for fixed topology.

  7. Multienzyme Inkjet Printed 2D Arrays.

    PubMed

    Gdor, Efrat; Shemesh, Shay; Magdassi, Shlomo; Mandler, Daniel

    2015-08-19

    The use of printing to produce 2D arrays is well established, and should be relatively facile to adapt for the purpose of printing biomaterials; however, very few studies have been published using enzyme solutions as inks. Among the printing technologies, inkjet printing is highly suitable for printing biomaterials and specifically enzymes, as it offers many advantages. Formulation of the inkjet inks is relatively simple and can be adjusted to a variety of biomaterials, while providing nonharmful environment to the enzymes. Here we demonstrate the applicability of inkjet printing for patterning multiple enzymes in a predefined array in a very straightforward, noncontact method. Specifically, various arrays of the enzymes glucose oxidase (GOx), invertase (INV) and horseradish peroxidase (HP) were printed on aminated glass surfaces, followed by immobilization using glutardialdehyde after printing. Scanning electrochemical microscopy (SECM) was used for imaging the printed patterns and to ascertain the enzyme activity. The successful formation of 2D arrays consisting of enzymes was explored as a means of developing the first surface confined enzyme based logic gates. Principally, XOR and AND gates, each consisting of two enzymes as the Boolean operators, were assembled, and their operation was studied by SECM. PMID:26214072

  8. The Influence of Facial Characteristics on the Relation between Male 2D:4D and Dominance

    PubMed Central

    Ryckmans, Jan; Millet, Kobe; Warlop, Luk

    2015-01-01

    Although relations between 2D:4D and dominance rank in both baboons and rhesus macaques have been observed, evidence in humans is mixed. Whereas behavioral patterns in humans have been discovered that are consistent with these animal findings, the evidence for a relation between dominance and 2D:4D is weak or inconsistent. The present study provides experimental evidence that male 2D:4D is related to dominance after (fictitious) male-male interaction when the other man has a dominant, but not a submissive or neutral face. This finding provides evidence that the relationship between 2D:4D and dominance emerges in particular, predictable situations and that merely dominant facial characteristics of another person are enough to activate supposed relationships between 2D:4D and dominance. PMID:26600255

  9. 2-D or not 2-D, that is the question: A Northern California test

    SciTech Connect

    Mayeda, K; Malagnini, L; Phillips, W S; Walter, W R; Dreger, D

    2005-06-06

    Reliable estimates of the seismic source spectrum are necessary for accurate magnitude, yield, and energy estimation. In particular, how seismic radiated energy scales with increasing earthquake size has been the focus of recent debate within the community and has direct implications on earthquake source physics studies as well as hazard mitigation. The 1-D coda methodology of Mayeda et al. has provided the lowest variance estimate of the source spectrum when compared against traditional approaches that use direct S-waves, thus making it ideal for networks that have sparse station distribution. The 1-D coda methodology has been mostly confined to regions of approximately uniform complexity. For larger, more geophysically complicated regions, 2-D path corrections may be required. The complicated tectonics of the northern California region coupled with high quality broadband seismic data provides for an ideal ''apples-to-apples'' test of 1-D and 2-D path assumptions on direct waves and their coda. Using the same station and event distribution, we compared 1-D and 2-D path corrections and observed the following results: (1) 1-D coda results reduced the amplitude variance relative to direct S-waves by roughly a factor of 8 (800%); (2) Applying a 2-D correction to the coda resulted in up to 40% variance reduction from the 1-D coda results; (3) 2-D direct S-wave results, though better than 1-D direct waves, were significantly worse than the 1-D coda. We found that coda-based moment-rate source spectra derived from the 2-D approach were essentially identical to those from the 1-D approach for frequencies less than {approx}0.7-Hz, however for the high frequencies (0.7{le} f {le} 8.0-Hz), the 2-D approach resulted in inter-station scatter that was generally 10-30% smaller. For complex regions where data are plentiful, a 2-D approach can significantly improve upon the simple 1-D assumption. In regions where only 1-D coda correction is available it is still preferable over 2

  10. Canard configured aircraft with 2-D nozzle

    NASA Technical Reports Server (NTRS)

    Child, R. D.; Henderson, W. P.

    1978-01-01

    A closely-coupled canard fighter with vectorable two-dimensional nozzle was designed for enhanced transonic maneuvering. The HiMAT maneuver goal of a sustained 8g turn at a free-stream Mach number of 0.9 and 30,000 feet was the primary design consideration. The aerodynamic design process was initiated with a linear theory optimization minimizing the zero percent suction drag including jet effects and refined with three-dimensional nonlinear potential flow techniques. Allowances were made for mutual interference and viscous effects. The design process to arrive at the resultant configuration is described, and the design of a powered 2-D nozzle model to be tested in the LRC 16-foot Propulsion Wind Tunnel is shown.

  11. 2D Electrostatic Actuation of Microshutter Arrays

    NASA Technical Reports Server (NTRS)

    Burns, Devin E.; Oh, Lance H.; Li, Mary J.; Kelly, Daniel P.; Kutyrev, Alexander S.; Moseley, Samuel H.

    2015-01-01

    Electrostatically actuated microshutter arrays consisting of rotational microshutters (shutters that rotate about a torsion bar) were designed and fabricated through the use of models and experiments. Design iterations focused on minimizing the torsional stiffness of the microshutters, while maintaining their structural integrity. Mechanical and electromechanical test systems were constructed to measure the static and dynamic behavior of the microshutters. The torsional stiffness was reduced by a factor of four over initial designs without sacrificing durability. Analysis of the resonant behavior of the microshutters demonstrates that the first resonant mode is a torsional mode occurring around 3000 Hz. At low vacuum pressures, this resonant mode can be used to significantly reduce the drive voltage necessary for actuation requiring as little as 25V. 2D electrostatic latching and addressing was demonstrated using both a resonant and pulsed addressing scheme.

  12. 2D Electrostatic Actuation of Microshutter Arrays

    NASA Technical Reports Server (NTRS)

    Burns, Devin E.; Oh, Lance H.; Li, Mary J.; Jones, Justin S.; Kelly, Daniel P.; Zheng, Yun; Kutyrev, Alexander S.; Moseley, Samuel H.

    2015-01-01

    An electrostatically actuated microshutter array consisting of rotational microshutters (shutters that rotate about a torsion bar) were designed and fabricated through the use of models and experiments. Design iterations focused on minimizing the torsional stiffness of the microshutters, while maintaining their structural integrity. Mechanical and electromechanical test systems were constructed to measure the static and dynamic behavior of the microshutters. The torsional stiffness was reduced by a factor of four over initial designs without sacrificing durability. Analysis of the resonant behavior of the microshutter arrays demonstrates that the first resonant mode is a torsional mode occurring around 3000 Hz. At low vacuum pressures, this resonant mode can be used to significantly reduce the drive voltage necessary for actuation requiring as little as 25V. 2D electrostatic latching and addressing was demonstrated using both a resonant and pulsed addressing scheme.

  13. Graphene suspensions for 2D printing

    NASA Astrophysics Data System (ADS)

    Soots, R. A.; Yakimchuk, E. A.; Nebogatikova, N. A.; Kotin, I. A.; Antonova, I. V.

    2016-04-01

    It is shown that, by processing a graphite suspension in ethanol or water by ultrasound and centrifuging, it is possible to obtain particles with thicknesses within 1-6 nm and, in the most interesting cases, 1-1.5 nm. Analogous treatment of a graphite suspension in organic solvent yields eventually thicker particles (up to 6-10 nm thick) even upon long-term treatment. Using the proposed ink based on graphene and aqueous ethanol with ethylcellulose and terpineol additives for 2D printing, thin (~5 nm thick) films with sheet resistance upon annealing ~30 MΩ/□ were obtained. With the ink based on aqueous graphene suspension, the sheet resistance was ~5-12 kΩ/□ for 6- to 15-nm-thick layers with a carrier mobility of ~30-50 cm2/(V s).

  14. Metrology for graphene and 2D materials

    NASA Astrophysics Data System (ADS)

    Pollard, Andrew J.

    2016-09-01

    The application of graphene, a one atom-thick honeycomb lattice of carbon atoms with superlative properties, such as electrical conductivity, thermal conductivity and strength, has already shown that it can be used to benefit metrology itself as a new quantum standard for resistance. However, there are many application areas where graphene and other 2D materials, such as molybdenum disulphide (MoS2) and hexagonal boron nitride (h-BN), may be disruptive, areas such as flexible electronics, nanocomposites, sensing and energy storage. Applying metrology to the area of graphene is now critical to enable the new, emerging global graphene commercial world and bridge the gap between academia and industry. Measurement capabilities and expertise in a wide range of scientific areas are required to address this challenge. The combined and complementary approach of varied characterisation methods for structural, chemical, electrical and other properties, will allow the real-world issues of commercialising graphene and other 2D materials to be addressed. Here, examples of metrology challenges that have been overcome through a multi-technique or new approach are discussed. Firstly, the structural characterisation of defects in both graphene and MoS2 via Raman spectroscopy is described, and how nanoscale mapping of vacancy defects in graphene is also possible using tip-enhanced Raman spectroscopy (TERS). Furthermore, the chemical characterisation and removal of polymer residue on chemical vapour deposition (CVD) grown graphene via secondary ion mass spectrometry (SIMS) is detailed, as well as the chemical characterisation of iron films used to grow large domain single-layer h-BN through CVD growth, revealing how contamination of the substrate itself plays a role in the resulting h-BN layer. In addition, the role of international standardisation in this area is described, outlining the current work ongoing in both the International Organization of Standardization (ISO) and the

  15. The IDOL–UBE2D complex mediates sterol-dependent degradation of the LDL receptor

    PubMed Central

    Zhang, Li; Fairall, Louise; Goult, Benjamin T.; Calkin, Anna C.; Hong, Cynthia; Millard, Christopher J.; Tontonoz, Peter; Schwabe, John W.R.

    2011-01-01

    We previously identified the E3 ubiquitin ligase IDOL as a sterol-dependent regulator of the LDL receptor (LDLR). The molecular pathway underlying IDOL action, however, remains to be determined. Here we report the identification and biochemical and structural characterization of an E2–E3 ubiquitin ligase complex for LDLR degradation. We identified the UBE2D family (UBE2D1–4) as E2 partners for IDOL that support both autoubiquitination and IDOL-dependent ubiquitination of the LDLR in a cell-free system. NMR chemical shift mapping and a 2.1 Å crystal structure of the IDOL RING domain–UBE2D1 complex revealed key interactions between the dimeric IDOL protein and the E2 enzyme. Analysis of the IDOL–UBE2D1 interface also defined the stereochemical basis for the selectivity of IDOL for UBE2Ds over other E2 ligases. Structure-based mutations that inhibit IDOL dimerization or IDOL–UBE2D interaction block IDOL-dependent LDLR ubiquitination and degradation. Furthermore, expression of a dominant-negative UBE2D enzyme inhibits the ability of IDOL to degrade the LDLR in cells. These results identify the IDOL–UBE2D complex as an important determinant of LDLR activity, and provide insight into molecular mechanisms underlying the regulation of cholesterol uptake. PMID:21685362

  16. Numerical Simulation of Supersonic Compression Corners and Hypersonic Inlet Flows Using the RPLUS2D Code

    NASA Technical Reports Server (NTRS)

    Kapoor, Kamlesh; Anderson, Bernhard H.; Shaw, Robert J.

    1994-01-01

    A two-dimensional computational code, PRLUS2D, which was developed for the reactive propulsive flows of ramjets and scramjets, was validated for two-dimensional shock-wave/turbulent-boundary-layer interactions. The problem of compression corners at supersonic speeds was solved using the RPLUS2D code. To validate the RPLUS2D code for hypersonic speeds, it was applied to a realistic hypersonic inlet geometry. Both the Baldwin-Lomax and the Chien two-equation turbulence models were used. Computational results showed that the RPLUS2D code compared very well with experimentally obtained data for supersonic compression corner flows, except in the case of large separated flows resulting from the interactions between the shock wave and turbulent boundary layer. The computational results compared well with the experiment results in a hypersonic NASA P8 inlet case, with the Chien two-equation turbulence model performing better than the Baldwin-Lomax model.

  17. Single Scan 2D NMR Spectroscopy on a 25 T Bitter Magnet.

    PubMed

    Shapira, Boaz; Shetty, Kiran; Brey, William W; Gan, Zhehong; Frydman, Lucio

    2007-07-16

    2D NMR relies on monitoring systematic changes in the phases incurred by spin coherences as a function of an encoding time t(1), whose value changes over the course of independent experiments. The intrinsic multiscan nature of such protocols implies that resistive and/or hybrid magnets, capable of delivering the highest magnetic field strengths but possessing poor temporal stabilities, become unsuitable for 2D NMR acquisitions. It is here shown with a series of homo- and hetero-nuclear examples that such limitations can be bypassed using recently proposed 2D "ultrafast" acquisition schemes, which correlate interactions along all spectral dimensions within a single scan.

  18. Single Scan 2D NMR Spectroscopy on a 25 T Bitter Magnet

    PubMed Central

    Shapira, Boaz; Shetty, Kiran; Brey, William W.; Gan, Zhehong; Frydman, Lucio

    2007-01-01

    2D NMR relies on monitoring systematic changes in the phases incurred by spin coherences as a function of an encoding time t1, whose value changes over the course of independent experiments. The intrinsic multiscan nature of such protocols implies that resistive and/or hybrid magnets, capable of delivering the highest magnetic field strengths but possessing poor temporal stabilities, become unsuitable for 2D NMR acquisitions. It is here shown with a series of homo- and hetero-nuclear examples that such limitations can be bypassed using recently proposed 2D “ultrafast” acquisition schemes, which correlate interactions along all spectral dimensions within a single scan. PMID:18037970

  19. CYP2D6*36 gene arrangements within the cyp2d6 locus: association of CYP2D6*36 with poor metabolizer status.

    PubMed

    Gaedigk, Andrea; Bradford, L Dianne; Alander, Sarah W; Leeder, J Steven

    2006-04-01

    Unexplained cases of CYP2D6 genotype/phenotype discordance continue to be discovered. In previous studies, several African Americans with a poor metabolizer phenotype carried the reduced function CYP2D6*10 allele in combination with a nonfunctional allele. We pursued the possibility that these alleles harbor either a known sequence variation (i.e., CYP2D6*36 carrying a gene conversion in exon 9 along the CYP2D6*10-defining 100C>T single-nucleotide polymorphism) or novel sequences variation(s). Discordant cases were evaluated by long-range polymerase chain reaction (PCR) to test for gene rearrangement events, and a 6.6-kilobase pair PCR product encompassing the CYP2D6 gene was cloned and entirely sequenced. Thereafter, allele frequencies were determined in different study populations comprising whites, African Americans, and Asians. Analyses covering the CYP2D7 to 2D6 gene region established that CYP2D6*36 did not only exist as a gene duplication (CYP2D6*36x2) or in tandem with *10 (CYP2D6*36+*10), as previously reported, but also by itself. This "single" CYP2D6*36 allele was found in nine African Americans and one Asian, but was absent in the whites tested. Ultimately, the presence of CYP2D6*36 resolved genotype/phenotype discordance in three cases. We also discovered an exon 9 conversion-positive CYP2D6*4 gene in a duplication arrangement (CYP2D6*4Nx2) and a CYP2D6*4 allele lacking 100C>T (CYP2D6*4M) in two white subjects. The discovery of an allele that carries only one CYP2D6*36 gene copy provides unequivocal evidence that both CYP2D6*36 and *36x2 are associated with a poor metabolizer phenotype. Given a combined frequency of between 0.5 and 3% in African Americans and Asians, genotyping for CYP2D6*36 should improve the accuracy of genotype-based phenotype prediction in these populations.

  20. A new inversion method for (T2, D) 2D NMR logging and fluid typing

    NASA Astrophysics Data System (ADS)

    Tan, Maojin; Zou, Youlong; Zhou, Cancan

    2013-02-01

    One-dimensional nuclear magnetic resonance (1D NMR) logging technology has some significant limitations in fluid typing. However, not only can two-dimensional nuclear magnetic resonance (2D NMR) provide some accurate porosity parameters, but it can also identify fluids more accurately than 1D NMR. In this paper, based on the relaxation mechanism of (T2, D) 2D NMR in a gradient magnetic field, a hybrid inversion method that combines least-squares-based QR decomposition (LSQR) and truncated singular value decomposition (TSVD) is examined in the 2D NMR inversion of various fluid models. The forward modeling and inversion tests are performed in detail with different acquisition parameters, such as magnetic field gradients (G) and echo spacing (TE) groups. The simulated results are discussed and described in detail, the influence of the above-mentioned observation parameters on the inversion accuracy is investigated and analyzed, and the observation parameters in multi-TE activation are optimized. Furthermore, the hybrid inversion can be applied to quantitatively determine the fluid saturation. To study the effects of noise level on the hybrid method and inversion results, the numerical simulation experiments are performed using different signal-to-noise-ratios (SNRs), and the effect of different SNRs on fluid typing using three fluid models are discussed and analyzed in detail.

  1. Synthesis and characterization of copper(II)-bis(pyridin-2-carbonyl)amine (pyca)-pseudohalide complexes: 2D superstructure formation through C sbnd H⋯O hydrogen bond and π⋯π interaction in [Cu(pyca)Cl(NCO)

    NASA Astrophysics Data System (ADS)

    Chowdhury, Habibar; Rahaman, Sk Hafijur; Ghosh, Rajarshi; Sarkar, Sajal Kumar; Fun, Hoong-Kun; Ghosh, Barindra Kumar

    2007-01-01

    Three copper(II) complexes of type [Cu(pyca)(Cl)(Y)] ( 1- 3) [pyca = bis(pyridin-2-carbonyl)amine; Y = NCO -, N 3-, NCS -] have been synthesized and characterized on the basis of microanalytical, spectroscopic, magnetic, electrochemical, and other physicochemical properties. X-ray diffraction study in [Cu(pyca)(Cl)(NCO)] ( 1) reveals copper(II) center in a distorted trigonal bipyramidal environment through coordination by two pyridine N atoms, and one amine N atom of the tridentate ligand, one Cl -, and N atom of terminal NCO -. The mononuclear units in 1 are engaged in intermolecular C sbnd H⋯O hydrogen bonding leading to 1D chain, which are interlocked through face-to-face π⋯π interactions resulting in a 2D sheet. The complexes 1- 3 exhibit solvatochromism as evidenced from UV-Vis study in different solvent media. They display high-energy intraligand 1(π-π ∗) fluorescence at room temperature and intraligand 3(π-π ∗) phosphorescence in glassy solutions (MeOH at 77 K) and solid states. Electrochemical electron transfer study in MeOH solutions shows a reductive response presumably due to copper(II)-copper(I) couple.

  2. 2D to 3D transition of polymeric carbon nitride nanosheets

    SciTech Connect

    Chamorro-Posada, Pedro; Vázquez-Cabo, José; Martín-Ramos, Pablo; Martín-Gil, Jesús; Navas-Gracia, Luis M.; Dante, Roberto C.

    2014-11-15

    The transition from a prevalent turbostratic arrangement with low planar interactions (2D) to an array of polymeric carbon nitride nanosheets with stronger interplanar interactions (3D), occurring for samples treated above 650 °C, was detected by terahertz-time domain spectroscopy (THz-TDS). The simulated 3D material made of stacks of shifted quasi planar sheets composed of zigzagged polymer ribbons, delivered a XRD simulated pattern in relatively good agreement with the experimental one. The 2D to 3D transition was also supported by the simulation of THz-TDS spectra obtained from quantum chemistry calculations, in which the same broad bands around 2 THz and 1.5 THz were found for 2D and 3D arrays, respectively. This transition was also in accordance with the tightening of the interplanar distance probably due to an interplanar π bond contribution, as evidenced also by a broad absorption around 2.6 eV in the UV–vis spectrum, which appeared in the sample treated at 650 °C, and increased in the sample treated at 700 °C. The band gap was calculated for 1D and 2D cases. The value of 3.374 eV for the 2D case is, within the model accuracy and precision, in a relative good agreement with the value of 3.055 eV obtained from the experimental results. - Graphical abstract: 2D lattice mode vibrations and structural changes correlated with the so called “2D to 3D transition”. - Highlights: • A 2D to 3D transition has been detected for polymeric carbon nitride. • THz-TDS allowed us to discover and detect the 2D to 3D transition of polymeric carbon nitride. • We propose a structure for polymeric carbon nitride confirming it with THz-TDS.

  3. Modelling RF sources using 2-D PIC codes

    SciTech Connect

    Eppley, K.R.

    1993-03-01

    In recent years, many types of RF sources have been successfully modelled using 2-D PIC codes. Both cross field devices (magnetrons, cross field amplifiers, etc.) and pencil beam devices (klystrons, gyrotrons, TWT`S, lasertrons, etc.) have been simulated. All these devices involve the interaction of an electron beam with an RF circuit. For many applications, the RF structure may be approximated by an equivalent circuit, which appears in the simulation as a boundary condition on the electric field (``port approximation``). The drive term for the circuit is calculated from the energy transfer between beam and field in the drift space. For some applications it may be necessary to model the actual geometry of the structure, although this is more expensive. One problem not entirely solved is how to accurately model in 2-D the coupling to an external waveguide. Frequently this is approximated by a radial transmission line, but this sometimes yields incorrect results. We also discuss issues in modelling the cathode and injecting the beam into the PIC simulation.

  4. Modelling RF sources using 2-D PIC codes

    SciTech Connect

    Eppley, K.R.

    1993-03-01

    In recent years, many types of RF sources have been successfully modelled using 2-D PIC codes. Both cross field devices (magnetrons, cross field amplifiers, etc.) and pencil beam devices (klystrons, gyrotrons, TWT'S, lasertrons, etc.) have been simulated. All these devices involve the interaction of an electron beam with an RF circuit. For many applications, the RF structure may be approximated by an equivalent circuit, which appears in the simulation as a boundary condition on the electric field ( port approximation''). The drive term for the circuit is calculated from the energy transfer between beam and field in the drift space. For some applications it may be necessary to model the actual geometry of the structure, although this is more expensive. One problem not entirely solved is how to accurately model in 2-D the coupling to an external waveguide. Frequently this is approximated by a radial transmission line, but this sometimes yields incorrect results. We also discuss issues in modelling the cathode and injecting the beam into the PIC simulation.

  5. MAZE. Generates 2D Input for DYNA NIKE & TOPAZ

    SciTech Connect

    Hallquist, J.O.

    1992-02-10

    MAZE is an interactive input generator for two-dimensional finite element codes. MAZE has three phases. In the first phase, lines and parts are defined. The first phase is terminated by the `ASSM` or `PASSM` command which merges all parts. In the second phase, boundary conditions may be specified, slidelines may be defined, parts may be merged to eliminate nodes along common interfaces, boundary nodes may be moved for graded zoning, the mesh may be smoothed, and load curves may be defined. The second phase is terminated by the `WBCD` command which causes MAZE to write the output file as soon as the `T` terminate command is typed. In the third phase, material properties may be defined. Commands that apply to the first phase may not be used in the second or third; likewise, commands that apply in the second may not be used in the first and third, or commands that apply in the third in the first and second. Nine commands - TV, Z, GSET, PLOTS, GRID, NOGRID, FRAME, NOFRAME, and RJET are available in all phases. Comments may be added anywhere in the input stream by prefacing the comment with `C`. Any DYNA2D or NIKE2D material and equation-of-state model may be defined via the MAT and EOS commands, respectively. MAZE may be terminated after phase two; it is not necessary to define the materials.

  6. Using dispersive medium to control excitons in 2D materials

    NASA Astrophysics Data System (ADS)

    Klots, Andrey; Bolotin, Kirill I.

    Excitons in 2D materials (2DMs) are known to be sensitive to the surrounding environment. This makes it possible to modify 2D excitons by depositing materials with controlled dielectric constant on top of 2DMs. This possibility becomes especially interesting if we consider materials with dielectric permittivity ɛ that depends both on wavevector k (this happens if the medium is spatially non-uniform) and frequency ω. Here, we develop platforms to control ɛ (k , ω) and explore resulting changes in light-matter interactions of 2DMs. To examine the effect of wavevector-dependent permittivity of the medium, we study absorption/photoluminescence of graphene and MoS2 in the vicinity of highly non-uniform medium - an array of metal nanoparticles, 3-5 nm in diameter. In this case absorption of light can lead to creation of excitons with non-zero momentum. These dark states are not accessible via regular absorption spectroscopy. We study the case of frequency-dependent permittivity by surrounding MoS2 by a highly-dispersive media (e.g. dielectric liquids, graphene and VO2) . We demonstrate non-trivial frequency-dependent renormalization of the quasiparticle bandgap and exciton binding energies.

  7. MAZE. Generates 2D Input for DYNA, NIKE & TOPAZ

    SciTech Connect

    Hallquist, J.O.

    1992-02-12

    MAZE is an interactive input generator for two-dimensional finite element codes. MAZE has three phases. In the first phase, lines and parts are defined. The first phase is terminated by the `ASSM` or `PASSM` command which merges all parts. In the second phase, boundary conditions may be specified, slidelines may be defined, parts may be merged to eliminate nodes along common interfaces, boundary nodes may be moved for graded zoning, the mesh may be smoothed, and load curves may be defined. The second phase is terminated by the `WBCD` command which causes MAZE to write the output file as soon as the `T` terminate command is typed. In the third phase, material properties may be defined. Commands that apply to the first phase may not be used in the second or third; likewise, commands that apply in the second may not be used in the first and third, or commands that apply in the third in the first and second. Nine commands - TV, Z, GSET, PLOTS, GRID, NOGRID, FRAME, NOFRAME, and RJET are available in all phases. Comments may be added anywhere in the input stream by prefacing the comment with `C`. Any DYNA2D or NIKE2D material and equation-of-state model may be defined via the MAT and EOS commands, respectively. MAZE may be terminated after phase two; it is not necessary to define the materials.

  8. MAZE. Generates 2D Input for DYNA NIKE & TOPAZ

    SciTech Connect

    Hallquist, J.O.

    1992-02-24

    MAZE is an interactive input generator for two-dimensional finite element codes. MAZE has three phases. In the first phase, lines and parts are defined. The first phase is terminated by the `ASSM` or `PASSM` command which merges all parts. In the second phase, boundary conditions may be specified, slidelines may be defined, parts may be merged to eliminate nodes along common interfaces, boundary nodes may be moved for graded zoning, the mesh may be smoothed, and load curves may be defined. The second phase is terminated by the `WBCD` command which causes MAZE to write the output file as soon as the `T` terminate command is typed. In the third phase, material properties may be defined. Commands that apply to the first phase may not be used in the second or third; likewise, commands that apply in the second may not be used in the first and third, or commands that apply in the third in the first and second. Nine commands - TV, Z, GSET, PLOTS, GRID, NOGRID, FRAME, NOFRAME, and RJET are available in all phases. Comments may be added anywhere in the input stream by prefacing the comment with `C`. Any DYNA2D or NIKE2D material and equation-of-state model may be defined via the MAT and EOS commands, respectively. MAZE may be terminated after phase two; it is not necessary to define the materials.

  9. MAZE. Generates 2D Input for DYNA, NIKE, & TOPAZ

    SciTech Connect

    Hallquist, J.O.

    1992-02-10

    MAZE is an interactive input generator for two-dimensional finite element codes. MAZE has three phases. In the first phase, lines and parts are defined. The first phase is terminated by the `ASSM` or `PASSM` command which merges all parts. In the second phase, boundary conditions may be specified, slidelines may be defined, parts may be merged to eliminate nodes along common interfaces, boundary nodes may be moved for graded zoning, the mesh may be smoothed, and load curves may be defined. The second phase is terminated by the `WBCD` command which causes MAZE to write the output file as soon as the `T` terminate command is typed. In the third phase, material properties may be defined. Commands that apply to the first phase may not be used in the second or third; likewise, commands that apply in the second may not be used in the first and third, or commands that apply in the third in the first and second. Nine commands - TV, Z, GSET, PLOTS, GRID, NOGRID, FRAME, NOFRAME, and RJET are available in all phases. Comments may be added anywhere in the input stream by prefacing the comment with `C`. Any DYNA2D or NIKE2D material and equation-of-state model may be defined via the MAT and EOS commands, respectively. MAZE may be terminated after phase two; it is not necessary to define the materials.

  10. Phase Engineering of 2D Tin Sulfides.

    PubMed

    Mutlu, Zafer; Wu, Ryan J; Wickramaratne, Darshana; Shahrezaei, Sina; Liu, Chueh; Temiz, Selcuk; Patalano, Andrew; Ozkan, Mihrimah; Lake, Roger K; Mkhoyan, K A; Ozkan, Cengiz S

    2016-06-01

    Tin sulfides can exist in a variety of phases and polytypes due to the different oxidation states of Sn. A subset of these phases and polytypes take the form of layered 2D structures that give rise to a wide host of electronic and optical properties. Hence, achieving control over the phase, polytype, and thickness of tin sulfides is necessary to utilize this wide range of properties exhibited by the compound. This study reports on phase-selective growth of both hexagonal tin (IV) sulfide SnS2 and orthorhombic tin (II) sulfide SnS crystals with diameters of over tens of microns on SiO2 substrates through atmospheric pressure vapor-phase method in a conventional horizontal quartz tube furnace with SnO2 and S powders as the source materials. Detailed characterization of each phase of tin sulfide crystals is performed using various microscopy and spectroscopy methods, and the results are corroborated by ab initio density functional theory calculations. PMID:27099950

  11. Phase Engineering of 2D Tin Sulfides.

    PubMed

    Mutlu, Zafer; Wu, Ryan J; Wickramaratne, Darshana; Shahrezaei, Sina; Liu, Chueh; Temiz, Selcuk; Patalano, Andrew; Ozkan, Mihrimah; Lake, Roger K; Mkhoyan, K A; Ozkan, Cengiz S

    2016-06-01

    Tin sulfides can exist in a variety of phases and polytypes due to the different oxidation states of Sn. A subset of these phases and polytypes take the form of layered 2D structures that give rise to a wide host of electronic and optical properties. Hence, achieving control over the phase, polytype, and thickness of tin sulfides is necessary to utilize this wide range of properties exhibited by the compound. This study reports on phase-selective growth of both hexagonal tin (IV) sulfide SnS2 and orthorhombic tin (II) sulfide SnS crystals with diameters of over tens of microns on SiO2 substrates through atmospheric pressure vapor-phase method in a conventional horizontal quartz tube furnace with SnO2 and S powders as the source materials. Detailed characterization of each phase of tin sulfide crystals is performed using various microscopy and spectroscopy methods, and the results are corroborated by ab initio density functional theory calculations.

  12. Overexpression of IL-10 in C2D macrophages promotes a macrophage phenotypic switch in adipose tissue environments.

    PubMed

    Xie, Linglin; Fu, Qiang; Ortega, Teresa M; Zhou, Lun; Rasmussen, Dane; O'Keefe, Jacy; Zhang, Ke K; Chapes, Stephen K

    2014-01-01

    Adipose tissue macrophages are a heterogeneous collection of classically activated (M1) and alternatively activated (M2) macrophages. Interleukin 10 (IL-10) is an anti-inflammatory cytokine, secreted by a variety of cell types including M2 macrophages. We generated a macrophage cell line stably overexpressing IL-10 (C2D-IL10) and analyzed the C2D-IL10 cells for several macrophage markers after exposure to adipocytes compared to C2D cells transfected with an empty vector (C2D-vector). C2D-IL10 macrophage cells expressed more CD206 when co-cultured with adipocytes than C2D-vector cells; while the co-cultured cell mixture also expressed higher levels of Il4, Il10, Il1β and Tnf. Since regular C2D cells traffic to adipose tissue after adoptive transfer, we explored the impact of constitutive IL-10 expression on C2D-IL10 macrophages in adipose tissue in vivo. Adipose tissue-isolated C2D-IL10 cells increased the percentage of CD206(+), CD301(+), CD11c(-)CD206(+) (M2) and CD11c(+)CD206(+) (M1b) on their cell surface, compared to isolated C2D-vector cells. These data suggest that the expression of IL-10 remains stable, alters the C2D-IL10 macrophage cell surface phenotype and may play a role in regulating macrophage interactions with the adipose tissue.

  13. 2-D Animation's Not Just for Mickey Mouse.

    ERIC Educational Resources Information Center

    Weinman, Lynda

    1995-01-01

    Discusses characteristics of two-dimensional (2-D) animation; highlights include character animation, painting issues, and motion graphics. Sidebars present Silicon Graphics animations tools and 2-D animation programs for the desktop computer. (DGM)

  14. Enhancement of biomixing by swimming cells in 2D films

    NASA Astrophysics Data System (ADS)

    Gollub, Jerry; Kurtuldu, Huseyin; Guasto, Jeffrey; Johnson, Karl

    2011-11-01

    Fluid mixing in active suspensions of microorganisms is important to ecological phenomena and shows surprising statistical behavior. We investigate the mixing produced by swimming unicellular algal cells (Chlamydomonas) in quasi-2D films by tracking the motions of cells and of microscopic passive tracer particles advected by the fluid. The reduced spatial dimension of the system leads to long-range flows and a surprisingly strong dependence of tracer transport on the swimmer concentration. The mean square displacements are well described by a stochastic Langevin model, with an effective diffusion coefficient D growing as the 3/2 power of the swimmer concentration, due to the interaction of tracer particles with multiple swimmers. We also discuss the anomalous probability distributions of tracer displacements, which become Gaussian at high concentration, but show strong power-law tails at low concentration. Supported by NSF Grant DMR-0803153.

  15. The seismic analyzer: interpreting and illustrating 2D seismic data.

    PubMed

    Patel, Daniel; Giertsen, Christopher; Thurmond, John; Gjelberg, John; Gröller, M Eduard

    2008-01-01

    We present a toolbox for quickly interpreting and illustrating 2D slices of seismic volumetric reflection data. Searching for oil and gas involves creating a structural overview of seismic reflection data to identify hydrocarbon reservoirs. We improve the search of seismic structures by precalculating the horizon structures of the seismic data prior to interpretation. We improve the annotation of seismic structures by applying novel illustrative rendering algorithms tailored to seismic data, such as deformed texturing and line and texture transfer functions. The illustrative rendering results in multi-attribute and scale invariant visualizations where features are represented clearly in both highly zoomed in and zoomed out views. Thumbnail views in combination with interactive appearance control allows for a quick overview of the data before detailed interpretation takes place. These techniques help reduce the work of seismic illustrators and interpreters.

  16. Device and methods for "gold standard" registration of clinical 3D and 2D cerebral angiograms

    NASA Astrophysics Data System (ADS)

    Madan, Hennadii; Likar, Boštjan; Pernuš, Franjo; Å piclin, Žiga

    2015-03-01

    Translation of any novel and existing 3D-2D image registration methods into clinical image-guidance systems is limited due to lack of their objective validation on clinical image datasets. The main reason is that, besides the calibration of the 2D imaging system, a reference or "gold standard" registration is very difficult to obtain on clinical image datasets. In the context of cerebral endovascular image-guided interventions (EIGIs), we present a calibration device in the form of a headband with integrated fiducial markers and, secondly, propose an automated pipeline comprising 3D and 2D image processing, analysis and annotation steps, the result of which is a retrospective calibration of the 2D imaging system and an optimal, i.e., "gold standard" registration of 3D and 2D images. The device and methods were used to create the "gold standard" on 15 datasets of 3D and 2D cerebral angiograms, whereas each dataset was acquired on a patient undergoing EIGI for either aneurysm coiling or embolization of arteriovenous malformation. The use of the device integrated seamlessly in the clinical workflow of EIGI. While the automated pipeline eliminated all manual input or interactive image processing, analysis or annotation. In this way, the time to obtain the "gold standard" was reduced from 30 to less than one minute and the "gold standard" of 3D-2D registration on all 15 datasets of cerebral angiograms was obtained with a sub-0.1 mm accuracy.

  17. MDMA, methamphetamine, and CYP2D6 pharmacogenetics: what is clinically relevant?

    PubMed

    de la Torre, Rafael; Yubero-Lahoz, Samanta; Pardo-Lozano, Ricardo; Farré, Magí

    2012-01-01

    In vitro human studies show that the metabolism of most amphetamine-like psychostimulants is regulated by the polymorphic cytochrome P450 isozyme CYP2D6. Two compounds, methamphetamine and 3,4-methylenedioxymethamphetamine (MDMA), were selected as archetypes to discuss the translation and clinical significance of in vitro to in vivo findings. Both compounds were chosen based on their differential interaction with CYP2D6 and their high abuse prevalence in society. Methamphetamine behaves as both a weak substrate and competitive inhibitor of CYP2D6, while MDMA acts as a high affinity substrate and potent mechanism-based inhibitor (MBI) of the enzyme. The MBI behavior of MDMA on CYP2D6 implies that subjects, irrespective of their genotype/phenotype, are phenocopied to the poor metabolizer (PM) phenotype. The fraction of metabolic clearance regulated by CYP2D6 for both drugs is substantially lower than expected from in vitro studies. Other isoenzymes of cytochrome P450 and a relevant contribution of renal excretion play a part in their clearance. These facts tune down the potential contribution of CYP2D6 polymorphism in the clinical outcomes of both substances. Globally, the clinical relevance of CYP2D6 polymorphism is lower than that predicted by in vitro studies. PMID:23162568

  18. 2d PDE Linear Symmetric Matrix Solver

    1983-10-01

    ICCG2 (Incomplete Cholesky factorized Conjugate Gradient algorithm for 2d symmetric problems) was developed to solve a linear symmetric matrix system arising from a 9-point discretization of two-dimensional elliptic and parabolic partial differential equations found in plasma physics applications, such as resistive MHD, spatial diffusive transport, and phase space transport (Fokker-Planck equation) problems. These problems share the common feature of being stiff and requiring implicit solution techniques. When these parabolic or elliptic PDE''s are discretized withmore » finite-difference or finite-element methods,the resulting matrix system is frequently of block-tridiagonal form. To use ICCG2, the discretization of the two-dimensional partial differential equation and its boundary conditions must result in a block-tridiagonal supermatrix composed of elementary tridiagonal matrices. The incomplete Cholesky conjugate gradient algorithm is used to solve the linear symmetric matrix equation. Loops are arranged to vectorize on the Cray1 with the CFT compiler, wherever possible. Recursive loops, which cannot be vectorized, are written for optimum scalar speed. For matrices lacking symmetry, ILUCG2 should be used. Similar methods in three dimensions are available in ICCG3 and ILUCG3. A general source containing extensions and macros, which must be processed by a pre-compiler to obtain the standard FORTRAN source, is provided along with the standard FORTRAN source because it is believed to be more readable. The pre-compiler is not included, but pre-compilation may be performed by a text editor as described in the UCRL-88746 Preprint.« less

  19. 2d PDE Linear Asymmetric Matrix Solver

    1983-10-01

    ILUCG2 (Incomplete LU factorized Conjugate Gradient algorithm for 2d problems) was developed to solve a linear asymmetric matrix system arising from a 9-point discretization of two-dimensional elliptic and parabolic partial differential equations found in plasma physics applications, such as plasma diffusion, equilibria, and phase space transport (Fokker-Planck equation) problems. These equations share the common feature of being stiff and requiring implicit solution techniques. When these parabolic or elliptic PDE''s are discretized with finite-difference or finite-elementmore » methods, the resulting matrix system is frequently of block-tridiagonal form. To use ILUCG2, the discretization of the two-dimensional partial differential equation and its boundary conditions must result in a block-tridiagonal supermatrix composed of elementary tridiagonal matrices. A generalization of the incomplete Cholesky conjugate gradient algorithm is used to solve the matrix equation. Loops are arranged to vectorize on the Cray1 with the CFT compiler, wherever possible. Recursive loops, which cannot be vectorized, are written for optimum scalar speed. For problems having a symmetric matrix ICCG2 should be used since it runs up to four times faster and uses approximately 30% less storage. Similar methods in three dimensions are available in ICCG3 and ILUCG3. A general source, containing extensions and macros, which must be processed by a pre-compiler to obtain the standard FORTRAN source, is provided along with the standard FORTRAN source because it is believed to be more readable. The pre-compiler is not included, but pre-compilation may be performed by a text editor as described in the UCRL-88746 Preprint.« less

  20. Position control using 2D-to-2D feature correspondences in vision guided cell micromanipulation.

    PubMed

    Zhang, Yanliang; Han, Mingli; Shee, Cheng Yap; Ang, Wei Tech

    2007-01-01

    Conventional camera calibration that utilizes the extrinsic and intrinsic parameters of the camera and the objects has certain limitations for micro-level cell operations due to the presence of hardware deviations and external disturbances during the experimental process, thereby invalidating the extrinsic parameters. This invalidation is often neglected in macro-world visual servoing and affects the visual image processing quality, causing deviation from the desired position in micro-level cell operations. To increase the success rate of vision guided biological micromanipulations, a novel algorithm monitoring the changing image pattern of the manipulators including the injection micropipette and cell holder is designed and implemented based on 2 dimensional (2D)-to 2D feature correspondences and can adjust the manipulator and perform position control simultaneously. When any deviation is found, the manipulator is retracted to the initial focusing plane before continuing the operation.

  1. A Planar Quantum Transistor Based on 2D-2D Tunneling in Double Quantum Well Heterostructures

    SciTech Connect

    Baca, W.E.; Blount, M.A.; Hafich, M.J.; Lyo, S.K.; Moon, J.S.; Reno, J.L.; Simmons, J.A.; Wendt, J.R.

    1998-12-14

    We report on our work on the double electron layer tunneling transistor (DELTT), based on the gate-control of two-dimensional -- two-dimensional (2D-2D) tunneling in a double quantum well heterostructure. While previous quantum transistors have typically required tiny laterally-defined features, by contrast the DELTT is entirely planar and can be reliably fabricated in large numbers. We use a novel epoxy-bond-and-stop-etch (EBASE) flip-chip process, whereby submicron gating on opposite sides of semiconductor epitaxial layers as thin as 0.24 microns can be achieved. Because both electron layers in the DELTT are 2D, the resonant tunneling features are unusually sharp, and can be easily modulated with one or more surface gates. We demonstrate DELTTs with peak-to-valley ratios in the source-drain I-V curve of order 20:1 below 1 K. Both the height and position of the resonant current peak can be controlled by gate voltage over a wide range. DELTTs with larger subband energy offsets ({approximately} 21 meV) exhibit characteristics that are nearly as good at 77 K, in good agreement with our theoretical calculations. Using these devices, we also demonstrate bistable memories operating at 77 K. Finally, we briefly discuss the prospects for room temperature operation, increases in gain, and high-speed.

  2. 'Brukin2D': a 2D visualization and comparison tool for LC-MS data

    PubMed Central

    Tsagkrasoulis, Dimosthenis; Zerefos, Panagiotis; Loudos, George; Vlahou, Antonia; Baumann, Marc; Kossida, Sophia

    2009-01-01

    Background Liquid Chromatography-Mass Spectrometry (LC-MS) is a commonly used technique to resolve complex protein mixtures. Visualization of large data sets produced from LC-MS, namely the chromatogram and the mass spectra that correspond to its compounds is the focus of this work. Results The in-house developed 'Brukin2D' software, built in Matlab 7.4, which is presented here, uses the compound data that are exported from the Bruker 'DataAnalysis' program, and depicts the mean mass spectra of all the chromatogram compounds from one LC-MS run, in one 2D contour/density plot. Two contour plots from different chromatograph runs can then be viewed in the same window and automatically compared, in order to find their similarities and differences. The results of the comparison can be examined through detailed mass quantification tables, while chromatogram compound statistics are also calculated during the procedure. Conclusion 'Brukin2D' provides a user-friendly platform for quick, easy and integrated view of complex LC-MS data. The software is available at . PMID:19534737

  3. Inhibition of human cytochrome P450 2D6 (CYP2D6) by methadone.

    PubMed Central

    Wu, D; Otton, S V; Sproule, B A; Busto, U; Inaba, T; Kalow, W; Sellers, E M

    1993-01-01

    1. In microsomes prepared from three human livers, methadone competitively inhibited the O-demethylation of dextromethorphan, a marker substrate for CYP2D6. The apparent Ki value of methadone ranged from 2.5 to 5 microM. 2. Two hundred and fifty-two (252) white Caucasians, including 210 unrelated healthy volunteers and 42 opiate abusers undergoing treatment with methadone were phenotyped using dextromethorphan as the marker drug. Although the frequency of poor metabolizers was similar in both groups, the extensive metabolizers among the opiate abusers tended to have higher O-demethylation metabolic ratios and to excrete less of the dose as dextromethorphan metabolites than control extensive metabolizer subjects. These data suggest inhibition of CYP2D6 by methadone in vivo as well. 3. Because methadone is widely used in the treatment of opiate abuse, inhibition of CYP2D6 activity in these patients might contribute to exaggerated response or unexpected toxicity from drugs that are substrates of this enzyme. PMID:8448065

  4. Electron dynamics and valley relaxation in 2D semiconductors

    NASA Astrophysics Data System (ADS)

    Gundogdu, Kenan

    2015-03-01

    Single layer transition metal dichalcogenides are 2D semiconducting systems with unique electronic band structure. Two-valley energy bands along with strong spin-orbital coupling lead to valley dependent career spin polarization, which is the basis for recently proposed valleytronic applications. Since the durations of valley population provide the time window in which valley specific processes take place, it is an essential parameter for developing valleytronic devices. These systems also exhibit unusually strong many body affects, such as strong exciton and trion binding, due to reduced dielectric screening of Coulomb interactions. But there is not much known about the impact of strong many particle correlations on spin and valley polarization dynamics. Here we report direct measurements of ultrafast valley specific relaxation dynamics in single layer MoS2 and WS2. We found that excitonic many body interactions significantly contribute to the relaxation process. Biexciton formation reveals hole valley spin relaxation time. Our results also suggest initial fast intervalley electron scattering and electron spin relaxation leads to loss of electron valley polarization, which then facilitates hole valley relaxation via excitonic spin exchange interaction.

  5. Correlated Electron Phenomena in 2D Materials

    NASA Astrophysics Data System (ADS)

    Lambert, Joseph G.

    In this thesis, I present experimental results on coherent electron phenomena in layered two-dimensional materials: single layer graphene and van der Waals coupled 2D TiSe2. Graphene is a two-dimensional single-atom thick sheet of carbon atoms first derived from bulk graphite by the mechanical exfoliation technique in 2004. Low-energy charge carriers in graphene behave like massless Dirac fermions, and their density can be easily tuned between electron-rich and hole-rich quasiparticles with electrostatic gating techniques. The sharp interfaces between regions of different carrier densities form barriers with selective transmission, making them behave as partially reflecting mirrors. When two of these interfaces are set at a separation distance within the phase coherence length of the carriers, they form an electronic version of a Fabry-Perot cavity. I present measurements and analysis of multiple Fabry-Perot modes in graphene with parallel electrodes spaced a few hundred nanometers apart. Transition metal dichalcogenide (TMD) TiSe2 is part of the family of materials that coined the term "materials beyond graphene". It contains van der Waals coupled trilayer stacks of Se-Ti-Se. Many TMD materials exhibit a host of interesting correlated electronic phases. In particular, TiSe2 exhibits chiral charge density waves (CDW) below TCDW ˜ 200 K. Upon doping with copper, the CDW state gets suppressed with Cu concentration, and CuxTiSe2 becomes superconducting with critical temperature of T c = 4.15 K. There is still much debate over the mechanisms governing the coexistence of the two correlated electronic phases---CDW and superconductivity. I will present some of the first conductance spectroscopy measurements of proximity coupled superconductor-CDW systems. Measurements reveal a proximity-induced critical current at the Nb-TiSe2 interfaces, suggesting pair correlations in the pure TiSe2. The results indicate that superconducting order is present concurrently with CDW in

  6. CYP2D7 Sequence Variation Interferes with TaqMan CYP2D6*15 and *35 Genotyping

    PubMed Central

    Riffel, Amanda K.; Dehghani, Mehdi; Hartshorne, Toinette; Floyd, Kristen C.; Leeder, J. Steven; Rosenblatt, Kevin P.; Gaedigk, Andrea

    2016-01-01

    TaqMan™ genotyping assays are widely used to genotype CYP2D6, which encodes a major drug metabolizing enzyme. Assay design for CYP2D6 can be challenging owing to the presence of two pseudogenes, CYP2D7 and CYP2D8, structural and copy number variation and numerous single nucleotide polymorphisms (SNPs) some of which reflect the wild-type sequence of the CYP2D7 pseudogene. The aim of this study was to identify the mechanism causing false-positive CYP2D6*15 calls and remediate those by redesigning and validating alternative TaqMan genotype assays. Among 13,866 DNA samples genotyped by the CompanionDx® lab on the OpenArray platform, 70 samples were identified as heterozygotes for 137Tins, the key SNP of CYP2D6*15. However, only 15 samples were confirmed when tested with the Luminex xTAG CYP2D6 Kit and sequencing of CYP2D6-specific long range (XL)-PCR products. Genotype and gene resequencing of CYP2D6 and CYP2D7-specific XL-PCR products revealed a CC>GT dinucleotide SNP in exon 1 of CYP2D7 that reverts the sequence to CYP2D6 and allows a TaqMan assay PCR primer to bind. Because CYP2D7 also carries a Tins, a false-positive mutation signal is generated. This CYP2D7 SNP was also responsible for generating false-positive signals for rs769258 (CYP2D6*35) which is also located in exon 1. Although alternative CYP2D6*15 and *35 assays resolved the issue, we discovered a novel CYP2D6*15 subvariant in one sample that carries additional SNPs preventing detection with the alternate assay. The frequency of CYP2D6*15 was 0.1% in this ethnically diverse U.S. population sample. In addition, we also discovered linkage between the CYP2D7 CC>GT dinucleotide SNP and the 77G>A (rs28371696) SNP of CYP2D6*43. The frequency of this tentatively functional allele was 0.2%. Taken together, these findings emphasize that regardless of how careful genotyping assays are designed and evaluated before being commercially marketed, rare or unknown SNPs underneath primer and/or probe regions can impact

  7. CYP2D7 Sequence Variation Interferes with TaqMan CYP2D6 (*) 15 and (*) 35 Genotyping.

    PubMed

    Riffel, Amanda K; Dehghani, Mehdi; Hartshorne, Toinette; Floyd, Kristen C; Leeder, J Steven; Rosenblatt, Kevin P; Gaedigk, Andrea

    2015-01-01

    TaqMan™ genotyping assays are widely used to genotype CYP2D6, which encodes a major drug metabolizing enzyme. Assay design for CYP2D6 can be challenging owing to the presence of two pseudogenes, CYP2D7 and CYP2D8, structural and copy number variation and numerous single nucleotide polymorphisms (SNPs) some of which reflect the wild-type sequence of the CYP2D7 pseudogene. The aim of this study was to identify the mechanism causing false-positive CYP2D6 (*) 15 calls and remediate those by redesigning and validating alternative TaqMan genotype assays. Among 13,866 DNA samples genotyped by the CompanionDx® lab on the OpenArray platform, 70 samples were identified as heterozygotes for 137Tins, the key SNP of CYP2D6 (*) 15. However, only 15 samples were confirmed when tested with the Luminex xTAG CYP2D6 Kit and sequencing of CYP2D6-specific long range (XL)-PCR products. Genotype and gene resequencing of CYP2D6 and CYP2D7-specific XL-PCR products revealed a CC>GT dinucleotide SNP in exon 1 of CYP2D7 that reverts the sequence to CYP2D6 and allows a TaqMan assay PCR primer to bind. Because CYP2D7 also carries a Tins, a false-positive mutation signal is generated. This CYP2D7 SNP was also responsible for generating false-positive signals for rs769258 (CYP2D6 (*) 35) which is also located in exon 1. Although alternative CYP2D6 (*) 15 and (*) 35 assays resolved the issue, we discovered a novel CYP2D6 (*) 15 subvariant in one sample that carries additional SNPs preventing detection with the alternate assay. The frequency of CYP2D6 (*) 15 was 0.1% in this ethnically diverse U.S. population sample. In addition, we also discovered linkage between the CYP2D7 CC>GT dinucleotide SNP and the 77G>A (rs28371696) SNP of CYP2D6 (*) 43. The frequency of this tentatively functional allele was 0.2%. Taken together, these findings emphasize that regardless of how careful genotyping assays are designed and evaluated before being commercially marketed, rare or unknown SNPs underneath primer

  8. The Mammalian Orthologs of Drosophila Lgd, CC2D1A and CC2D1B, Function in the Endocytic Pathway, but Their Individual Loss of Function Does Not Affect Notch Signalling

    PubMed Central

    Drusenheimer, Nadja; Migdal, Bernhard; Jäckel, Sandra; Tveriakhina, Lena; Scheider, Kristina; Schulz, Katharina; Gröper, Jieny; Köhrer, Karl; Klein, Thomas

    2015-01-01

    CC2D1A and CC2D1B belong to the evolutionary conserved Lgd protein family with members in all multi-cellular animals. Several functions such as centrosomal cleavage, involvement in signalling pathways, immune response and synapse maturation have been described for CC2D1A. Moreover, the Drosophila melanogaster ortholog Lgd was shown to be involved in the endosomal trafficking of the Notch receptor and other transmembrane receptors and physically interacts with the ESCRT-III component Shrub/CHMP4. To determine if this function is conserved in mammals we generated and characterized Cc2d1a and Cc2d1b conditional knockout mice. While Cc2d1b deficient mice displayed no obvious phenotype, we found that Cc2d1a deficient mice as well as conditional mutants that lack CC2D1A only in the nervous system die shortly after birth due to respiratory distress. This finding confirms the suspicion that the breathing defect is caused by the central nervous system. However, an involvement in centrosomal function could not be confirmed in Cc2d1a deficient MEF cells. To analyse an influence on Notch signalling, we generated intestine specific Cc2d1a mutant mice. These mice did not display any alterations in goblet cell number, proliferating cell number or expression of the Notch reporter Hes1-emGFP, suggesting that CC2D1A is not required for Notch signalling. However, our EM analysis revealed that the average size of endosomes of Cc2d1a mutant cells, but not Cc2d1b mutant cells, is increased, indicating a defect in endosomal morphogenesis. We could show that CC2D1A and its interaction partner CHMP4B are localised on endosomes in MEF cells, when the activity of the endosomal protein VPS4 is reduced. This indicates that CC2D1A cycles between the cytosol and the endosomal membrane. Additionally, in rescue experiments in D. melanogaster, CC2D1A and CC2D1B were able to functionally replace Lgd. Altogether our data suggest a functional conservation of the Lgd protein family in the ESCRT

  9. Network models for 2D disordered superconductors

    NASA Astrophysics Data System (ADS)

    Kagalovsky, Victor; Horovitz, Baruch; Avishai, Yshai

    2004-04-01

    We study new random matrix symmetry classes which arise in models of non-interacting quasi-particles in disordered superconductors. Within the Altland-Zirnbauer classification scheme these are class C (with time-reversal symmetry broken and spin-rotaion invariance intact), and class D where both symmetries are broken. Preliminary studies of the two remaining symmetry classes CI and DIII are briefly mentioned. New results are presented pertaining to the 3d realization of class C, which, physically, corresponds to a layered superconductor.

  10. Mechanical loading and the synthesis of 1,25(OH)2D in primary human osteoblasts.

    PubMed

    van der Meijden, K; Bakker, A D; van Essen, H W; Heijboer, A C; Schulten, E A J M; Lips, P; Bravenboer, N

    2016-02-01

    local vitamin D metabolism in primary human osteoblasts. Our results suggest that 1,25(OH)2D3 and mechanical loading, both stimuli of the differentiation of osteoblasts, interact at the cellular level.

  11. Numerical simulation of rock cutting using 2D AUTODYN

    NASA Astrophysics Data System (ADS)

    Woldemichael, D. E.; Rani, A. M. Abdul; Lemma, T. A.; Altaf, K.

    2015-12-01

    In a drilling process for oil and gas exploration, understanding of the interaction between the cutting tool and the rock is important for optimization of the drilling process using polycrystalline diamond compact (PDC) cutters. In this study the finite element method in ANSYS AUTODYN-2D is used to simulate the dynamics of cutter rock interaction, rock failure, and fragmentation. A two-dimensional single PDC cutter and rock model were used to simulate the orthogonal cutting process and to investigate the effect of different parameters such as depth of cut, and back rake angle on two types of rocks (sandstone and limestone). In the simulation, the cutting tool was dragged against stationary rock at predetermined linear velocity and the depth of cut (1,2, and 3 mm) and the back rake angles(-10°, 0°, and +10°) were varied. The simulation result shows that the +10° back rake angle results in higher rate of penetration (ROP). Increasing depth of cut leads to higher ROP at the cost of higher cutting force.

  12. Mechanical characterization of 2D, 2D stitched, and 3D braided/RTM materials

    NASA Technical Reports Server (NTRS)

    Deaton, Jerry W.; Kullerd, Susan M.; Portanova, Marc A.

    1993-01-01

    Braided composite materials have potential for application in aircraft structures. Fuselage frames, floor beams, wing spars, and stiffeners are examples where braided composites could find application if cost effective processing and damage tolerance requirements are met. Another important consideration for braided composites relates to their mechanical properties and how they compare to the properties of composites produced by other textile composite processes being proposed for these applications. Unfortunately, mechanical property data for braided composites do not appear extensively in the literature. Data are presented in this paper on the mechanical characterization of 2D triaxial braid, 2D triaxial braid plus stitching, and 3D (through-the-thickness) braid composite materials. The braided preforms all had the same graphite tow size and the same nominal braid architectures, (+/- 30 deg/0 deg), and were resin transfer molded (RTM) using the same mold for each of two different resin systems. Static data are presented for notched and unnotched tension, notched and unnotched compression, and compression after impact strengths at room temperature. In addition, some static results, after environmental conditioning, are included. Baseline tension and compression fatigue results are also presented, but only for the 3D braided composite material with one of the resin systems.

  13. Nano-scale electronic and optoelectronic devices based on 2D crystals

    NASA Astrophysics Data System (ADS)

    Zhu, Wenjuan

    In the last few years, the research community has been rapidly growing interests in two-dimensional (2D) crystals and their applications. The properties of these 2D crystals are diverse -- ranging from semi-metal such as graphene, semiconductors such as MoS2, to insulator such as boron nitride. These 2D crystals have many unique properties as compared to their bulk counterparts due to their reduced dimensionality and symmetry. A key difference is the band structures, which lead to distinct electronic and photonic properties. The 2D nature of the material also plays an important role in defining their exceptional properties of mechanical strength, surface sensitivity, thermal conductivity, tunable band-gap and their interaction with light. These unique properties of 2D crystals open up a broad territory of applications in computing, communication, energy, and medicine. In this talk, I will present our work on understanding the electrical properties of graphene and MoS2, in particular current transport and band-gap engineering in graphene, interface between gate dielectrics and graphene, and gap states in MoS2. I will also present our work on the nano-scale electronic devices (RF and logic devices) and photonic devices (plasmonic devices and photo-detectors) based on these 2D crystals.

  14. Computational Screening of 2D Materials for Photocatalysis.

    PubMed

    Singh, Arunima K; Mathew, Kiran; Zhuang, Houlong L; Hennig, Richard G

    2015-03-19

    Two-dimensional (2D) materials exhibit a range of extraordinary electronic, optical, and mechanical properties different from their bulk counterparts with potential applications for 2D materials emerging in energy storage and conversion technologies. In this Perspective, we summarize the recent developments in the field of solar water splitting using 2D materials and review a computational screening approach to rapidly and efficiently discover more 2D materials that possess properties suitable for solar water splitting. Computational tools based on density-functional theory can predict the intrinsic properties of potential photocatalyst such as their electronic properties, optical absorbance, and solubility in aqueous solutions. Computational tools enable the exploration of possible routes to enhance the photocatalytic activity of 2D materials by use of mechanical strain, bias potential, doping, and pH. We discuss future research directions and needed method developments for the computational design and optimization of 2D materials for photocatalysis.

  15. PLAN2D - A PROGRAM FOR ELASTO-PLASTIC ANALYSIS OF PLANAR FRAMES

    NASA Technical Reports Server (NTRS)

    Lawrence, C.

    1994-01-01

    PLAN2D is a FORTRAN computer program for the plastic analysis of planar rigid frame structures. Given a structure and loading pattern as input, PLAN2D calculates the ultimate load that the structure can sustain before collapse. Element moments and plastic hinge rotations are calculated for the ultimate load. The location of hinges required for a collapse mechanism to form are also determined. The program proceeds in an iterative series of linear elastic analyses. After each iteration the resulting elastic moments in each member are compared to the reserve plastic moment capacity of that member. The member or members that have moments closest to their reserve capacity will determine the minimum load factor and the site where the next hinge is to be inserted. Next, hinges are inserted and the structural stiffness matrix is reformulated. This cycle is repeated until the structure becomes unstable. At this point the ultimate collapse load is calculated by accumulating the minimum load factor from each previous iteration and multiplying them by the original input loads. PLAN2D is based on the program STAN, originally written by Dr. E.L. Wilson at U.C. Berkeley. PLAN2D has several limitations: 1) Although PLAN2D will detect unloading of hinges it does not contain the capability to remove hinges; 2) PLAN2D does not allow the user to input different positive and negative moment capacities and 3) PLAN2D does not consider the interaction between axial and plastic moment capacity. Axial yielding and buckling is ignored as is the reduction in moment capacity due to axial load. PLAN2D is written in FORTRAN and is machine independent. It has been tested on an IBM PC and a DEC MicroVAX. The program was developed in 1988.

  16. Caffeine increases striatal dopamine D2/D3 receptor availability in the human brain

    DOE PAGES

    Volkow, N. D.; Wang, G. -J.; Logan, J.; Alexoff, D.; Fowler, J. S.; Thanos, P. K.; Wong, C.; Casado, V.; Ferre, S.; Tomasi, D.

    2015-04-14

    Caffeine, the most widely consumed psychoactive substance in the world, is used to promote wakefulness and enhance alertness. Like other wake-promoting drugs (stimulants and modafinil), caffeine enhances dopamine (DA) signaling in the brain, which it does predominantly by antagonizing adenosine A2A receptors (A2AR). However, it is unclear if caffeine, at the doses consumed by humans, increases DA release or whether it modulates the functions of postsynaptic DA receptors through its interaction with adenosine receptors, which modulate them. We used positron emission tomography and [11C]raclopride (DA D2/D3 receptor radioligand sensitive to endogenous DA) to assess if caffeine increased DA release inmore » striatum in 20 healthy controls. Caffeine (300mg p.o.) significantly increased the availability of D2/D3 receptors in putamen and ventral striatum, but not in caudate, when compared with placebo. In addition, caffeine-induced increases in D2/D3 receptor availability in the ventral striatum were associated with caffeine-induced increases in alertness. Our findings indicate that in the human brain, caffeine, at doses typically consumed, increases the availability of DA D2/D3 receptors, which indicates that caffeine does not increase DA in the striatum for this would have decreased D2/D3 receptor availability. Instead, we interpret our findings to reflect an increase in D2/D3 receptor levels in striatum with caffeine (or changes in affinity). Furthermore, the association between increases in D2/D3 receptor availability in ventral striatum and alertness suggests that caffeine might enhance arousal, in part, by upregulating D2/D3 receptors.« less

  17. Caffeine increases striatal dopamine D2/D3 receptor availability in the human brain.

    PubMed

    Volkow, N D; Wang, G-J; Logan, J; Alexoff, D; Fowler, J S; Thanos, P K; Wong, C; Casado, V; Ferre, S; Tomasi, D

    2015-01-01

    Caffeine, the most widely consumed psychoactive substance in the world, is used to promote wakefulness and enhance alertness. Like other wake-promoting drugs (stimulants and modafinil), caffeine enhances dopamine (DA) signaling in the brain, which it does predominantly by antagonizing adenosine A2A receptors (A2AR). However, it is unclear if caffeine, at the doses consumed by humans, increases DA release or whether it modulates the functions of postsynaptic DA receptors through its interaction with adenosine receptors, which modulate them. We used positron emission tomography and [(11)C]raclopride (DA D2/D3 receptor radioligand sensitive to endogenous DA) to assess if caffeine increased DA release in striatum in 20 healthy controls. Caffeine (300 mg p.o.) significantly increased the availability of D2/D3 receptors in putamen and ventral striatum, but not in caudate, when compared with placebo. In addition, caffeine-induced increases in D2/D3 receptor availability in the ventral striatum were associated with caffeine-induced increases in alertness. Our findings indicate that in the human brain, caffeine, at doses typically consumed, increases the availability of DA D2/D3 receptors, which indicates that caffeine does not increase DA in the striatum for this would have decreased D2/D3 receptor availability. Instead, we interpret our findings to reflect an increase in D2/D3 receptor levels in striatum with caffeine (or changes in affinity). The association between increases in D2/D3 receptor availability in ventral striatum and alertness suggests that caffeine might enhance arousal, in part, by upregulating D2/D3 receptors. PMID:25871974

  18. Caffeine increases striatal dopamine D2/D3 receptor availability in the human brain.

    PubMed

    Volkow, N D; Wang, G-J; Logan, J; Alexoff, D; Fowler, J S; Thanos, P K; Wong, C; Casado, V; Ferre, S; Tomasi, D

    2015-04-14

    Caffeine, the most widely consumed psychoactive substance in the world, is used to promote wakefulness and enhance alertness. Like other wake-promoting drugs (stimulants and modafinil), caffeine enhances dopamine (DA) signaling in the brain, which it does predominantly by antagonizing adenosine A2A receptors (A2AR). However, it is unclear if caffeine, at the doses consumed by humans, increases DA release or whether it modulates the functions of postsynaptic DA receptors through its interaction with adenosine receptors, which modulate them. We used positron emission tomography and [(11)C]raclopride (DA D2/D3 receptor radioligand sensitive to endogenous DA) to assess if caffeine increased DA release in striatum in 20 healthy controls. Caffeine (300 mg p.o.) significantly increased the availability of D2/D3 receptors in putamen and ventral striatum, but not in caudate, when compared with placebo. In addition, caffeine-induced increases in D2/D3 receptor availability in the ventral striatum were associated with caffeine-induced increases in alertness. Our findings indicate that in the human brain, caffeine, at doses typically consumed, increases the availability of DA D2/D3 receptors, which indicates that caffeine does not increase DA in the striatum for this would have decreased D2/D3 receptor availability. Instead, we interpret our findings to reflect an increase in D2/D3 receptor levels in striatum with caffeine (or changes in affinity). The association between increases in D2/D3 receptor availability in ventral striatum and alertness suggests that caffeine might enhance arousal, in part, by upregulating D2/D3 receptors.

  19. Synthetic Covalent and Non-Covalent 2D Materials.

    PubMed

    Boott, Charlotte E; Nazemi, Ali; Manners, Ian

    2015-11-16

    The creation of synthetic 2D materials represents an attractive challenge that is ultimately driven by their prospective uses in, for example, electronics, biomedicine, catalysis, sensing, and as membranes for separation and filtration. This Review illustrates some recent advances in this diverse field with a focus on covalent and non-covalent 2D polymers and frameworks, and self-assembled 2D materials derived from nanoparticles, homopolymers, and block copolymers.

  20. 2D-3D MIGRATION AND CONFORMATIONAL MULTIPLICATION OF CHEMICALS IN LARGE CHEMICAL INVENTORIES

    EPA Science Inventory

    Chemical interactions are three-dimensional (3D) in nature and require modeling chemicals as 3D entities. In turn, using 3D models of chemicals leads to the realization that a single 2D structure can have hundreds of different conformations, and the electronic properties of these...

  1. Edge absorption and circular photogalvanic effect in 2D topological insulator edges

    NASA Astrophysics Data System (ADS)

    Entin, M. V.; Magarill, L. I.

    2016-06-01

    The electron absorption on the edge states and the edge photocurrent of a 2D topological insulator (TI) are studied. We consider the optical transitions within linear edge branches of the energy spectrum. The interaction with impurities is taken into account. The circular polarization is found to produce the edge photocurrent, the direction of which is determined by light polarization and edge orientation.

  2. Effects of Cognitive Styles on 2D Drafting and Design Performance in Digital Media

    ERIC Educational Resources Information Center

    Pektas, Sule Tasli

    2010-01-01

    This paper investigates the interactions between design students' cognitive styles, as measured by Riding's Cognitive Styles Analysis, and performance in 2D drafting and design tasks in digital media. An empirical research revealed that Imager students outperformed Verbalisers in both drafting and creativity scores. Wholist-Analytic cognitive…

  3. Flow past 2-D Hemispherical Rigid Canopies

    NASA Astrophysics Data System (ADS)

    Carnasciali, Maria-Isabel

    2013-11-01

    The flow past a 2-dimensional rigid hemispherical shape is investigated using PIV. Flow field measurements and images were generated with the use of a Thermoflow® apparatus. Results of this study are compared to prior work (APS DFD 2012 Session E9.00003) which employed CFD to investigate the flow in the near wake of hemispherical parachutes. The various sized gaps/open areas were positioned at distinct locations. The work presented here is part of a larger research project to investigate flow fields in deceleration devices and parachutes. Understanding the pitch-stability of parachutes is essential for accurate design and implementation of these deceleration devices but they present a difficult system to analyze. The flexibility of the parachute fabric results in large variations in the parachute geometry leading to complex fluid-structure interactions. Such flow, combined with flow through gaps and open areas, has been postulated to shed alternating vortices causing pitching/oscillations of the canopy. The results presented provide some insight into which geometric features affect vortex shedding and may enable the redesign of the baseline parachute to minimize instabilities.

  4. A Geometric Boolean Library for 2D Objects

    2006-01-05

    The 2D Boolean Library is a collection of C++ classes -- which primarily represent 2D geometric data and relationships, and routines -- which contain algorithms for 2D geometric Boolean operations and utility functions. Classes are provided for 2D points, lines, arcs, edgeuses, loops, surfaces and mask sets. Routines are provided that incorporate the Boolean operations Union(OR), XOR, Intersection and Difference. Various analytical geometry routines and routines for importing and exporting the data in various filemore » formats, are also provided in the library.« less

  5. VizieR Online Data Catalog: The 2dF Galaxy Redshift Survey (2dFGRS) (2dFGRS Team, 1998-2003)

    NASA Astrophysics Data System (ADS)

    Colless, M.; Dalton, G.; Maddox, S.; Sutherland, W.; Norberg, P.; Cole, S.; Bland-Hawthorn, J.; Bridges, T.; Cannon, R.; Collins, C.; Couch, W.; Cross, N.; Deeley, K.; de Propris, R.; Driver, S. P.; Efstathiou, G.; Ellis, R. S.; Frenk, C. S.; Glazebrook, K.; Jackson, C.; Lahav, O.; Lewis, I.; Lumsden, S.; Madgwick, D.; Peacock, J. A.; Peterson, B. A.; Price, I.; Seaborne, M.; Taylor, K.

    2007-11-01

    The 2dF Galaxy Redshift Survey (2dFGRS) is a major spectroscopic survey taking full advantage of the unique capabilities of the 2dF facility built by the Anglo-Australian Observatory. The 2dFGRS is integrated with the 2dF QSO survey (2QZ, Cat. VII/241). The 2dFGRS obtained spectra for 245591 objects, mainly galaxies, brighter than a nominal extinction-corrected magnitude limit of bJ=19.45. Reliable (quality>=3) redshifts were obtained for 221414 galaxies. The galaxies cover an area of approximately 1500 square degrees selected from the extended APM Galaxy Survey in three regions: a North Galactic Pole (NGP) strip, a South Galactic Pole (SGP) strip, and random fields scattered around the SGP strip. Redshifts are measured from spectra covering 3600-8000 Angstroms at a two-pixel resolution of 9.0 Angstrom and a median S/N of 13 per pixel. All redshift identifications are visually checked and assigned a quality parameter Q in the range 1-5; Q>=3 redshifts are 98.4% reliable and have an rms uncertainty of 85 km/s. The overall redshift completeness for Q>=3 redshifts is 91.8% but this varies with magnitude from 99% for the brightest galaxies to 90% for objects at the survey limit. The 2dFGRS data base is available on the World Wide Web at http://www.mso.anu.edu.au/2dFGRS/. (6 data files).

  6. A series of 2D metal-quinolone complexes: Syntheses, structures, and physical properties

    SciTech Connect

    He, Jiang-Hong; Xiao, Dong-Rong; Chen, Hai-Yan; Sun, Dian-Zhen; Yan, Shi-Wei; Wang, Xin; Ye, Zhong-Li; Luo, Qun-Li; Wang, En-Bo

    2013-02-15

    Six novel 2D metal-quinolone complexes, namely [Cd(cfH)(bpdc)]{center_dot}H{sub 2}O (1), [M(norfH)(bpdc)]{center_dot}H{sub 2}O (M=Cd (2) and Mn (3)), [Mn{sub 2}(cfH)(odpa)(H{sub 2}O){sub 3}]{center_dot}0.5H{sub 2}O (4), [Co{sub 2}(norfH)(bpta)({mu}{sub 2}-H{sub 2}O)(H{sub 2}O){sub 2}]{center_dot}H{sub 2}O (5) and [Co{sub 3}(saraH){sub 2}(Hbpta){sub 2}(H{sub 2}O){sub 4}]{center_dot}9H{sub 2}O (6) (cfH=ciprofloxacin, norfH=norfloxacin, saraH=sarafloxacin, bpdc=4,4 Prime -biphenyldicarboxylate, odpa=4,4 Prime -oxydiphthalate, bpta=3,3 Prime ,4,4 Prime -biphenyltetracarboxylate) have been synthesized and characterized. Compounds 1-3 consist of 2D arm-shaped layers based on the 1D {l_brace}M(COO){r_brace}{sub n}{sup n+} chains. Compounds 4 and 5 display 2D structures based on tetranuclear manganese or cobalt clusters with (3,6)-connected kgd topology. Compound 6 exhibits a 2D bilayer structure, which represents the first example of metal-quinolone complexes with 2D bilayer structure. By inspection of the structures of 1-6, it is believed that the long aromatic polycarboxylate ligands are important for the formation of 2D metal-quinolone complexes. The magnetic properties of compounds 3-6 was studied, indicating the existence of antiferromagnetic interactions. Furthermore, the luminescent properties of compounds 1-2 are discussed. - Graphical abstract: Six novel 2D metal-quinolone complexes have been prepared by self-assemblies of the quinolones and metal salts in the presence of long aromatic polycarboxylates. Highlights: Black-Right-Pointing-Pointer Compounds 1-3 consist of novel 2D arm-shaped layers based on the 1D {l_brace}M(COO){r_brace}{sub n}{sup n+} chains. Black-Right-Pointing-Pointer Compounds 4 and 5 are two novel 2D layers based on tetranuclear Mn or Co clusters with kgd topology. Black-Right-Pointing-Pointer Compound 6 is the first example of metal-quinolone complexes with 2D bilayer structure. Black-Right-Pointing-Pointer Compounds 1-6 represent six unusual

  7. Klassifikation von Standardebenen in der 2D-Echokardiographie mittels 2D-3D-Bildregistrierung

    NASA Astrophysics Data System (ADS)

    Bergmeir, Christoph; Subramanian, Navneeth

    Zum Zweck der Entwicklung eines Systems, das einen unerfahrenen Anwender von Ultraschall (US) zur Aufnahme relevanter anatomischer Strukturen leitet, untersuchen wir die Machbarkeit von 2D-US zu 3D-CT Registrierung. Wir verwenden US-Aufnahmen von Standardebenen des Herzens, welche zu einem 3D-CT-Modell registriert werden. Unser Algorithmus unterzieht sowohl die US-Bilder als auch den CT-Datensatz Vorverarbeitungsschritten, welche die Daten durch Segmentierung auf wesentliche Informationen in Form von Labein für Muskel und Blut reduzieren. Anschließend werden diese Label zur Registrierung mittels der Match-Cardinality-Metrik genutzt. Durch mehrmaliges Registrieren mit verschiedenen Initialisierungen ermitteln wir die im US-Bild sichtbare Standardebene. Wir evaluierten die Methode auf sieben US-Bildern von Standardebenen. Fünf davon wurden korrekt zugeordnet.

  8. Epitaxial 2D SnSe2/ 2D WSe2 van der Waals Heterostructures.

    PubMed

    Aretouli, Kleopatra Emmanouil; Tsoutsou, Dimitra; Tsipas, Polychronis; Marquez-Velasco, Jose; Aminalragia Giamini, Sigiava; Kelaidis, Nicolaos; Psycharis, Vassilis; Dimoulas, Athanasios

    2016-09-01

    van der Waals heterostructures of 2D semiconductor materials can be used to realize a number of (opto)electronic devices including tunneling field effect devices (TFETs). It is shown in this work that high quality SnSe2/WSe2 vdW heterostructure can be grown by molecular beam epitaxy on AlN(0001)/Si(111) substrates using a Bi2Se3 buffer layer. A valence band offset of 0.8 eV matches the energy gap of SnSe2 in such a way that the VB edge of WSe2 and the CB edge of SnSe2 are lined up, making this materials combination suitable for (nearly) broken gap TFETs. PMID:27537619

  9. CVMAC 2D Program: A method of converting 3D to 2D

    SciTech Connect

    Lown, J.

    1990-06-20

    This paper presents the user with a method of converting a three- dimensional wire frame model into a technical illustration, detail, or assembly drawing. By using the 2D Program, entities can be mapped from three-dimensional model space into two-dimensional model space, as if they are being traced. Selected entities to be mapped can include circles, arcs, lines, and points. This program prompts the user to digitize the view to be mapped, specify the layers in which the new two-dimensional entities will reside, and select the entities, either by digitizing or windowing. The new two-dimensional entities are displayed in a small view which the program creates in the lower left corner of the drawing. 9 figs.

  10. 2D Four-Channel Perfect Reconstruction Filter Bank Realized with the 2D Lattice Filter Structure

    NASA Astrophysics Data System (ADS)

    Sezen, S.; Ertüzün, A.

    2006-12-01

    A novel orthogonal 2D lattice structure is incorporated into the design of a nonseparable 2D four-channel perfect reconstruction filter bank. The proposed filter bank is obtained by using the polyphase decomposition technique which requires the design of an orthogonal 2D lattice filter. Due to constraint of perfect reconstruction, each stage of this lattice filter bank is simply parameterized by two coefficients. The perfect reconstruction property is satisfied regardless of the actual values of these parameters and of the number of the lattice stages. It is also shown that a separable 2D four-channel perfect reconstruction lattice filter bank can be constructed from the 1D lattice filter and that this is a special case of the proposed 2D lattice filter bank under certain conditions. The perfect reconstruction property of the proposed 2D lattice filter approach is verified by computer simulations.

  11. Functional characterization of CYP2D6 enhancer polymorphisms

    PubMed Central

    Wang, Danxin; Papp, Audrey C.; Sun, Xiaochun

    2015-01-01

    CYP2D6 metabolizes nearly 25% of clinically used drugs. Genetic polymorphisms cause large inter-individual variability in CYP2D6 enzyme activity and are currently used as biomarker to predict CYP2D6 metabolizer phenotype. Previously, we had identified a region 115 kb downstream of CYP2D6 as enhancer for CYP2D6, containing two completely linked single nucleotide polymorphisms (SNPs), rs133333 and rs5758550, associated with enhanced transcription. However, the enhancer effect on CYP2D6 expression, and the causative variant, remained to be ascertained. To characterize the CYP2D6 enhancer element, we applied chromatin conformation capture combined with the next-generation sequencing (4C assays) and chromatin immunoprecipitation with P300 antibody, in HepG2 and human primary culture hepatocytes. The results confirmed the role of the previously identified enhancer region in CYP2D6 expression, expanding the number of candidate variants to three highly linked SNPs (rs133333, rs5758550 and rs4822082). Among these, only rs5758550 demonstrated regulating enhancer activity in a reporter gene assay. Use of clustered regularly interspaced short palindromic repeats mediated genome editing in HepG2 cells targeting suspected enhancer regions decreased CYP2D6 mRNA expression by 70%, only upon deletion of the rs5758550 region. These results demonstrate robust effects of both the enhancer element and SNP rs5758550 on CYP2D6 expression, supporting consideration of rs5758550 for CYP2D6 genotyping panels to yield more accurate phenotype prediction. PMID:25381333

  12. An Incompressible 2D Didactic Model with Singularity and Explicit Solutions of the 2D Boussinesq Equations

    NASA Astrophysics Data System (ADS)

    Chae, Dongho; Constantin, Peter; Wu, Jiahong

    2014-09-01

    We give an example of a well posed, finite energy, 2D incompressible active scalar equation with the same scaling as the surface quasi-geostrophic equation and prove that it can produce finite time singularities. In spite of its simplicity, this seems to be the first such example. Further, we construct explicit solutions of the 2D Boussinesq equations whose gradients grow exponentially in time for all time. In addition, we introduce a variant of the 2D Boussinesq equations which is perhaps a more faithful companion of the 3D axisymmetric Euler equations than the usual 2D Boussinesq equations.

  13. Summary of MELCOR 1.8.2 calculations for three LOCA sequences (AG, S2D, and S3D) at the Surry Plant

    SciTech Connect

    Kmetyk, L.; Smith, L.

    1994-03-01

    Activities involving regulatory implementation of updated source term information were pursued. These activities include the identification of the source term, the identification of the chemical form of iodine in the source term, and the timing of the source term`s entrance into containment. These activities are intended to support a more realistic source term for licensing nuclear power plants than the current TID-14844 source term and current licensing assumptions. MELCOR calculations were performed to support the technical basis for the updated source term. This report presents the results from three MELCOR calculations of nuclear power plant accident sequences and presents comparisons with Source Term code Package (STCP) calculations for the same sequences. The three low-pressure sequences were analyzed to identify the materials which enter containment (source terms) and are available for release to the environment, and to obtain timing of sequence events. The source terms include fission products and other materials such as those generated by core-concrete interactions. All three calculations, for both MELCOR and STCP, analyzed the Surry plant, a pressurized water reactor (PWR) with a subatmospheric containment design.

  14. Adaptation algorithms for 2-D feedforward neural networks.

    PubMed

    Kaczorek, T

    1995-01-01

    The generalized weight adaptation algorithms presented by J.G. Kuschewski et al. (1993) and by S.H. Zak and H.J. Sira-Ramirez (1990) are extended for 2-D madaline and 2-D two-layer feedforward neural nets (FNNs).

  15. Integrating Mobile Multimedia into Textbooks: 2D Barcodes

    ERIC Educational Resources Information Center

    Uluyol, Celebi; Agca, R. Kagan

    2012-01-01

    The major goal of this study was to empirically compare text-plus-mobile phone learning using an integrated 2D barcode tag in a printed text with three other conditions described in multimedia learning theory. The method examined in the study involved modifications of the instructional material such that: a 2D barcode was used near the text, the…

  16. Efficient Visible Quasi-2D Perovskite Light-Emitting Diodes.

    PubMed

    Byun, Jinwoo; Cho, Himchan; Wolf, Christoph; Jang, Mi; Sadhanala, Aditya; Friend, Richard H; Yang, Hoichang; Lee, Tae-Woo

    2016-09-01

    Efficient quasi-2D-structure perovskite light-emitting diodes (4.90 cd A(-1) ) are demonstrated by mixing a 3D-structured perovskite material (methyl ammonium lead bromide) and a 2D-structured perovskite material (phenylethyl ammonium lead bromide), which can be ascribed to better film uniformity, enhanced exciton confinement, and reduced trap density. PMID:27334788

  17. CYP2D6: novel genomic structures and alleles

    PubMed Central

    Kramer, Whitney E.; Walker, Denise L.; O’Kane, Dennis J.; Mrazek, David A.; Fisher, Pamela K.; Dukek, Brian A.; Bruflat, Jamie K.; Black, John L.

    2010-01-01

    Objective CYP2D6 is a polymorphic gene. It has been observed to be deleted, to be duplicated and to undergo recombination events involving the CYP2D7 pseudogene and surrounding sequences. The objective of this study was to discover the genomic structure of CYP2D6 recombinants that interfere with clinical genotyping platforms that are available today. Methods Clinical samples containing rare homozygous CYP2D6 alleles, ambiguous readouts, and those with duplication signals and two different alleles were analyzed by long-range PCR amplification of individual genes, PCR fragment analysis, allele-specific primer extension assay, and DNA sequencing to characterize alleles and genomic structure. Results Novel alleles, genomic structures, and the DNA sequence of these structures are described. Interestingly, in 49 of 50 DNA samples that had CYP2D6 gene duplications or multiplications where two alleles were detected, the chromosome containing the duplication or multiplication had identical tandem alleles. Conclusion Several new CYP2D6 alleles and genomic structures are described which will be useful for CYP2D6 genotyping. The findings suggest that the recombination events responsible for CYP2D6 duplications and multiplications are because of mechanisms other than interchromosomal crossover during meiosis. PMID:19741566

  18. Efficient Visible Quasi-2D Perovskite Light-Emitting Diodes.

    PubMed

    Byun, Jinwoo; Cho, Himchan; Wolf, Christoph; Jang, Mi; Sadhanala, Aditya; Friend, Richard H; Yang, Hoichang; Lee, Tae-Woo

    2016-09-01

    Efficient quasi-2D-structure perovskite light-emitting diodes (4.90 cd A(-1) ) are demonstrated by mixing a 3D-structured perovskite material (methyl ammonium lead bromide) and a 2D-structured perovskite material (phenylethyl ammonium lead bromide), which can be ascribed to better film uniformity, enhanced exciton confinement, and reduced trap density.

  19. 2D modeling of electromagnetic waves in cold plasmas

    SciTech Connect

    Crombé, K.; Van Eester, D.; Koch, R.; Kyrytsya, V.

    2014-02-12

    The consequences of sheath (rectified) electric fields, resulting from the different mobility of electrons and ions as a response to radio frequency (RF) fields, are a concern for RF antenna design as it can cause damage to antenna parts, limiters and other in-vessel components. As a first step to a more complete description, the usual cold plasma dielectric description has been adopted, and the density profile was assumed to be known as input. Ultimately, the relevant equations describing the wave-particle interaction both on the fast and slow timescale will need to be tackled but prior to doing so was felt as a necessity to get a feeling of the wave dynamics involved. Maxwell's equations are solved for a cold plasma in a 2D antenna box with strongly varying density profiles crossing also lower hybrid and ion-ion hybrid resonance layers. Numerical modelling quickly becomes demanding on computer power, since a fine grid spacing is required to capture the small wavelengths effects of strongly evanescent modes.

  20. Mesophases in nearly 2D room-temperature ionic liquids.

    PubMed

    Manini, N; Cesaratto, M; Del Pópolo, M G; Ballone, P

    2009-11-26

    Computer simulations of (i) a [C(12)mim][Tf(2)N] film of nanometric thickness squeezed at kbar pressure by a piecewise parabolic confining potential reveal a mesoscopic in-plane density and composition modulation reminiscent of mesophases seen in 3D samples of the same room-temperature ionic liquid (RTIL). Near 2D confinement, enforced by a high normal load, as well as relatively long aliphatic chains are strictly required for the mesophase formation, as confirmed by computations for two related systems made of (ii) the same [C(12)mim][Tf(2)N] adsorbed at a neutral solid surface and (iii) a shorter-chain RTIL ([C(4)mim][Tf(2)N]) trapped in the potential well of part i. No in-plane modulation is seen for ii and iii. In case ii, the optimal arrangement of charge and neutral tails is achieved by layering parallel to the surface, while, in case iii, weaker dispersion and packing interactions are unable to bring aliphatic tails together into mesoscopic islands, against overwhelming entropy and Coulomb forces. The onset of in-plane mesophases could greatly affect the properties of long-chain RTILs used as lubricants. PMID:19886615

  1. Quantum Simulation with 2D Arrays of Trapped Ions

    NASA Astrophysics Data System (ADS)

    Richerme, Philip

    2016-05-01

    The computational difficulty of solving fully quantum many-body spin problems is a significant obstacle to understanding the behavior of strongly correlated quantum matter. This work proposes the design and construction of a 2D quantum spin simulator to investigate the physics of frustrated materials, highly entangled states, mechanisms potentially underpinning high-temperature superconductivity, and other topics inaccessible to current 1D systems. The effective quantum spins will be encoded within the well-isolated electronic levels of trapped ions, confined in a two-dimensional planar geometry, and made to interact using phonon-mediated optical dipole forces. The system will be scalable to 100+ quantum particles, far beyond the realm of classical intractability, while maintaining individual-ion control, long quantum coherence times, and site-resolved projective spin measurements. Once constructed, the two-dimensional quantum simulator will implement a broad range of spin models on a variety of reconfigurable lattices and characterize their behavior through measurements of spin-spin correlations and entanglement. This versatile tool will serve as an important experimental resource for exploring difficult quantum many-body problems in a regime where classical methods fail.

  2. Ab initio modeling of 2D layered organohalide lead perovskites.

    PubMed

    Fraccarollo, Alberto; Cantatore, Valentina; Boschetto, Gabriele; Marchese, Leonardo; Cossi, Maurizio

    2016-04-28

    A number of 2D layered perovskites A2PbI4 and BPbI4, with A and B mono- and divalent ammonium and imidazolium cations, have been modeled with different theoretical methods. The periodic structures have been optimized (both in monoclinic and in triclinic systems, corresponding to eclipsed and staggered arrangements of the inorganic layers) at the DFT level, with hybrid functionals, Gaussian-type orbitals and dispersion energy corrections. With the same methods, the various contributions to the solid stabilization energy have been discussed, separating electrostatic and dispersion energies, organic-organic intralayer interactions and H-bonding effects, when applicable. Then the electronic band gaps have been computed with plane waves, at the DFT level with scalar and full relativistic potentials, and including the correlation energy through the GW approximation. Spin orbit coupling and GW effects have been combined in an additive scheme, validated by comparing the computed gap with well known experimental and theoretical results for a model system. Finally, various contributions to the computed band gaps have been discussed on some of the studied systems, by varying some geometrical parameters and by substituting one cation in another's place. PMID:27131557

  3. An Investigation of 2D Electrostatic Dust Levitation about Bennu

    NASA Astrophysics Data System (ADS)

    Hartzell, Christine; Zimmerman, Michael

    2015-11-01

    Electrostatic dust levitation has been hypothesized to occur near the surface of asteroids, due to the interaction of the solar wind plasma and UV radiation with the asteroids’ surfaces and their near-zero surficial gravity. Dust levitation could provide a mechanism to move regolith across the surface of an asteroid. Our preliminary investigations have identified grains sizes and the altitudes at which grains may levitate considering a semi-analytical 1D plasma model. However, our initial semi-analytical plasma model was not well-suited to the complex terminator region, where the surface transitions between positive (dominated by photoemission) and negative (in the plasma wake) potentials. In this analysis, we use a new 2D treecode-based plasma simulation to more accurately model the plasma environment about a simplified circular cross-section of the asteroid Bennu. We investigate the altitudes and grain sizes where electrostatic levitation could occur at Bennu. The improved plasma model will allow more accurate predictions of dust levitation and deposition, particularly in the terminator and wake regions that could not be characterized be earlier plasma models.

  4. 2-D Chemical-Dynamical Modeling of Venus's Sulfur Variability

    NASA Astrophysics Data System (ADS)

    Bierson, Carver J.; Zhang, Xi

    2016-10-01

    Over the last decade a combination of ground based and Venus Express observations have been made of the concentration of sulfur species in Venus's atmosphere, both above [1, 2] and below the clouds [3, 4]. These observations put constraints on both the vertical and meridional variations of the major sulfur species in Venus's atmosphere.. It has also been observed that SO2 concentrations varies on both timescales of hours and years [1,4]. The spatial and temporal distribution of tracer species is owing to two possibilities: mutual chemical interaction and dynamical tracer transport.Previous Chemical modeling of Venus's middle atmosphere has only been explored in 1-D. We will present the first 2-D (altitude and latitude) chemical-dynamical model for Venus's middle atmosphere. The sulfur chemistry is based on of the 1D model of Zhang et al. 2012 [5]. We do model runs over multiple Venus decades testing two scenarios: first one with varying sulfur fluxes from below, and second with secular dynamical perturbations in the atmosphere [6]. By comparing to Venus Express and ground based observations, we put constraints on the dynamics of Venus's middle atmosphere.References: [1] Belyaev et al. Icarus 2012 [2] Marcq et al. Nature geoscience, 2013 [3] Marcq et al. JGR:Planets, 2008 [4] Arney et al. JGR:Planets, 2014 [5] Zhang et al. Icarus 2012 [6] Parish et al. Icarus 2012

  5. 2D materials and van der Waals heterostructures.

    PubMed

    Novoselov, K S; Mishchenko, A; Carvalho, A; Castro Neto, A H

    2016-07-29

    The physics of two-dimensional (2D) materials and heterostructures based on such crystals has been developing extremely fast. With these new materials, truly 2D physics has begun to appear (for instance, the absence of long-range order, 2D excitons, commensurate-incommensurate transition, etc.). Novel heterostructure devices--such as tunneling transistors, resonant tunneling diodes, and light-emitting diodes--are also starting to emerge. Composed from individual 2D crystals, such devices use the properties of those materials to create functionalities that are not accessible in other heterostructures. Here we review the properties of novel 2D crystals and examine how their properties are used in new heterostructure devices.

  6. Van der Waals stacked 2D layered materials for optoelectronics

    NASA Astrophysics Data System (ADS)

    Zhang, Wenjing; Wang, Qixing; Chen, Yu; Wang, Zhuo; Wee, Andrew T. S.

    2016-06-01

    The band gaps of many atomically thin 2D layered materials such as graphene, black phosphorus, monolayer semiconducting transition metal dichalcogenides and hBN range from 0 to 6 eV. These isolated atomic planes can be reassembled into hybrid heterostructures made layer by layer in a precisely chosen sequence. Thus, the electronic properties of 2D materials can be engineered by van der Waals stacking, and the interlayer coupling can be tuned, which opens up avenues for creating new material systems with rich functionalities and novel physical properties. Early studies suggest that van der Waals stacked 2D materials work exceptionally well, dramatically enriching the optoelectronics applications of 2D materials. Here we review recent progress in van der Waals stacked 2D materials, and discuss their potential applications in optoelectronics.

  7. Estrogen-Induced Cholestasis Leads to Repressed CYP2D6 Expression in CYP2D6-Humanized Mice

    PubMed Central

    Pan, Xian

    2015-01-01

    Cholestasis activates bile acid receptor farnesoid X receptor (FXR) and subsequently enhances hepatic expression of small heterodimer partner (SHP). We previously demonstrated that SHP represses the transactivation of cytochrome P450 2D6 (CYP2D6) promoter by hepatocyte nuclear factor (HNF) 4α. In this study, we investigated the effects of estrogen-induced cholestasis on CYP2D6 expression. Estrogen-induced cholestasis occurs in subjects receiving estrogen for contraception or hormone replacement, or in susceptible women during pregnancy. In CYP2D6-humanized transgenic (Tg-CYP2D6) mice, cholestasis triggered by administration of 17α-ethinylestradiol (EE2) at a high dose led to 2- to 3-fold decreases in CYP2D6 expression. This was accompanied by increased hepatic SHP expression and subsequent decreases in the recruitment of HNF4α to CYP2D6 promoter. Interestingly, estrogen-induced cholestasis also led to increased recruitment of estrogen receptor (ER) α, but not that of FXR, to Shp promoter, suggesting a predominant role of ERα in transcriptional regulation of SHP in estrogen-induced cholestasis. EE2 at a low dose (that does not cause cholestasis) also increased SHP (by ∼50%) and decreased CYP2D6 expression (by 1.5-fold) in Tg-CYP2D6 mice, the magnitude of differences being much smaller than that shown in EE2-induced cholestasis. Taken together, our data indicate that EE2-induced cholestasis increases SHP and represses CYP2D6 expression in Tg-CYP2D6 mice in part through ERα transactivation of Shp promoter. PMID:25943116

  8. FRANC2D: A two-dimensional crack propagation simulator. Version 2.7: User's guide

    NASA Technical Reports Server (NTRS)

    Wawrzynek, Paul; Ingraffea, Anthony

    1994-01-01

    FRANC 2D (FRacture ANalysis Code, 2 Dimensions) is a menu driven, interactive finite element computer code that performs fracture mechanics analyses of 2-D structures. The code has an automatic mesh generator for triangular and quadrilateral elements. FRANC2D calculates the stress intensity factor using linear elastic fracture mechanics and evaluates crack extension using several methods that may be selected by the user. The code features a mesh refinement and adaptive mesh generation capability that is automatically developed according to the predicted crack extension direction and length. The code also has unique features that permit the analysis of layered structure with load transfer through simulated mechanical fasteners or bonded joints. The code was written for UNIX workstations with X-windows graphics and may be executed on the following computers: DEC DecStation 3000 and 5000 series, IBM RS/6000 series, Hewlitt-Packard 9000/700 series, SUN Sparc stations, and most Silicon Graphics models.

  9. Gravitational Wave Signals from 2D and 3D Core Collapse Supernova Explosions

    NASA Astrophysics Data System (ADS)

    Yakunin, Konstantin; Mezzacappa, Anthony; Marronetti, Pedro; Bruenn, Stephen; Hix, W. Raphael; Lentz, Eric J.; Messer, O. E. Bronson; Harris, J. Austin; Endeve, Eirik; Blondin, John

    2016-03-01

    We study two- and three-dimensional (2D and 3D) core-collapse supernovae (CCSN) using our first-principles CCSN simulations performed with the neutrino hydrodynamics code CHIMERA. The following physics is included: Newtonian hydrodynamics with a nuclear equation of state capable of describing matter in both NSE and non-NSE, MGFLD neutrino transport with realistic neutrino interactions, an effective GR gravitational potential, and a nuclear reaction network. Both our 2D and 3D models achieve explosion, which in turn enables us to determine their complete gravitational wave signals. In this talk, we present them, and we analyze the similarities and differences between the 2D and 3D signals.

  10. Bound states and Cooper pairs of molecules in 2D optical lattices bilayer

    NASA Astrophysics Data System (ADS)

    Camacho-Guardian, A.; Domínguez-Castro, G. A.; Paredes, R.

    2016-08-01

    We investigate the formation of Cooper pairs, bound dimers and the dimer-dimer elastic scattering of ultra- cold dipolar Fermi molecules confined in a 2D optical lattice bilayer configuration. While the energy and their associated bound states are determined in a variational way, the correlated two-molecule pair is addressed as in the original Cooper formulation. We demonstrate that the 2D lattice confinement favors the formation of zero center mass momentum bound states. Regarding the Cooper pairs binding energy, this depends on the molecule populations in each layer. Maximum binding energies occur for non-zero (zero) pair momentum when the Fermi system is polarized (unpolarized). We find an analytic expression for the dimer-dimer effective interaction in the deep BEC regime. The present analysis represents a route for addressing the BCS-BEC crossover superfluidity in dipolar Fermi gases confined in 2D optical lattices within the current experimental panorama.

  11. Targeted fluorescence imaging enhanced by 2D materials: a comparison between 2D MoS2 and graphene oxide.

    PubMed

    Xie, Donghao; Ji, Ding-Kun; Zhang, Yue; Cao, Jun; Zheng, Hu; Liu, Lin; Zang, Yi; Li, Jia; Chen, Guo-Rong; James, Tony D; He, Xiao-Peng

    2016-08-01

    Here we demonstrate that 2D MoS2 can enhance the receptor-targeting and imaging ability of a fluorophore-labelled ligand. The 2D MoS2 has an enhanced working concentration range when compared with graphene oxide, resulting in the improved imaging of both cell and tissue samples.

  12. Construction of 2D atomic crystals on transition metal surfaces: graphene, silicene, and hafnene.

    PubMed

    Pan, Yi; Zhang, Lizhi; Huang, Li; Li, Linfei; Meng, Lei; Gao, Min; Huan, Qing; Lin, Xiao; Wang, Yeliang; Du, Shixuan; Freund, Hans-Joachim; Gao, Hong-Jun

    2014-06-12

    The synthesis and structures of graphene on Ru(0001) and Pt(111), silicene on Ag(111) and Ir(111) and the honeycomb hafnium lattice on Ir(111) are reviewed. Epitaxy on a transition metal (TM) substrate is a pro-mising method to produce a variety of two dimensional (2D) atomic crystals which potentially can be used in next generation electronic devices. This method is particularly valuable in the case of producing 2D materials that do not exist in 3D forms, for instance, silicene. Based on the intensive investigations of epitaxial graphene on TM in recent years, it is known that the quality of graphene is affected by many factors, including the interaction between the 2D material overlayer and the substrate, the lattice mismatch, the nucleation density at the early stage of growth. It is found that these factors also apply to many other epitaxial 2D crystals on TM. The knowledge from the reviewed systems will shine light on the design and synthesis of new 2D crystals with novel properties.

  13. Efficient 2D MRI relaxometry using compressed sensing

    NASA Astrophysics Data System (ADS)

    Bai, Ruiliang; Cloninger, Alexander; Czaja, Wojciech; Basser, Peter J.

    2015-06-01

    Potential applications of 2D relaxation spectrum NMR and MRI to characterize complex water dynamics (e.g., compartmental exchange) in biology and other disciplines have increased in recent years. However, the large amount of data and long MR acquisition times required for conventional 2D MR relaxometry limits its applicability for in vivo preclinical and clinical MRI. We present a new MR pipeline for 2D relaxometry that incorporates compressed sensing (CS) as a means to vastly reduce the amount of 2D relaxation data needed for material and tissue characterization without compromising data quality. Unlike the conventional CS reconstruction in the Fourier space (k-space), the proposed CS algorithm is directly applied onto the Laplace space (the joint 2D relaxation data) without compressing k-space to reduce the amount of data required for 2D relaxation spectra. This framework is validated using synthetic data, with NMR data acquired in a well-characterized urea/water phantom, and on fixed porcine spinal cord tissue. The quality of the CS-reconstructed spectra was comparable to that of the conventional 2D relaxation spectra, as assessed using global correlation, local contrast between peaks, peak amplitude and relaxation parameters, etc. This result brings this important type of contrast closer to being realized in preclinical, clinical, and other applications.

  14. Practical Algorithm For Computing The 2-D Arithmetic Fourier Transform

    NASA Astrophysics Data System (ADS)

    Reed, Irving S.; Choi, Y. Y.; Yu, Xiaoli

    1989-05-01

    Recently, Tufts and Sadasiv [10] exposed a method for computing the coefficients of a Fourier series of a periodic function using the Mobius inversion of series. They called this method of analysis the Arithmetic Fourier Transform(AFT). The advantage of the AFT over the FN 1' is that this method of Fourier analysis needs only addition operations except for multiplications by scale factors at one stage of the computation. The disadvantage of the AFT as they expressed it originally is that it could be used effectively only to compute finite Fourier coefficients of a real even function. To remedy this the AFT developed in [10] is extended in [11] to compute the Fourier coefficients of both the even and odd components of a periodic function. In this paper, the improved AFT [11] is extended to a two-dimensional(2-D) Arithmetic Fourier Transform for calculating the Fourier Transform of two-dimensional discrete signals. This new algorithm is based on both the number-theoretic method of Mobius inversion of double series and the complex conjugate property of Fourier coefficients. The advantage of this algorithm over the conventional 2-D FFT is that the corner-turning problem needed in a conventional 2-D Discrete Fourier Transform(DFT) can be avoided. Therefore, this new 2-D algorithm is readily suitable for VLSI implementation as a parallel architecture. Comparing the operations of 2-D AFT of a MxM 2-D data array with the conventional 2-D FFT, the number of multiplications is significantly reduced from (2log2M)M2 to (9/4)M2. Hence, this new algorithm is faster than the FFT algorithm. Finally, two simulation results of this new 2-D AFT algorithm for 2-D artificial and real images are given in this paper.

  15. 2D electron cyclotron emission imaging at ASDEX Upgrade (invited)

    SciTech Connect

    Classen, I. G. J.; Boom, J. E.; Vries, P. C. de; Suttrop, W.; Schmid, E.; Garcia-Munoz, M.; Schneider, P. A.; Tobias, B.; Domier, C. W.; Luhmann, N. C. Jr.; Donne, A. J. H.; Jaspers, R. J. E.; Park, H. K.; Munsat, T.

    2010-10-15

    The newly installed electron cyclotron emission imaging diagnostic on ASDEX Upgrade provides measurements of the 2D electron temperature dynamics with high spatial and temporal resolution. An overview of the technical and experimental properties of the system is presented. These properties are illustrated by the measurements of the edge localized mode and the reversed shear Alfven eigenmode, showing both the advantage of having a two-dimensional (2D) measurement, as well as some of the limitations of electron cyclotron emission measurements. Furthermore, the application of singular value decomposition as a powerful tool for analyzing and filtering 2D data is presented.

  16. Comparison of 2D and 3D gamma analyses

    SciTech Connect

    Pulliam, Kiley B.; Huang, Jessie Y.; Howell, Rebecca M.; Followill, David; Kry, Stephen F.; Bosca, Ryan; O’Daniel, Jennifer

    2014-02-15

    Purpose: As clinics begin to use 3D metrics for intensity-modulated radiation therapy (IMRT) quality assurance, it must be noted that these metrics will often produce results different from those produced by their 2D counterparts. 3D and 2D gamma analyses would be expected to produce different values, in part because of the different search space available. In the present investigation, the authors compared the results of 2D and 3D gamma analysis (where both datasets were generated in the same manner) for clinical treatment plans. Methods: Fifty IMRT plans were selected from the authors’ clinical database, and recalculated using Monte Carlo. Treatment planning system-calculated (“evaluated dose distributions”) and Monte Carlo-recalculated (“reference dose distributions”) dose distributions were compared using 2D and 3D gamma analysis. This analysis was performed using a variety of dose-difference (5%, 3%, 2%, and 1%) and distance-to-agreement (5, 3, 2, and 1 mm) acceptance criteria, low-dose thresholds (5%, 10%, and 15% of the prescription dose), and data grid sizes (1.0, 1.5, and 3.0 mm). Each comparison was evaluated to determine the average 2D and 3D gamma, lower 95th percentile gamma value, and percentage of pixels passing gamma. Results: The average gamma, lower 95th percentile gamma value, and percentage of passing pixels for each acceptance criterion demonstrated better agreement for 3D than for 2D analysis for every plan comparison. The average difference in the percentage of passing pixels between the 2D and 3D analyses with no low-dose threshold ranged from 0.9% to 2.1%. Similarly, using a low-dose threshold resulted in a difference between the mean 2D and 3D results, ranging from 0.8% to 1.5%. The authors observed no appreciable differences in gamma with changes in the data density (constant difference: 0.8% for 2D vs 3D). Conclusions: The authors found that 3D gamma analysis resulted in up to 2.9% more pixels passing than 2D analysis. It must

  17. Recent advances in 2D materials for photocatalysis.

    PubMed

    Luo, Bin; Liu, Gang; Wang, Lianzhou

    2016-04-01

    Two-dimensional (2D) materials have attracted increasing attention for photocatalytic applications because of their unique thickness dependent physical and chemical properties. This review gives a brief overview of the recent developments concerning the chemical synthesis and structural design of 2D materials at the nanoscale and their applications in photocatalytic areas. In particular, recent progress on the emerging strategies for tailoring 2D material-based photocatalysts to improve their photo-activity including elemental doping, heterostructure design and functional architecture assembly is discussed.

  18. Characterization of core debris/concrete interactions for the Advanced Neutron Source

    SciTech Connect

    Hyman, C.R.; Taleyarkhan, R.P.

    1992-02-01

    This report provides the results of a recent study conducted to explore the molten core/concrete interaction (MCCI) issue for the Advanced Neutron Source (ANS). The need for such a study arises from the potential threats to reactor system integrity posed by MCCI. These threats include direct attack of the concrete basemat of the containment; generation and release of large quantities of gas that can pressurize the containment; the combustion threat of these gases; and the potential generation, release, and transport of radioactive aerosols to the environment.

  19. Electrostatic 2D assembly of bionanoparticles on a cationic lipid monolayer.

    NASA Astrophysics Data System (ADS)

    Kewalramani, Sumit; Wang, Suntao; Fukuto, Masafumi; Yang, Lin; Niu, Zhongwei; Nguyen, Giang; Wang, Qian

    2010-03-01

    We present a grazing-incidence small-angle X-ray scattering (GISAXS) study on 2D assembly of cowpea mosaic virus (CPMV) under a mixed cationic-zwitterionic (DMTAP^+-DMPC) lipid monolayer at the air-water interface. The inter-particle and particle-lipid electrostatic interactions were varied by controlling the subphase pH and the membrane charge density. GISAXS data show that 2D crystals of CPMV are formed above a threshold membrane charge density and only in a narrow pH range just above CPMV's isoelectric point, where the charge on CPMV is expected to be weakly negative. The particle density for the 2D crystals is similar to that for the densest lattice plane in the 3D crystals of CPMV. The results show that the 2D crystallization is achieved in the part of the phase space where the electrostatic interactions are expected to maximize the adsorption of CPMV onto the lipid membrane. This electrostatics-based strategy for controlling interfacial nanoscale assembly should be generally applicable to other nanoparticles.

  20. Alloyed 2D Metal-Semiconductor Atomic Layer Junctions.

    PubMed

    Kim, Ah Ra; Kim, Yonghun; Nam, Jaewook; Chung, Hee-Suk; Kim, Dong Jae; Kwon, Jung-Dae; Park, Sang Won; Park, Jucheol; Choi, Sun Young; Lee, Byoung Hun; Park, Ji Hyeon; Lee, Kyu Hwan; Kim, Dong-Ho; Choi, Sung Mook; Ajayan, Pulickel M; Hahm, Myung Gwan; Cho, Byungjin

    2016-03-01

    Heterostructures of compositionally and electronically variant two-dimensional (2D) atomic layers are viable building blocks for ultrathin optoelectronic devices. We show that the composition of interfacial transition region between semiconducting WSe2 atomic layer channels and metallic NbSe2 contact layers can be engineered through interfacial doping with Nb atoms. WxNb1-xSe2 interfacial regions considerably lower the potential barrier height of the junction, significantly improving the performance of the corresponding WSe2-based field-effect transistor devices. The creation of such alloyed 2D junctions between dissimilar atomic layer domains could be the most important factor in controlling the electronic properties of 2D junctions and the design and fabrication of 2D atomic layer devices.

  1. Emerging and potential opportunities for 2D flexible nanoelectronics

    NASA Astrophysics Data System (ADS)

    Zhu, Weinan; Park, Saungeun; Akinwande, Deji

    2016-05-01

    The last 10 years have seen the emergence of two-dimensional (2D) nanomaterials such as graphene, transition metal dichalcogenides (TMDs), and black phosphorus (BP) among the growing portfolio of layered van der Waals thin films. Graphene, the prototypical 2D material has advanced rapidly in device, circuit and system studies that has resulted in commercial large-area applications. In this work, we provide a perspective of the emerging and potential translational applications of 2D materials including semiconductors, semimetals, and insulators that comprise the basic material set for diverse nanosystems. Applications include RF transceivers, smart systems, the so-called internet of things, and neurotechnology. We will review the DC and RF electronic performance of graphene and BP thin film transistors. 2D materials at sub-um channel length have so far enabled cut-off frequencies from baseband to 100GHz suitable for low-power RF and sub-THz concepts.

  2. 2D hexagonal quaternion Fourier transform in color image processing

    NASA Astrophysics Data System (ADS)

    Grigoryan, Artyom M.; Agaian, Sos S.

    2016-05-01

    In this paper, we present a novel concept of the quaternion discrete Fourier transform on the two-dimensional hexagonal lattice, which we call the two-dimensional hexagonal quaternion discrete Fourier transform (2-D HQDFT). The concept of the right-side 2D HQDFT is described and the left-side 2-D HQDFT is similarly considered. To calculate the transform, the image on the hexagonal lattice is described in the tensor representation when the image is presented by a set of 1-D signals, or splitting-signals which can be separately processed in the frequency domain. The 2-D HQDFT can be calculated by a set of 1-D quaternion discrete Fourier transforms (QDFT) of the splitting-signals.

  3. Technical Review of the UNET2D Hydraulic Model

    SciTech Connect

    Perkins, William A.; Richmond, Marshall C.

    2009-05-18

    The Kansas City District of the US Army Corps of Engineers is engaged in a broad range of river management projects that require knowledge of spatially-varied hydraulic conditions such as velocities and water surface elevations. This information is needed to design new structures, improve existing operations, and assess aquatic habitat. Two-dimensional (2D) depth-averaged numerical hydraulic models are a common tool that can be used to provide velocity and depth information. Kansas City District is currently using a specific 2D model, UNET2D, that has been developed to meet the needs of their river engineering applications. This report documents a tech- nical review of UNET2D.

  4. Double resonance rotational spectroscopy of CH2D+

    NASA Astrophysics Data System (ADS)

    Töpfer, Matthias; Jusko, Pavol; Schlemmer, Stephan; Asvany, Oskar

    2016-09-01

    Context. Deuterated forms of CH are thought to be responsible for deuterium enrichment in lukewarm astronomical environments. There is no unambiguous detection of CH2D+ in space to date. Aims: Four submillimetre rotational lines of CH2D+ are documented in the literature. Our aim is to present a complete dataset of highly resolved rotational lines, including millimetre (mm) lines needed for a potential detection. Methods: We used a low-temperature ion trap and applied a novel IR-mm-wave double resonance method to measure the rotational lines of CH2D+. Results: We measured 21 low-lying (J ≤ 4) rotational transitions of CH2D+ between 23 GHz and 1.1 THz with accuracies close to 2 ppb.

  5. Alloyed 2D Metal-Semiconductor Atomic Layer Junctions.

    PubMed

    Kim, Ah Ra; Kim, Yonghun; Nam, Jaewook; Chung, Hee-Suk; Kim, Dong Jae; Kwon, Jung-Dae; Park, Sang Won; Park, Jucheol; Choi, Sun Young; Lee, Byoung Hun; Park, Ji Hyeon; Lee, Kyu Hwan; Kim, Dong-Ho; Choi, Sung Mook; Ajayan, Pulickel M; Hahm, Myung Gwan; Cho, Byungjin

    2016-03-01

    Heterostructures of compositionally and electronically variant two-dimensional (2D) atomic layers are viable building blocks for ultrathin optoelectronic devices. We show that the composition of interfacial transition region between semiconducting WSe2 atomic layer channels and metallic NbSe2 contact layers can be engineered through interfacial doping with Nb atoms. WxNb1-xSe2 interfacial regions considerably lower the potential barrier height of the junction, significantly improving the performance of the corresponding WSe2-based field-effect transistor devices. The creation of such alloyed 2D junctions between dissimilar atomic layer domains could be the most important factor in controlling the electronic properties of 2D junctions and the design and fabrication of 2D atomic layer devices. PMID:26839956

  6. CoPc 2D and 1D Arrangement on a Ferromagnetic Surface.

    PubMed

    Annese, Emilia; ViolBarbosa, Carlos E; Rossi, Giorgio; Fujii, Jun

    2016-05-31

    We investigated the growth and electronic properties of Co-phthalocyanine (CoPc) molecule deposited on iron film with different structures (pseudomorph-fcc and bcc) and on iron nanowires by scanning tunnelling microscopy and X-ray absorption spectroscopy (XAS). CoPc molecules self-assemble in a two-dimensional (2D) arrangement with the molecular plane parallel to the iron surfaces, and the local order is lost after the first layer. The molecule-ferromagnet interaction causes the broadening of Co and N unoccupied molecular states as well as different electronic distribution of N states as a function of the atomic structure of iron surface. The ferromagnetic coupling between the molecule and the iron film is dominated by the electronic interaction between Co and the first Fe layer. CoPc 2D arrangement turns into 1D by using as a template the iron nanowire grown on a facet surface of oxidized Cu(332) surface. CoPc molecules interact weakly with the iron nanowires manifesting a substantial Co 3dz spectral feature in XAS spectrum and the possibility of a magnetic interaction between Co moment and iron nanowires. Both CoPc 2D and 1D arrangements can open up new interesting scenarios to tune the magnetic properties of hybrid interfaces involving metallorganic molecules. PMID:27191039

  7. Phylogenetic tree construction based on 2D graphical representation

    NASA Astrophysics Data System (ADS)

    Liao, Bo; Shan, Xinzhou; Zhu, Wen; Li, Renfa

    2006-04-01

    A new approach based on the two-dimensional (2D) graphical representation of the whole genome sequence [Bo Liao, Chem. Phys. Lett., 401(2005) 196.] is proposed to analyze the phylogenetic relationships of genomes. The evolutionary distances are obtained through measuring the differences among the 2D curves. The fuzzy theory is used to construct phylogenetic tree. The phylogenetic relationships of H5N1 avian influenza virus illustrate the utility of our approach.

  8. Generating a 2D Representation of a Complex Data Structure

    NASA Technical Reports Server (NTRS)

    James, Mark

    2006-01-01

    A computer program, designed to assist in the development and debugging of other software, generates a two-dimensional (2D) representation of a possibly complex n-dimensional (where n is an integer >2) data structure or abstract rank-n object in that other software. The nature of the 2D representation is such that it can be displayed on a non-graphical output device and distributed by non-graphical means.

  9. Anisotropic 2D Materials for Tunable Hyperbolic Plasmonics.

    PubMed

    Nemilentsau, Andrei; Low, Tony; Hanson, George

    2016-02-12

    Motivated by the recent emergence of a new class of anisotropic 2D materials, we examine their electromagnetic modes and demonstrate that a broad class of the materials can host highly directional hyperbolic plasmons. Their propagation direction can be manipulated on the spot by gate doping, enabling hyperbolic beam reflection, refraction, and bending. The realization of these natural 2D hyperbolic media opens up a new avenue in dynamic control of hyperbolic plasmons not possible in the 3D version.

  10. QUENCH2D. Two-Dimensional IHCP Code

    SciTech Connect

    Osman, A.; Beck, J.V.

    1995-01-01

    QUENCH2D* is developed for the solution of general, non-linear, two-dimensional inverse heat transfer problems. This program provides estimates for the surface heat flux distribution and/or heat transfer coefficient as a function of time and space by using transient temperature measurements at appropriate interior points inside the quenched body. Two-dimensional planar and axisymmetric geometries such as turnbine disks and blades, clutch packs, and many other problems can be analyzed using QUENCH2D*.

  11. INVITED ARTICLE: Towards dense, realistic granular media in 2D

    NASA Astrophysics Data System (ADS)

    Luding, Stefan

    2009-12-01

    The development of an applicable theory for granular matter—with both qualitative and quantitative value—is a challenging prospect, given the multitude of states, phases and (industrial) situations it has to cover. Given the general balance equations for mass, momentum and energy, the limiting case of dilute and almost elastic granular gases, where kinetic theory works perfectly well, is the starting point. In most systems, low density co-exists with very high density, where the latter is an open problem for kinetic theory. Furthermore, many additional nonlinear phenomena and material properties are important in realistic granular media, involving, e.g.: (i) multi-particle interactions and elasticity (ii) strong dissipation, (iii) friction, (iv) long-range forces and wet contacts, (v) wide particle size distributions and (vi) various particle shapes. Note that, while some of these issues are more relevant for high density, others are important for both low and high densities; some of them can be dealt with by means of kinetic theory, some cannot. This paper is a review of recent progress towards more realistic models for dense granular media in 2D, even though most of the observations, conclusions and corrections given are qualitatively true also in 3D. Starting from an elastic, frictionless and monodisperse hard sphere gas, the (continuum) balance equations of mass, momentum and energy are given. The equation of state, the (Navier-Stokes level) transport coefficients and the energy-density dissipation rate are considered. Several corrections are applied to those constitutive material laws—one by one—in order to account for the realistic physical effects and properties listed above.

  12. Simulating MEMS Chevron Actuator for Strain Engineering 2D Materials

    NASA Astrophysics Data System (ADS)

    Vutukuru, Mounika; Christopher, Jason; Bishop, David; Swan, Anna

    2D materials pose an exciting paradigm shift in the world of electronics. These crystalline materials have demonstrated high electric and thermal conductivities and tensile strength, showing great potential as the new building blocks of basic electronic circuits. However, strain engineering 2D materials for novel devices remains a difficult experimental feat. We propose the integration of 2D materials with MEMS devices to investigate the strain dependence on material properties such as electrical and thermal conductivity, refractive index, mechanical elasticity, and band gap. MEMS Chevron actuators, provides the most accessible framework to study strain in 2D materials due to their high output force displacements for low input power. Here, we simulate Chevron actuators on COMSOL to optimize actuator design parameters and accurately capture the behavior of the devices while under the external force of a 2D material. Through stationary state analysis, we analyze the response of the device through IV characteristics, displacement and temperature curves. We conclude that the simulation precisely models the real-world device through experimental confirmation, proving that the integration of 2D materials with MEMS is a viable option for constructing novel strain engineered devices. The authors acknowledge support from NSF DMR1411008.

  13. Latent heat induced rotation limited aggregation in 2D ice nanocrystals.

    PubMed

    Bampoulis, Pantelis; Siekman, Martin H; Kooij, E Stefan; Lohse, Detlef; Zandvliet, Harold J W; Poelsema, Bene

    2015-07-21

    The basic science responsible for the fascinating shapes of ice crystals and snowflakes is still not understood. Insufficient knowledge of the interaction potentials and the lack of relevant experimental access to the growth process are to blame for this failure. Here, we study the growth of fractal nanostructures in a two-dimensional (2D) system, intercalated between mica and graphene. Based on our scanning tunneling spectroscopy data, we provide compelling evidence that these fractals are 2D ice. They grow while they are in material contact with the atmosphere at 20 °C and without significant thermal contact to the ambient. The growth is studied in situ, in real time and space at the nanoscale. We find that the growing 2D ice nanocrystals assume a fractal shape, which is conventionally attributed to Diffusion Limited Aggregation (DLA). However, DLA requires a low mass density mother phase, in contrast to the actual currently present high mass density mother phase. Latent heat effects and consequent transport of heat and molecules are found to be key ingredients for understanding the evolution of the snow (ice) flakes. We conclude that not the local availability of water molecules (DLA), but rather them having the locally required orientation is the key factor for incorporation into the 2D ice nanocrystal. In combination with the transport of latent heat, we attribute the evolution of fractal 2D ice nanocrystals to local temperature dependent rotation limited aggregation. The ice growth occurs under extreme supersaturation, i.e., the conditions closely resemble the natural ones for the growth of complex 2D snow (ice) flakes and we consider our findings crucial for solving the "perennial" snow (ice) flake enigma. PMID:26203037

  14. 2D Hybrid Nanostructure of Reduced Graphene Oxide-CdS Nanosheet for Enhanced Photocatalysis.

    PubMed

    Bera, Rajesh; Kundu, Simanta; Patra, Amitava

    2015-06-24

    Graphene-based hybrid nanostructures have recently emerged as a new class of functional materials for light-energy conversion and storage. Here, we have synthesized reduced graphene oxide (RGO)-semiconductor composites to improve the efficiency of photocatalysis. Zero-dimensional CdS nanoparticles (0D), one-dimensional CdS nanorods (1D), and two-dimensional CdS nanosheets (2D) are grafted on the RGO sheet (2D) by a surface modification method using 4-aminothiophenol (4-ATP). Structural analysis confirms the attachment of CdS nanocrystals with RGO, and the strong electronic interaction is found in the case of a CdS nanosheet and RGO, which has an influence on photocatalytic properties. The degradation of dye under visible light varies with changing the dimension of nanocrystals, and the catalytic activity of the CdS NS/RGO composite is ∼4 times higher than that of CdS nanoparticle/RGO and 3.4 times higher than that of CdS nanorod/RGO composite samples. The catalytic activity of the CdS nanosheet/RGO composite is also found to be ∼2.5 times than that of pure CdS nanosheet samples. The unique 2D-2D nanoarchitecture would be effective to harvest photons from solar light and transport electrons to reaction sites with respect to other 0D-2D and 1D-2D hybrid systems. This observation can be extended to other graphene-based inorganic semiconductor composites, which can provide a valuable opportunity to explore novel hybrid materials with superior visible-light-induced catalytic activity.

  15. Latent heat induced rotation limited aggregation in 2D ice nanocrystals

    NASA Astrophysics Data System (ADS)

    Bampoulis, Pantelis; Siekman, Martin H.; Kooij, E. Stefan; Lohse, Detlef; Zandvliet, Harold J. W.; Poelsema, Bene

    2015-07-01

    The basic science responsible for the fascinating shapes of ice crystals and snowflakes is still not understood. Insufficient knowledge of the interaction potentials and the lack of relevant experimental access to the growth process are to blame for this failure. Here, we study the growth of fractal nanostructures in a two-dimensional (2D) system, intercalated between mica and graphene. Based on our scanning tunneling spectroscopy data, we provide compelling evidence that these fractals are 2D ice. They grow while they are in material contact with the atmosphere at 20 °C and without significant thermal contact to the ambient. The growth is studied in situ, in real time and space at the nanoscale. We find that the growing 2D ice nanocrystals assume a fractal shape, which is conventionally attributed to Diffusion Limited Aggregation (DLA). However, DLA requires a low mass density mother phase, in contrast to the actual currently present high mass density mother phase. Latent heat effects and consequent transport of heat and molecules are found to be key ingredients for understanding the evolution of the snow (ice) flakes. We conclude that not the local availability of water molecules (DLA), but rather them having the locally required orientation is the key factor for incorporation into the 2D ice nanocrystal. In combination with the transport of latent heat, we attribute the evolution of fractal 2D ice nanocrystals to local temperature dependent rotation limited aggregation. The ice growth occurs under extreme supersaturation, i.e., the conditions closely resemble the natural ones for the growth of complex 2D snow (ice) flakes and we consider our findings crucial for solving the "perennial" snow (ice) flake enigma.

  16. Thermal Conductivity and Thermopower near the 2D Metal-Insulator transition, Final Technical Report

    SciTech Connect

    SARACHIK, MYRIAM P

    2015-02-20

    STUDIES OF STRONGLY-INTERACTING 2D ELECTRON SYSTEMS – There is a great deal of current interest in the properties of systems in which the interaction between electrons (their potential energy) is large compared to their kinetic energy. We have investigated an apparent, unexpected metal-insulator transition inferred from the behavior of the temperature-dependence of the resistivity; moreover, detailed analysis of the behavior of the magnetoresistance suggests that the electrons’ effective mass diverges, supporting this scenario. Whether this is a true phase transition or crossover behavior has been strenuously debated over the past 20 years. Our measurements have now shown that the thermoelectric power of these 2D materials diverges at a finite density, providing clear evidence that this is, in fact, a phase transition to a new low-density phase which may be a precursor or a direct transition to the long sought-after electronic crystal predicted by Eugene Wigner in 1934.

  17. Use of the 'Precessions' process for prepolishing and correcting 2D & 2(1/2)D form.

    PubMed

    Walker, David D; Freeman, Richard; Morton, Roger; McCavana, Gerry; Beaucamp, Anthony

    2006-11-27

    The Precessions process polishes complex surfaces from the ground state preserving the ground-in form, and subsequently rectifies measured form errors. Our first paper introduced the technology and focused on the novel tooling. In this paper we describe the unique CNC machine tools and how they operate in polishing and correcting form. Experimental results demonstrate both the '2D' and '2(1/2)D' form-correction modes, as applied to aspheres with rotationally-symmetric target-form.

  18. Simulation of multi-steps thermal transition in 2D spin-crossover nanoparticles

    NASA Astrophysics Data System (ADS)

    Jureschi, Catalin-Maricel; Pottier, Benjamin-Louis; Linares, Jorge; Richard Dahoo, Pierre; Alayli, Yasser; Rotaru, Aurelian

    2016-04-01

    We have used an Ising like model to study the thermal behavior of a 2D spin crossover (SCO) system embedded in a matrix. The interaction parameter between edge SCO molecules and its local environment was included in the standard Ising like model as an additional term. The influence of the system's size and the ratio between the number of edge molecules and the other molecules were also discussed.

  19. Atomistic methodologies for material properties of 2D materials at the nanoscale

    NASA Astrophysics Data System (ADS)

    Zhang, Zhen

    Research on two dimensional (2D) materials, such as graphene and MoS2, now involves thousands of researchers worldwide cutting across physics, chemistry, engineering and biology. Due to the extraordinary properties of 2D materials, research extends from fundamental science to novel applications of 2D materials. From an engineering point of view, understanding the material properties of 2D materials under various conditions is crucial for tailoring the electrical and mechanical properties of 2D-material-based devices at the nanoscale. Even at the nanoscale, molecular systems typically consist of a vast number of atoms. Molecular dynamics (MD) simulations enable us to understand the properties of assemblies of molecules in terms of their structure and the microscopic interactions between them. From a continuum approach, mechanical properties and thermal properties, such as strain, stress, and heat capacity, are well defined and experimentally measurable. In MD simulations, material systems are considered to be discrete, and only interatomic potential, interatomic forces, and atom positions are directly obtainable. Besides, most of the fracture mechanics concepts, such as stress intensity factors, are not applicable since there is no singularity in MD simulations. However, energy release rate still remains to be a feasible and crucial physical quantity to characterize the fracture mechanical property of materials at the nanoscale. Therefore, equivalent definition of a physical quantity both in atomic scale and macroscopic scale is necessary in order to understand molecular and continuum scale phenomena concurrently. This work introduces atomistic simulation methodologies, based on interatomic potential and interatomic forces, as a tool to unveil the mechanical properties, thermal properties and fracture mechanical properties of 2D materials at the nanoscale. Among many 2D materials, graphene and MoS2 have attracted intense interest. Therefore, we applied our

  20. Designing 2D arrays for SHM of planar structures: a review

    NASA Astrophysics Data System (ADS)

    Stepinski, Tadeusz; Ambrozinski, Lukasz; Uhl, Tadeusz

    2013-04-01

    Monitoring structural integrity of large planar structures that aims at detecting and localizing impact or damage at any point of the structure requires normally a relatively dense network of uniformly distributed ultrasonic sensors. 2-D ultrasonic phased arrays, due to their beam-steering capability and all azimuth angle coverage are a very promising tool for structural health monitoring (SHM) of plate-like structures using Lamb waves (LW). Linear phased arrays that have been proposed for that purpose, produce mirrored image characterized by azimuth dependent resolution, which prevents unequivocal damage localization. 2D arrays do not have this drawback and they are even capable of mode selectivity when generating and receiving LWs. Performance of 2D arrays depends on their topology as well as the number of elements (transducers) used and their spacing in terms of wavelength. In this paper we propose a consistent methodology for three-step: theoretical, numerical and experimental investigation of a diversity of 2D array topologies in SHM applications. In the first step, the theoretical evaluation is performed using frequency-dependent structure transfer function (STF). STF that defines linear propagation of different LWs modes through the dispersive medium enables theoretical investigation of the particular array performance for a predefined tone-burst excitation signal. A dedicated software tool has been developed for the numerical evaluation of 2D array directional characteristics (beampattern) in a specific structure. The simulations are performed using local interaction simulation approach (LISA), implemented using NVIDIA CUDA graphical computation unit (GPU), which enables time-efficient 3D simulations of LWs propagation. Beampatterns of a 2D array can be to some extend evaluated analytically and using numerical simulations; in most cases, however, they require experimental verification. Using scanning laser vibrometer is proposed for that purpose, in a setup

  1. 2D nanostructures for water purification: graphene and beyond.

    PubMed

    Dervin, Saoirse; Dionysiou, Dionysios D; Pillai, Suresh C

    2016-08-18

    Owing to their atomically thin structure, large surface area and mechanical strength, 2D nanoporous materials are considered to be suitable alternatives for existing desalination and water purification membrane materials. Recent progress in the development of nanoporous graphene based materials has generated enormous potential for water purification technologies. Progress in the development of nanoporous graphene and graphene oxide (GO) membranes, the mechanism of graphene molecular sieve action, structural design, hydrophilic nature, mechanical strength and antifouling properties and the principal challenges associated with nanopore generation are discussed in detail. Subsequently, the recent applications and performance of newly developed 2D materials such as 2D boron nitride (BN) nanosheets, graphyne, molybdenum disulfide (MoS2), tungsten chalcogenides (WS2) and titanium carbide (Ti3C2Tx) are highlighted. In addition, the challenges affecting 2D nanostructures for water purification are highlighted and their applications in the water purification industry are discussed. Though only a few 2D materials have been explored so far for water treatment applications, this emerging field of research is set to attract a great deal of attention in the near future.

  2. Ultrafast 2D-IR spectroelectrochemistry of flavin mononucleotide

    NASA Astrophysics Data System (ADS)

    El Khoury, Youssef; Van Wilderen, Luuk J. G. W.; Bredenbeck, Jens

    2015-06-01

    We demonstrate the coupling of ultrafast two-dimensional infrared (2D-IR) spectroscopy to electrochemistry in solution and apply it to flavin mononucleotide, an important cofactor of redox proteins. For this purpose, we designed a spectroelectrochemical cell optimized for 2D-IR measurements in reflection and measured the time-dependent 2D-IR spectra of the oxidized and reduced forms of flavin mononucleotide. The data show anharmonic coupling and vibrational energy transfer between different vibrational modes in the two redox species. Such information is inaccessible with redox-controlled steady-state FTIR spectroscopy. The wide range of applications offered by 2D-IR spectroscopy, such as sub-picosecond structure determination, IR band assignment via energy transfer, disentangling reaction mixtures through band connectivity in the 2D spectra, and the measurement of solvation dynamics and chemical exchange can now be explored under controlled redox potential. The development of this technique furthermore opens new horizons for studying the dynamics of redox proteins.

  3. Ultrafast 2D-IR spectroelectrochemistry of flavin mononucleotide.

    PubMed

    El Khoury, Youssef; Van Wilderen, Luuk J G W; Bredenbeck, Jens

    2015-06-01

    We demonstrate the coupling of ultrafast two-dimensional infrared (2D-IR) spectroscopy to electrochemistry in solution and apply it to flavin mononucleotide, an important cofactor of redox proteins. For this purpose, we designed a spectroelectrochemical cell optimized for 2D-IR measurements in reflection and measured the time-dependent 2D-IR spectra of the oxidized and reduced forms of flavin mononucleotide. The data show anharmonic coupling and vibrational energy transfer between different vibrational modes in the two redox species. Such information is inaccessible with redox-controlled steady-state FTIR spectroscopy. The wide range of applications offered by 2D-IR spectroscopy, such as sub-picosecond structure determination, IR band assignment via energy transfer, disentangling reaction mixtures through band connectivity in the 2D spectra, and the measurement of solvation dynamics and chemical exchange can now be explored under controlled redox potential. The development of this technique furthermore opens new horizons for studying the dynamics of redox proteins.

  4. Mean flow and anisotropic cascades in decaying 2D turbulence

    NASA Astrophysics Data System (ADS)

    Liu, Chien-Chia; Cerbus, Rory; Gioia, Gustavo; Chakraborty, Pinaki

    2015-11-01

    Many large-scale atmospheric and oceanic flows are decaying 2D turbulent flows embedded in a non-uniform mean flow. Despite its importance for large-scale weather systems, the affect of non-uniform mean flows on decaying 2D turbulence remains unknown. In the absence of mean flow it is well known that decaying 2D turbulent flows exhibit the enstrophy cascade. More generally, for any 2D turbulent flow, all computational, experimental and field data amassed to date indicate that the spectrum of longitudinal and transverse velocity fluctuations correspond to the same cascade, signifying isotropy of cascades. Here we report experiments on decaying 2D turbulence in soap films with a non-uniform mean flow. We find that the flow transitions from the usual isotropic enstrophy cascade to a series of unusual and, to our knowledge, never before observed or predicted, anisotropic cascades where the longitudinal and transverse spectra are mutually independent. We discuss implications of our results for decaying geophysical turbulence.

  5. Sparse radar imaging using 2D compressed sensing

    NASA Astrophysics Data System (ADS)

    Hou, Qingkai; Liu, Yang; Chen, Zengping; Su, Shaoying

    2014-10-01

    Radar imaging is an ill-posed linear inverse problem and compressed sensing (CS) has been proved to have tremendous potential in this field. This paper surveys the theory of radar imaging and a conclusion is drawn that the processing of ISAR imaging can be denoted mathematically as a problem of 2D sparse decomposition. Based on CS, we propose a novel measuring strategy for ISAR imaging radar and utilize random sub-sampling in both range and azimuth dimensions, which will reduce the amount of sampling data tremendously. In order to handle 2D reconstructing problem, the ordinary solution is converting the 2D problem into 1D by Kronecker product, which will increase the size of dictionary and computational cost sharply. In this paper, we introduce the 2D-SL0 algorithm into the reconstruction of imaging. It is proved that 2D-SL0 can achieve equivalent result as other 1D reconstructing methods, but the computational complexity and memory usage is reduced significantly. Moreover, we will state the results of simulating experiments and prove the effectiveness and feasibility of our method.

  6. Ultrafast 2D NMR: an emerging tool in analytical spectroscopy.

    PubMed

    Giraudeau, Patrick; Frydman, Lucio

    2014-01-01

    Two-dimensional nuclear magnetic resonance (2D NMR) spectroscopy is widely used in chemical and biochemical analyses. Multidimensional NMR is also witnessing increased use in quantitative and metabolic screening applications. Conventional 2D NMR experiments, however, are affected by inherently long acquisition durations, arising from their need to sample the frequencies involved along their indirect domains in an incremented, scan-by-scan nature. A decade ago, a so-called ultrafast (UF) approach was proposed, capable of delivering arbitrary 2D NMR spectra involving any kind of homo- or heteronuclear correlation, in a single scan. During the intervening years, the performance of this subsecond 2D NMR methodology has been greatly improved, and UF 2D NMR is rapidly becoming a powerful analytical tool experiencing an expanded scope of applications. This review summarizes the principles and main developments that have contributed to the success of this approach and focuses on applications that have been recently demonstrated in various areas of analytical chemistry--from the real-time monitoring of chemical and biochemical processes, to extensions in hyphenated techniques and in quantitative applications. PMID:25014342

  7. 2D nanostructures for water purification: graphene and beyond.

    PubMed

    Dervin, Saoirse; Dionysiou, Dionysios D; Pillai, Suresh C

    2016-08-18

    Owing to their atomically thin structure, large surface area and mechanical strength, 2D nanoporous materials are considered to be suitable alternatives for existing desalination and water purification membrane materials. Recent progress in the development of nanoporous graphene based materials has generated enormous potential for water purification technologies. Progress in the development of nanoporous graphene and graphene oxide (GO) membranes, the mechanism of graphene molecular sieve action, structural design, hydrophilic nature, mechanical strength and antifouling properties and the principal challenges associated with nanopore generation are discussed in detail. Subsequently, the recent applications and performance of newly developed 2D materials such as 2D boron nitride (BN) nanosheets, graphyne, molybdenum disulfide (MoS2), tungsten chalcogenides (WS2) and titanium carbide (Ti3C2Tx) are highlighted. In addition, the challenges affecting 2D nanostructures for water purification are highlighted and their applications in the water purification industry are discussed. Though only a few 2D materials have been explored so far for water treatment applications, this emerging field of research is set to attract a great deal of attention in the near future. PMID:27506268

  8. General Purpose 2D and 3D Similarity Approach to Identify hERG Blockers.

    PubMed

    Schyman, Patric; Liu, Ruifeng; Wallqvist, Anders

    2016-01-25

    Screening compounds for human ether-à-go-go-related gene (hERG) channel inhibition is an important component of early stage drug development and assessment. In this study, we developed a high-confidence (p-value < 0.01) hERG prediction model based on a combined two-dimensional (2D) and three-dimensional (3D) modeling approach. We developed a 3D similarity conformation approach (SCA) based on examining a limited fixed number of pairwise 3D similarity scores between a query molecule and a set of known hERG blockers. By combining 3D SCA with 2D similarity ensemble approach (SEA) methods, we achieved a maximum sensitivity in hERG inhibition prediction with an accuracy not achieved by either method separately. The combined model achieved 69% sensitivity and 95% specificity on an independent external data set. Further validation showed that the model correctly picked up documented hERG inhibition or interactions among the Food and Drug Administration- approved drugs with the highest similarity scores-with 18 of 20 correctly identified. The combination of ascertaining 2D and 3D similarity of compounds allowed us to synergistically use 2D fingerprint matching with 3D shape and chemical complementarity matching. PMID:26718126

  9. A study of a sector spectrophotometer and auroral O+(2P-2D) emissions

    NASA Technical Reports Server (NTRS)

    Swenson, G. R.

    1976-01-01

    The metastable O+(2P-2D) auroral emission was investigated. The neighboring OH contaminants and low intensity levels of the emission itself necessitated the evolution of an instrument capable of separating the emission from the contaminants and having a high sensitivity in the wavelength region of interest. A new type of scanning photometer was developed and its properties are discussed. The theoretical aspects of auroral electron interaction with atomic oxygen and the resultant O+(2P-2D) emissions were examined in conjunction with N2(+)1NEG emissions. Ground based measurements of O+(2P-2D) auroral emission intensities were made using the spatial scanning photometer (sector spectrophotometer). Simultaneous measurements of N2(+)1NEG sub 1,0 emission intensity were made in the same field of view using a tilting photometer. Time histories of the ratio of these two emissions made in the magnetic zenith during auroral breakup periods are given. Theories of I sub 7319/I sub 4278 of previous investigators were presented. A rocket measurement of N2(+)1NEG sub 0,0 and O+(2P-2D) emission in aurora was examined in detail and was found to agree with the ground based measurements. Theoretical examination resulted in the deduction of the electron impact efficiency generating O+(2P) and also suggests a large source of O+(2P) at low altitude. A possible source is charge exchange of N+(1S) with OI(3P).

  10. The influence of pressure on the structure of a 2D uranium(VI) carboxyphosphonoate compound

    SciTech Connect

    Spencer, Elinor C.; Ross, Nancy L.; Surbella, Robert G.; Cahill, Christopher L.

    2014-10-15

    We report the first quantitative analysis of the structural evolution of a uranyl bearing coordination polymer in response to pressure. The material that is central to this study, (UO{sub 2})(O{sub 3}PCH{sub 2}CO{sub 2}H) (1), is constructed from rigid 2D inorganic layers comprising edge sharing UO{sub 7} pentagonal bipyramids cross-linked by [PO{sub 3}(COOH)]{sup 2−} anions. Strong hydrogen bonding interactions exist between the pendent carboxylic acid groups on adjacent layers. Under pressure, 1 exhibits compressional behaviour primarily in the direction perpendicular to the inorganic layers, which is aided by a reduction in the interlayer distance and shifting of the layers with respect to each other. The bulk modulus for the 2D compound 1 is unexpectedly high [18.1(1) GPa] and is within the range reported for 3D CPs assembled from Zn{sup II} cations and inflexible imidazolate anions, and is at the lower end of the range of moduli observed for aluminosilicate zeolites (19–59 GPa). - Graphical Abstract: The compression mechanism and elastic constants for a 2D Uranium(VI) carboxyphosphonoate compound are reported. - Highlights: • The response to pressure of a uranium carboxyphosphonoate compound has been studied. • High-pressure single-crystal XRD data for this 2D uranium compound were collected. • Elastic constants for this material have been determined. • The compression mechanism for the compound has been elucidated.

  11. General Purpose 2D and 3D Similarity Approach to Identify hERG Blockers.

    PubMed

    Schyman, Patric; Liu, Ruifeng; Wallqvist, Anders

    2016-01-25

    Screening compounds for human ether-à-go-go-related gene (hERG) channel inhibition is an important component of early stage drug development and assessment. In this study, we developed a high-confidence (p-value < 0.01) hERG prediction model based on a combined two-dimensional (2D) and three-dimensional (3D) modeling approach. We developed a 3D similarity conformation approach (SCA) based on examining a limited fixed number of pairwise 3D similarity scores between a query molecule and a set of known hERG blockers. By combining 3D SCA with 2D similarity ensemble approach (SEA) methods, we achieved a maximum sensitivity in hERG inhibition prediction with an accuracy not achieved by either method separately. The combined model achieved 69% sensitivity and 95% specificity on an independent external data set. Further validation showed that the model correctly picked up documented hERG inhibition or interactions among the Food and Drug Administration- approved drugs with the highest similarity scores-with 18 of 20 correctly identified. The combination of ascertaining 2D and 3D similarity of compounds allowed us to synergistically use 2D fingerprint matching with 3D shape and chemical complementarity matching.

  12. Responsive ionic liquid-polymer 2D photonic crystal gas sensors.

    PubMed

    Smith, Natasha L; Hong, Zhenmin; Asher, Sanford A

    2014-12-21

    We developed novel air-stable 2D polymerized photonic crystal (2DPC) sensing materials for visual detection of gas phase analytes such as water and ammonia by utilizing a new ionic liquid, ethylguanidine perchlorate (EGP) as the mobile phase. Because of the negligible ionic liquid vapor pressure these 2DPC sensors are indefinitely air stable and, therefore, can be used to sense atmospheric analytes. 2D arrays of ~640 nm polystyrene nanospheres were attached to the surface of crosslinked poly(hydroxyethyl methacrylate) (pHEMA)-based polymer networks dispersed in EGP. The wavelength of the bright 2D photonic crystal diffraction depends sensitively on the 2D array particle spacing. The volume phase transition response of the EGP-pHEMA system to water vapor or gaseous ammonia changes the 2DPC particle spacing, enabling the visual determination of the analyte concentration. Water absorbed by EGP increases the Flory-Huggins interaction parameter, which shrinks the polymer network and causes a blue shift in the diffracted light. Ammonia absorbed by the EGP deprotonates the pHEMA-co-acrylic acid carboxyl groups, swelling the polymer which red shifts the diffracted light.

  13. Inspection design using 2D phased array, TFM and cueMAP software

    SciTech Connect

    McGilp, Ailidh; Dziewierz, Jerzy; Lardner, Tim; Mackersie, John; Gachagan, Anthony

    2014-02-18

    A simulation suite, cueMAP, has been developed to facilitate the design of inspection processes and sparse 2D array configurations. At the core of cueMAP is a Total Focusing Method (TFM) imaging algorithm that enables computer assisted design of ultrasonic inspection scenarios, including the design of bespoke array configurations to match the inspection criteria. This in-house developed TFM code allows for interactive evaluation of image quality indicators of ultrasonic imaging performance when utilizing a 2D phased array working in FMC/TFM mode. The cueMAP software uses a series of TFM images to build a map of resolution, contrast and sensitivity of imaging performance of a simulated reflector, swept across the inspection volume. The software takes into account probe properties, wedge or water standoff, and effects of specimen curvature. In the validation process of this new software package, two 2D arrays have been evaluated on 304n stainless steel samples, typical of the primary circuit in nuclear plants. Thick section samples have been inspected using a 1MHz 2D matrix array. Due to the processing efficiency of the software, the data collected from these array configurations has been used to investigate the influence sub-aperture operation on inspection performance.

  14. Experimental studies of spin-imbalanced Fermi gases in 2D geometries

    NASA Astrophysics Data System (ADS)

    Thomas, John

    We study the thermodynamics of a quasi-two-dimensional Fermi gas, which is not quite two-dimensional (2D), but far from three dimensional (3D). This system offers opportunities to test predictions that cross interdisciplinary boundaries, such as enhanced superfluid transition temperatures in spin-imbalanced quasi-2D superconductors, and provides important benchmarks for calculations of the phase diagrams. In the experiments, an ultra-cold Fermi gas is confined in an infrared CO2 laser standing-wave, which produces periodic pancake-shaped potential wells, separated by 5.3 μm. To study the thermodynamics, we load an ultra-cold mixture of N1 = 800 spin 1/2 -up and N2 interaction strength and spin imbalance N2/N1. The measured properties are in disagreement with 2D-BCS theory, but can be fit by a 2D-polaron gas model, where each atom is surrounded by a cloud of particle-hole pairs of the opposite spin. However, this model fails to predict a transition to a spin-balanced central region as N2/N1is increased. Supported by the physics divisions of ARO, AFOSR, and NSF and by the Division of Materials Science and Engineering, the Office of Basic Energy Sciences, DOE.

  15. Roton Excitations and the Fluid-Solid Phase Transition in Superfluid 2D Yukawa Bosons

    NASA Astrophysics Data System (ADS)

    Molinelli, S.; Galli, D. E.; Reatto, L.; Motta, M.

    2016-10-01

    We compute several ground-state properties and the dynamical structure factor of a zero-temperature system of Bosons interacting with the 2D screened Coulomb (2D-SC) potential. We resort to the exact shadow path integral ground state (SPIGS) quantum Monte Carlo method to compute the imaginary-time correlation function of the model, and to the genetic algorithm via falsification of theories (GIFT) to retrieve the dynamical structure factor. We provide a detailed comparison of ground-state properties and collective excitations of 2D-SC and ^4He atoms. The roton energy of the 2D-SC system is an increasing function of density, and not a decreasing one as in ^4He. This result is in contrast with the view that the roton is the soft mode of the fluid-solid transition. We uncover a remarkable quasi-universality of backflow and of other properties when expressed in terms of the amount of short-range order as quantified by the height of the first peak of the static structure factor.

  16. A Convective Vorticity Vector Associated With Tropical Convection: A 2D Cloud-Resolving Modeling Study

    NASA Technical Reports Server (NTRS)

    Gao, Shou-Ting; Ping, Fan; Li, Xiao-Fan; Tao, Wei-Kuo

    2004-01-01

    Although dry/moist potential vorticity is a useful physical quantity for meteorological analysis, it cannot be applied to the analysis of 2D simulations. A convective vorticity vector (CVV) is introduced in this study to analyze 2D cloud-resolving simulation data associated with 2D tropical convection. The cloud model is forced by the vertical velocity, zonal wind, horizontal advection, and sea surface temperature obtained from the TOGA COARE, and is integrated for a selected 10-day period. The CVV has zonal and vertical components in the 2D x-z frame. Analysis of zonally-averaged and mass-integrated quantities shows that the correlation coefficient between the vertical component of the CVV and the sum of the cloud hydrometeor mixing ratios is 0.81, whereas the correlation coefficient between the zonal component and the sum of the mixing ratios is only 0.18. This indicates that the vertical component of the CVV is closely associated with tropical convection. The tendency equation for the vertical component of the CVV is derived and the zonally-averaged and mass-integrated tendency budgets are analyzed. The tendency of the vertical component of the CVV is determined by the interaction between the vorticity and the zonal gradient of cloud heating. The results demonstrate that the vertical component of the CVV is a cloud-linked parameter and can be used to study tropical convection.

  17. Highly Omnidirectional and Frequency Controllable Carbon/Polyaniline-based 2D and 3D Monopole Antenna.

    PubMed

    Shin, Keun-Young; Kim, Minkyu; Lee, James S; Jang, Jyongsik

    2015-01-01

    Highly omnidirectional and frequency controllable carbon/polyaniline (C/PANI)-based, two- (2D) and three-dimensional (3D) monopole antennas were fabricated using screen-printing and a one-step, dimensionally confined hydrothermal strategy, respectively. Solvated C/PANI was synthesized by low-temperature interfacial polymerization, during which strong π-π interactions between graphene and the quinoid rings of PANI resulted in an expanded PANI conformation with enhanced crystallinity and improved mechanical and electrical properties. Compared to antennas composed of pristine carbon or PANI-based 2D monopole structures, 2D monopole antennas composed of this enhanced hybrid material were highly efficient and amenable to high-frequency, omnidirectional electromagnetic waves. The mean frequency of C/PANI fiber-based 3D monopole antennas could be controlled by simply cutting and stretching the antenna. These antennas attained high peak gain (3.60 dBi), high directivity (3.91 dBi) and radiation efficiency (92.12%) relative to 2D monopole antenna. These improvements were attributed the high packing density and aspect ratios of C/PANI fibers and the removal of the flexible substrate. This approach offers a valuable and promising tool for producing highly omnidirectional and frequency-controllable, carbon-based monopole antennas for use in wireless networking communications on industrial, scientific, and medical (ISM) bands. PMID:26338090

  18. Roton Excitations and the Fluid-Solid Phase Transition in Superfluid 2D Yukawa Bosons

    NASA Astrophysics Data System (ADS)

    Molinelli, S.; Galli, D. E.; Reatto, L.; Motta, M.

    2016-05-01

    We compute several ground-state properties and the dynamical structure factor of a zero-temperature system of Bosons interacting with the 2D screened Coulomb (2D-SC) potential. We resort to the exact shadow path integral ground state (SPIGS) quantum Monte Carlo method to compute the imaginary-time correlation function of the model, and to the genetic algorithm via falsification of theories (GIFT) to retrieve the dynamical structure factor. We provide a detailed comparison of ground-state properties and collective excitations of 2D-SC and ^4 He atoms. The roton energy of the 2D-SC system is an increasing function of density, and not a decreasing one as in ^4 He. This result is in contrast with the view that the roton is the soft mode of the fluid-solid transition. We uncover a remarkable quasi-universality of backflow and of other properties when expressed in terms of the amount of short-range order as quantified by the height of the first peak of the static structure factor.

  19. Highly Omnidirectional and Frequency Controllable Carbon/Polyaniline-based 2D and 3D Monopole Antenna

    PubMed Central

    Shin, Keun-Young; Kim, Minkyu; Lee, James S.; Jang, Jyongsik

    2015-01-01

    Highly omnidirectional and frequency controllable carbon/polyaniline (C/PANI)-based, two- (2D) and three-dimensional (3D) monopole antennas were fabricated using screen-printing and a one-step, dimensionally confined hydrothermal strategy, respectively. Solvated C/PANI was synthesized by low-temperature interfacial polymerization, during which strong π–π interactions between graphene and the quinoid rings of PANI resulted in an expanded PANI conformation with enhanced crystallinity and improved mechanical and electrical properties. Compared to antennas composed of pristine carbon or PANI-based 2D monopole structures, 2D monopole antennas composed of this enhanced hybrid material were highly efficient and amenable to high-frequency, omnidirectional electromagnetic waves. The mean frequency of C/PANI fiber-based 3D monopole antennas could be controlled by simply cutting and stretching the antenna. These antennas attained high peak gain (3.60 dBi), high directivity (3.91 dBi) and radiation efficiency (92.12%) relative to 2D monopole antenna. These improvements were attributed the high packing density and aspect ratios of C/PANI fibers and the removal of the flexible substrate. This approach offers a valuable and promising tool for producing highly omnidirectional and frequency-controllable, carbon-based monopole antennas for use in wireless networking communications on industrial, scientific, and medical (ISM) bands. PMID:26338090

  20. Highly Omnidirectional and Frequency Controllable Carbon/Polyaniline-based 2D and 3D Monopole Antenna

    NASA Astrophysics Data System (ADS)

    Shin, Keun-Young; Kim, Minkyu; Lee, James S.; Jang, Jyongsik

    2015-09-01

    Highly omnidirectional and frequency controllable carbon/polyaniline (C/PANI)-based, two- (2D) and three-dimensional (3D) monopole antennas were fabricated using screen-printing and a one-step, dimensionally confined hydrothermal strategy, respectively. Solvated C/PANI was synthesized by low-temperature interfacial polymerization, during which strong π-π interactions between graphene and the quinoid rings of PANI resulted in an expanded PANI conformation with enhanced crystallinity and improved mechanical and electrical properties. Compared to antennas composed of pristine carbon or PANI-based 2D monopole structures, 2D monopole antennas composed of this enhanced hybrid material were highly efficient and amenable to high-frequency, omnidirectional electromagnetic waves. The mean frequency of C/PANI fiber-based 3D monopole antennas could be controlled by simply cutting and stretching the antenna. These antennas attained high peak gain (3.60 dBi), high directivity (3.91 dBi) and radiation efficiency (92.12%) relative to 2D monopole antenna. These improvements were attributed the high packing density and aspect ratios of C/PANI fibers and the removal of the flexible substrate. This approach offers a valuable and promising tool for producing highly omnidirectional and frequency-controllable, carbon-based monopole antennas for use in wireless networking communications on industrial, scientific, and medical (ISM) bands.

  1. A subordinate status position increases the present value of financial resources for low 2D:4D men.

    PubMed

    Millet, Kobe; Dewitte, Siegfried

    2008-01-01

    It has been suggested that the ratio of the length of the 2nd and 4th fingers (digit ratio or 2D:4D) is related to prenatal testosterone with lower ratios thought to be influenced by higher prenatal testosterone levels. Accordingly, low 2D:4D has been associated to a number of fitness-related factors, such as high status in competitive sports and in music. Recent evidence suggests that 2D:4D is also related to economic decision making. We combine both streams of research in the present paper. In two studies we manipulated status in two different ways. We found that a subordinate position raises discount rates, consistent with the reasoning that the present utility of money is higher for men in this position. Moreover, the effect was more pronounced for men with a low 2D:4D. There was a significant negative relationship between 2D:4D and level of discounting in a subordinate status position, but no significant relationship emerged in the dominant status position. Our studies add evidence to the recent line of research associating digit ratio and economic decision making. Moreover, our studies show that future 2D:4D research should focus on plausible interactions between 2D:4D and context cues rather than on linear relations.

  2. Graphene based 2D-materials for supercapacitors

    NASA Astrophysics Data System (ADS)

    Palaniselvam, Thangavelu; Baek, Jong-Beom

    2015-09-01

    Ever-increasing energy demands and the depletion of fossil fuels are compelling humanity toward the development of suitable electrochemical energy conversion and storage devices to attain a more sustainable society with adequate renewable energy and zero environmental pollution. In this regard, supercapacitors are being contemplated as potential energy storage devices to afford cleaner, environmentally friendly energy. Recently, a great deal of attention has been paid to two-dimensional (2D) nanomaterials, including 2D graphene and its inorganic analogues (transition metal double layer hydroxides, chalcogenides, etc), as potential electrodes for the development of supercapacitors with high electrochemical performance. This review provides an overview of the recent progress in using these graphene-based 2D materials as potential electrodes for supercapacitors. In addition, future research trends including notable challenges and opportunities are also discussed.

  3. Perception-based reversible watermarking for 2D vector maps

    NASA Astrophysics Data System (ADS)

    Men, Chaoguang; Cao, Liujuan; Li, Xiang

    2010-07-01

    This paper presents an effective and reversible watermarking approach for digital copyright protection of 2D-vector maps. To ensure that the embedded watermark is insensitive for human perception, we only select the noise non-sensitive regions for watermark embedding by estimating vertex density within each polyline. To ensure the exact recovery of original 2D-vector map after watermark extraction, we introduce a new reversible watermarking scheme based on reversible high-frequency wavelet coefficients modification. Within the former-selected non-sensitive regions, our watermarking operates on the lower-order vertex coordinate decimals with integer wavelet transform. Such operation further reduces the visual distortion caused by watermark embedding. We have validated the effectiveness of our scheme on our real-world city river/building 2D-vector maps. We give extensive experimental comparisons with state-of-the-art methods, including embedding capability, invisibility, and robustness over watermark attacking.

  4. 2D bifurcations and Newtonian properties of memristive Chua's circuits

    NASA Astrophysics Data System (ADS)

    Marszalek, W.; Podhaisky, H.

    2016-01-01

    Two interesting properties of Chua's circuits are presented. First, two-parameter bifurcation diagrams of Chua's oscillatory circuits with memristors are presented. To obtain various 2D bifurcation images a substantial numerical effort, possibly with parallel computations, is needed. The numerical algorithm is described first and its numerical code for 2D bifurcation image creation is available for free downloading. Several color 2D images and the corresponding 1D greyscale bifurcation diagrams are included. Secondly, Chua's circuits are linked to Newton's law φ ''= F(t,φ,φ')/m with φ=\\text{flux} , constant m > 0, and the force term F(t,φ,φ') containing memory terms. Finally, the jounce scalar equations for Chua's circuits are also discussed.

  5. Focusing surface wave imaging with flexible 2D array

    NASA Astrophysics Data System (ADS)

    Zhou, Shiyuan; Fu, Junqiang; Li, Zhe; Xu, Chunguang; Xiao, Dingguo; Wang, Shaohan

    2016-04-01

    Curved surface is widely exist in key parts of energy and power equipment, such as, turbine blade cylinder block and so on. Cycling loading and harsh working condition of enable fatigue cracks appear on the surface. The crack should be found in time to avoid catastrophic damage to the equipment. A flexible 2D array transducer was developed. 2D Phased Array focusing method (2DPA), Mode-Spatial Double Phased focusing method (MSDPF) and the imaging method using the flexible 2D array probe are studied. Experiments using these focusing and imaging method are carried out. Surface crack image is obtained with both 2DPA and MSDPF focusing method. It have been proved that MSDPF can be more adaptable for curved surface and more calculate efficient than 2DPA.

  6. Radiative heat transfer in 2D Dirac materials.

    PubMed

    Rodriguez-López, Pablo; Tse, Wang-Kong; Dalvit, Diego A R

    2015-06-01

    We compute the radiative heat transfer between two sheets of 2D Dirac materials, including topological Chern insulators and graphene, within the framework of the local approximation for the optical response of these materials. In this approximation, which neglects spatial dispersion, we derive both numerically and analytically the short-distance asymptotic of the near-field heat transfer in these systems, and show that it scales as the inverse of the distance between the two sheets. Finally, we discuss the limitations to the validity of this scaling law imposed by spatial dispersion in 2D Dirac materials. PMID:25965703

  7. Quantum process tomography by 2D fluorescence spectroscopy

    SciTech Connect

    Pachón, Leonardo A.; Marcus, Andrew H.; Aspuru-Guzik, Alán

    2015-06-07

    Reconstruction of the dynamics (quantum process tomography) of the single-exciton manifold in energy transfer systems is proposed here on the basis of two-dimensional fluorescence spectroscopy (2D-FS) with phase-modulation. The quantum-process-tomography protocol introduced here benefits from, e.g., the sensitivity enhancement ascribed to 2D-FS. Although the isotropically averaged spectroscopic signals depend on the quantum yield parameter Γ of the doubly excited-exciton manifold, it is shown that the reconstruction of the dynamics is insensitive to this parameter. Applications to foundational and applied problems, as well as further extensions, are discussed.

  8. On 2D bisection method for double eigenvalue problems

    SciTech Connect

    Ji, X.

    1996-06-01

    The two-dimensional bisection method presented in (SIAM J. Matrix Anal. Appl. 13(4), 1085 (1992)) is efficient for solving a class of double eigenvalue problems. This paper further extends the 2D bisection method of full matrix cases and analyses its stability. As in a single parameter case, the 2D bisection method is very stable for the tridiagonal matrix triples satisfying the symmetric-definite condition. Since the double eigenvalue problems arise from two-parameter boundary value problems, an estimate of the discretization error in eigenpairs is also given. Some numerical examples are included. 42 refs., 1 tab.

  9. Design of the LRP airfoil series using 2D CFD

    NASA Astrophysics Data System (ADS)

    Zahle, Frederik; Bak, Christian; Sørensen, Niels N.; Vronsky, Tomas; Gaudern, Nicholas

    2014-06-01

    This paper describes the design and wind tunnel testing of a high-Reynolds number, high lift airfoil series designed for wind turbines. The airfoils were designed using direct gradient- based numerical multi-point optimization based on a Bezier parameterization of the shape, coupled to the 2D Navier-Stokes flow solver EllipSys2D. The resulting airfoils, the LRP2-30 and LRP2-36, achieve both higher operational lift coefficients and higher lift to drag ratios compared to the equivalent FFA-W3 airfoils.

  10. Laboratory Experiments On Continually Forced 2d Turbulence

    NASA Astrophysics Data System (ADS)

    Wells, M. G.; Clercx, H. J. H.; Van Heijst, G. J. F.

    There has been much recent interest in the advection of tracers by 2D turbulence in geophysical flows. While there is a large body of literature on decaying 2D turbulence or forced 2D turbulence in unbounded domains, there have been very few studies of forced turbulence in bounded domains. In this study we present new experimental results from a continuously forced quasi 2D turbulent field. The experiments are performed in a square Perspex tank filled with water. The flow is made quasi 2D by a steady background rotation. The rotation rate of the tank has a small (<8 %) sinusoidal perturbation which leads to the periodic formation of eddies in the corners of the tank. When the oscillation period of the perturbation is greater than an eddy roll-up time-scale, dipole structures are observed to form. The dipoles can migrate away from the walls, and the interior of the tank is continually filled with vortexs. From experimental visualizations the length scale of the vortexs appears to be largely controlled by the initial formation mechanism and large scale structures are not observed to form at large times. Thus the experiments provide a simple way of cre- ating a continuously forced 2D turbulent field. The resulting structures are in contrast with most previous laboratory experiments on 2D turbulence which have investigated decaying turbulence and have observed the formations of large scale structure. In these experiments, decaying turbulence had been produced by a variety of methods such as the decaying turbulence in the wake of a comb of rods (Massen et al 1999), organiza- tion of vortices in thin conducting liquids (Cardoso et al 1994) or in rotating systems where there are sudden changes in angular rotation rate (Konijnenberg et al 1998). Results of dye visualizations, particle tracking experiments and a direct numerical simulation will be presented and discussed in terms of their oceanographic application. Bibliography Cardoso,O. Marteau, D. &Tabeling, P

  11. EM 2dV1.0.F

    2012-01-05

    Code is for a layered electric medium with 2d structure. Includes air-earth interface at node z=2.. The electric ex and ez fields are calculated on edges of elemental grid and magnetic field hy is calculated on the face of the elemental grid. The code allows for a layered earth with 2d structures. Solutions of coupled first order Maxwell's equations are solved in the two dimensional environment using a finite- difference scheme on a staggered spationamore » and temporal grid.« less

  12. Noninvasive deep Raman detection with 2D correlation analysis

    NASA Astrophysics Data System (ADS)

    Kim, Hyung Min; Park, Hyo Sun; Cho, Youngho; Jin, Seung Min; Lee, Kang Taek; Jung, Young Mee; Suh, Yung Doug

    2014-07-01

    The detection of poisonous chemicals enclosed in daily necessaries is prerequisite essential for homeland security with the increasing threat of terrorism. For the detection of toxic chemicals, we combined a sensitive deep Raman spectroscopic method with 2D correlation analysis. We obtained the Raman spectra from concealed chemicals employing spatially offset Raman spectroscopy in which incident line-shaped light experiences multiple scatterings before being delivered to inner component and yielding deep Raman signal. Furthermore, we restored the pure Raman spectrum of each component using 2D correlation spectroscopic analysis with chemical inspection. Using this method, we could elucidate subsurface component under thick powder and packed contents in a bottle.

  13. Self-dual strings and 2D SYM

    NASA Astrophysics Data System (ADS)

    Hosomichi, Kazuo; Lee, Sungjay

    2015-01-01

    We study the system of M2-branes suspended between parallel M5-branes using ABJM model with a natural half-BPS boundary condition. For small separation between M5-branes, the worldvolume theory is shown to reduce to a 2D super Yang-Mills theory with some similarity to q-deformed Yang-Mills theory. The gauge coupling is related to the position of the branes in an interesting manner. The theory is considerably different from the 2D theory proposed for multiple "M-strings". We make a detailed comparison of elliptic genus of the two descriptions and find only a partial agreement.

  14. Finite temperature corrections in 2d integrable models

    NASA Astrophysics Data System (ADS)

    Caselle, M.; Hasenbusch, M.

    2002-09-01

    We study the finite size corrections for the magnetization and the internal energy of the 2d Ising model in a magnetic field by using transfer matrix techniques. We compare these corrections with the functional form recently proposed by Delfino and LeClair-Mussardo for the finite temperature behaviour of one-point functions in integrable 2d quantum field theories. We find a perfect agreement between theoretical expectations and numerical results. Assuming the proposed functional form as an input in our analysis we obtain a relevant improvement in the precision of the continuum limit estimates of both quantities.

  15. 2dF grows up: Echidna for the AAT

    NASA Astrophysics Data System (ADS)

    McGrath, Andrew; Barden, Sam; Miziarski, Stan; Rambold, William; Smith, Greg

    2008-07-01

    We present the concept design of a new fibre positioner and spectrograph system for the Anglo-Australian Telescope, as a proposed enhancement to the Anglo-Australian Observatory's well-known 2dF facility. A four-fold multiplex enhancement is accomplished by replacing the 400-fibre 2dF fibre positioning robot with a 1600-fibre Echidna unit, feeding three clones of the AAOmega optical spectrograph. Such a facility has the capability of a redshift 1 survey of a large fraction of the southern sky, collecting five to ten thousand spectra per night for a million-galaxy survey.

  16. Radiative heat transfer in 2D Dirac materials

    DOE PAGES

    Rodriguez-López, Pablo; Tse, Wang -Kong; Dalvit, Diego A. R.

    2015-05-12

    We compute the radiative heat transfer between two sheets of 2D Dirac materials, including topological Chern insulators and graphene, within the framework of the local approximation for the optical response of these materials. In this approximation, which neglects spatial dispersion, we derive both numerically and analytically the short-distance asymptotic of the near-field heat transfer in these systems, and show that it scales as the inverse of the distance between the two sheets. In conclusion, we discuss the limitations to the validity of this scaling law imposed by spatial dispersion in 2D Dirac materials.

  17. Nomenclature for human CYP2D6 alleles.

    PubMed

    Daly, A K; Brockmöller, J; Broly, F; Eichelbaum, M; Evans, W E; Gonzalez, F J; Huang, J D; Idle, J R; Ingelman-Sundberg, M; Ishizaki, T; Jacqz-Aigrain, E; Meyer, U A; Nebert, D W; Steen, V M; Wolf, C R; Zanger, U M

    1996-06-01

    To standardize CYP2D6 allele nomenclature, and to conform with international human gene nomenclature guidelines, an alternative to the current arbitrary system is described. Based on recommendations for human genome nomenclature, we propose that alleles be designated by CYP2D6 followed by an asterisk and a combination of roman letters and arabic numerals distinct for each allele with the number specifying the key mutation and, where appropriate, a letter specifying additional mutations. Criteria for classification as a separate allele and protein nomenclature are also presented. PMID:8807658

  18. Evaluation of 2D ceramic matrix composites in aeroconvective environments

    NASA Technical Reports Server (NTRS)

    Riccitiello, Salvatore R.; Love, Wendell L.; Balter-Peterson, Aliza

    1992-01-01

    An evaluation is conducted of a novel ceramic-matrix composite (CMC) material system for use in the aeroconvective-heating environments encountered by the nose caps and wing leading edges of such aerospace vehicles as the Space Shuttle, during orbit-insertion and reentry from LEO. These CMCs are composed of an SiC matrix that is reinforced with Nicalon, Nextel, or carbon refractory fibers in a 2D architecture. The test program conducted for the 2D CMCs gave attention to their subsurface oxidation.

  19. Quantum process tomography by 2D fluorescence spectroscopy

    NASA Astrophysics Data System (ADS)

    Pachón, Leonardo A.; Marcus, Andrew H.; Aspuru-Guzik, Alán

    2015-06-01

    Reconstruction of the dynamics (quantum process tomography) of the single-exciton manifold in energy transfer systems is proposed here on the basis of two-dimensional fluorescence spectroscopy (2D-FS) with phase-modulation. The quantum-process-tomography protocol introduced here benefits from, e.g., the sensitivity enhancement ascribed to 2D-FS. Although the isotropically averaged spectroscopic signals depend on the quantum yield parameter Γ of the doubly excited-exciton manifold, it is shown that the reconstruction of the dynamics is insensitive to this parameter. Applications to foundational and applied problems, as well as further extensions, are discussed.

  20. 2D molybdenum disulphide (2D-MoS2) modified electrodes explored towards the oxygen reduction reaction.

    PubMed

    Rowley-Neale, Samuel J; Fearn, Jamie M; Brownson, Dale A C; Smith, Graham C; Ji, Xiaobo; Banks, Craig E

    2016-08-21

    Two-dimensional molybdenum disulphide nanosheets (2D-MoS2) have proven to be an effective electrocatalyst, with particular attention being focused on their use towards increasing the efficiency of the reactions associated with hydrogen fuel cells. Whilst the majority of research has focused on the Hydrogen Evolution Reaction (HER), herein we explore the use of 2D-MoS2 as a potential electrocatalyst for the much less researched Oxygen Reduction Reaction (ORR). We stray from literature conventions and perform experiments in 0.1 M H2SO4 acidic electrolyte for the first time, evaluating the electrochemical performance of the ORR with 2D-MoS2 electrically wired/immobilised upon several carbon based electrodes (namely; Boron Doped Diamond (BDD), Edge Plane Pyrolytic Graphite (EPPG), Glassy Carbon (GC) and Screen-Printed Electrodes (SPE)) whilst exploring a range of 2D-MoS2 coverages/masses. Consequently, the findings of this study are highly applicable to real world fuel cell applications. We show that significant improvements in ORR activity can be achieved through the careful selection of the underlying/supporting carbon materials that electrically wire the 2D-MoS2 and utilisation of an optimal mass of 2D-MoS2. The ORR onset is observed to be reduced to ca. +0.10 V for EPPG, GC and SPEs at 2D-MoS2 (1524 ng cm(-2) modification), which is far closer to Pt at +0.46 V compared to bare/unmodified EPPG, GC and SPE counterparts. This report is the first to demonstrate such beneficial electrochemical responses in acidic conditions using a 2D-MoS2 based electrocatalyst material on a carbon-based substrate (SPEs in this case). Investigation of the beneficial reaction mechanism reveals the ORR to occur via a 4 electron process in specific conditions; elsewhere a 2 electron process is observed. This work offers valuable insights for those wishing to design, fabricate and/or electrochemically test 2D-nanosheet materials towards the ORR. PMID:27448174

  1. A novel improved method for analysis of 2D diffusion-relaxation data--2D PARAFAC-Laplace decomposition.

    PubMed

    Tønning, Erik; Polders, Daniel; Callaghan, Paul T; Engelsen, Søren B

    2007-09-01

    This paper demonstrates how the multi-linear PARAFAC model can with advantage be used to decompose 2D diffusion-relaxation correlation NMR spectra prior to 2D-Laplace inversion to the T(2)-D domain. The decomposition is advantageous for better interpretation of the complex correlation maps as well as for the quantification of extracted T(2)-D components. To demonstrate the new method seventeen mixtures of wheat flour, starch, gluten, oil and water were prepared and measured with a 300 MHz nuclear magnetic resonance (NMR) spectrometer using a pulsed gradient stimulated echo (PGSTE) pulse sequence followed by a Carr-Purcell-Meiboom-Gill (CPMG) pulse echo train. By varying the gradient strength, 2D diffusion-relaxation data were recorded for each sample. From these double exponentially decaying relaxation data the PARAFAC algorithm extracted two unique diffusion-relaxation components, explaining 99.8% of the variation in the data set. These two components were subsequently transformed to the T(2)-D domain using 2D-inverse Laplace transformation and quantitatively assigned to the oil and water components of the samples. The oil component was one distinct distribution with peak intensity at D=3 x 10(-12) m(2) s(-1) and T(2)=180 ms. The water component consisted of two broad populations of water molecules with diffusion coefficients and relaxation times centered around correlation pairs: D=10(-9) m(2) s(-1), T(2)=10 ms and D=3 x 10(-13) m(2) s(-1), T(2)=13 ms. Small spurious peaks observed in the inverse Laplace transformation of original complex data were effectively filtered by the PARAFAC decomposition and thus considered artefacts from the complex Laplace transformation. The oil-to-water ratio determined by PARAFAC followed by 2D-Laplace inversion was perfectly correlated with known oil-to-water ratio of the samples. The new method of using PARAFAC prior to the 2D-Laplace inversion proved to have superior potential in analysis of diffusion-relaxation spectra, as it

  2. 2D molybdenum disulphide (2D-MoS2) modified electrodes explored towards the oxygen reduction reaction.

    PubMed

    Rowley-Neale, Samuel J; Fearn, Jamie M; Brownson, Dale A C; Smith, Graham C; Ji, Xiaobo; Banks, Craig E

    2016-08-21

    Two-dimensional molybdenum disulphide nanosheets (2D-MoS2) have proven to be an effective electrocatalyst, with particular attention being focused on their use towards increasing the efficiency of the reactions associated with hydrogen fuel cells. Whilst the majority of research has focused on the Hydrogen Evolution Reaction (HER), herein we explore the use of 2D-MoS2 as a potential electrocatalyst for the much less researched Oxygen Reduction Reaction (ORR). We stray from literature conventions and perform experiments in 0.1 M H2SO4 acidic electrolyte for the first time, evaluating the electrochemical performance of the ORR with 2D-MoS2 electrically wired/immobilised upon several carbon based electrodes (namely; Boron Doped Diamond (BDD), Edge Plane Pyrolytic Graphite (EPPG), Glassy Carbon (GC) and Screen-Printed Electrodes (SPE)) whilst exploring a range of 2D-MoS2 coverages/masses. Consequently, the findings of this study are highly applicable to real world fuel cell applications. We show that significant improvements in ORR activity can be achieved through the careful selection of the underlying/supporting carbon materials that electrically wire the 2D-MoS2 and utilisation of an optimal mass of 2D-MoS2. The ORR onset is observed to be reduced to ca. +0.10 V for EPPG, GC and SPEs at 2D-MoS2 (1524 ng cm(-2) modification), which is far closer to Pt at +0.46 V compared to bare/unmodified EPPG, GC and SPE counterparts. This report is the first to demonstrate such beneficial electrochemical responses in acidic conditions using a 2D-MoS2 based electrocatalyst material on a carbon-based substrate (SPEs in this case). Investigation of the beneficial reaction mechanism reveals the ORR to occur via a 4 electron process in specific conditions; elsewhere a 2 electron process is observed. This work offers valuable insights for those wishing to design, fabricate and/or electrochemically test 2D-nanosheet materials towards the ORR.

  3. A novel improved method for analysis of 2D diffusion relaxation data—2D PARAFAC-Laplace decomposition

    NASA Astrophysics Data System (ADS)

    Tønning, Erik; Polders, Daniel; Callaghan, Paul T.; Engelsen, Søren B.

    2007-09-01

    This paper demonstrates how the multi-linear PARAFAC model can with advantage be used to decompose 2D diffusion-relaxation correlation NMR spectra prior to 2D-Laplace inversion to the T2- D domain. The decomposition is advantageous for better interpretation of the complex correlation maps as well as for the quantification of extracted T2- D components. To demonstrate the new method seventeen mixtures of wheat flour, starch, gluten, oil and water were prepared and measured with a 300 MHz nuclear magnetic resonance (NMR) spectrometer using a pulsed gradient stimulated echo (PGSTE) pulse sequence followed by a Carr-Purcell-Meiboom-Gill (CPMG) pulse echo train. By varying the gradient strength, 2D diffusion-relaxation data were recorded for each sample. From these double exponentially decaying relaxation data the PARAFAC algorithm extracted two unique diffusion-relaxation components, explaining 99.8% of the variation in the data set. These two components were subsequently transformed to the T2- D domain using 2D-inverse Laplace transformation and quantitatively assigned to the oil and water components of the samples. The oil component was one distinct distribution with peak intensity at D = 3 × 10 -12 m 2 s -1 and T2 = 180 ms. The water component consisted of two broad populations of water molecules with diffusion coefficients and relaxation times centered around correlation pairs: D = 10 -9 m 2 s -1, T2 = 10 ms and D = 3 × 10 -13 m 2 s -1, T2 = 13 ms. Small spurious peaks observed in the inverse Laplace transformation of original complex data were effectively filtered by the PARAFAC decomposition and thus considered artefacts from the complex Laplace transformation. The oil-to-water ratio determined by PARAFAC followed by 2D-Laplace inversion was perfectly correlated with known oil-to-water ratio of the samples. The new method of using PARAFAC prior to the 2D-Laplace inversion proved to have superior potential in analysis of diffusion-relaxation spectra, as it

  4. Characterization of core debris/concrete interactions for the Advanced Neutron Source. ANS Severe Accident Analysis Program

    SciTech Connect

    Hyman, C.R.; Taleyarkhan, R.P.

    1992-02-01

    This report provides the results of a recent study conducted to explore the molten core/concrete interaction (MCCI) issue for the Advanced Neutron Source (ANS). The need for such a study arises from the potential threats to reactor system integrity posed by MCCI. These threats include direct attack of the concrete basemat of the containment; generation and release of large quantities of gas that can pressurize the containment; the combustion threat of these gases; and the potential generation, release, and transport of radioactive aerosols to the environment.

  5. Automatic pose initialization for accurate 2D/3D registration applied to abdominal aortic aneurysm endovascular repair

    NASA Astrophysics Data System (ADS)

    Miao, Shun; Lucas, Joseph; Liao, Rui

    2012-02-01

    Minimally invasive abdominal aortic aneurysm (AAA) stenting can be greatly facilitated by overlaying the preoperative 3-D model of the abdominal aorta onto the intra-operative 2-D X-ray images. Accurate 2-D/3-D registration in 3-D space makes the 2-D/3-D overlay robust to the change of C-Arm angulations. By far, the 2-D/3-D registration methods based on simulated X-ray projection images using multiple image planes have been shown to be able to provide satisfactory 3-D registration accuracy. However, one drawback of the intensity-based 2-D/3-D registration methods is that the similarity measure is usually highly non-convex and hence the optimizer can easily be trapped into local minima. User interaction therefore is often needed in the initialization of the position of the 3-D model in order to get a successful 2-D/3-D registration. In this paper, a novel 3-D pose initialization technique is proposed, as an extension of our previously proposed bi-plane 2-D/3-D registration method for AAA intervention [4]. The proposed method detects vessel bifurcation points and spine centerline in both 2-D and 3-D images, and utilizes landmark information to bring the 3-D volume into a 15mm capture range. The proposed landmark detection method was validated on real dataset, and is shown to be able to provide a good initialization for 2-D/3-D registration in [4], thus making the workflow fully automatic.

  6. CMT2D neuropathy is linked to the neomorphic binding activity of glycyl-tRNA synthetase

    PubMed Central

    He, Weiwei; Bai, Ge; Zhou, Huihao; Wei, Na; White, Nicholas M.; Lauer, Janelle; Liu, Huaqing; Shi, Yi; Dumitru, Calin Dan; Lettieri, Karen; Shubayev, Veronica; Jordanova, Albena; Guergueltcheva, Velina; Griffin, Patrick R.; Burgess, Robert W.; Pfaff, Samuel L.; Yang, Xiang-Lei

    2015-01-01

    Summary Selective neuronal loss is a hallmark of neurodegenerative diseases, which counter-intuitively are often caused by mutations in widely-expressed genes1. Charcot-Marie-Tooth (CMT) diseases are the most common hereditary peripheral neuropathies, for which there are no effective therapies2,3. A subtype of the diseases—CMT2D—is caused by dominant mutations in GARS, encoding the ubiquitously expressed enzyme glycyl-tRNA synthetase (GlyRS). Despite the broad requirement of GlyRS for protein biosynthesis in all cells, mutations in this gene cause a selective degeneration of peripheral axons leading to deficits in distal motor function4. How mutations in GlyRS (GlyRSCMT2D) are linked to motor neuron vulnerability has remained elusive. Here we report that GlyRSCMT2D acquires a neomorphic binding activity that directly antagonizes an essential signaling pathway for motor neuron survival. We find that CMT2D mutations alter the conformation of GlyRS, enabling GlyRSCMT2D to bind the Neuropilin 1 (Nrp1) receptor. This aberrant interaction competitively interferes with the binding of the cognate ligand vascular endothelial growth factor (VEGF) to Nrp1. Genetic reduction of Nrp1 in mice worsens CMT2D symptoms, whereas enhanced expression of VEGF improves motor function. These findings link the selective pathology of CMT2D to the neomorphic binding activity of GlyRSCMT2D that antagonizes the VEGF/Nrp1 interaction, and indicate the VEGF/Nrp1 signaling axis is an actionable target for treating CMT2D. PMID:26503042

  7. A survey among Brazilian thoracic surgeons about the use of preoperative 2D and 3D images

    PubMed Central

    Cipriano, Federico Enrique Garcia; Arcêncio, Livia; Dessotte, Lycio Umeda; Rodrigues, Alfredo José; Vicente, Walter Villela de Andrade

    2016-01-01

    Background Describe the characteristics of how the thoracic surgeon uses the 2D/3D medical imaging to perform surgical planning, clinical practice and teaching in thoracic surgery and check the initial choice and the final choice of the Brazilian Thoracic surgeon as the 2D and 3D models pictures before and after acquiring theoretical knowledge on the generation, manipulation and interactive 3D views. Methods A descriptive research type Survey cross to data provided by the Brazilian Thoracic Surgeons (members of the Brazilian Society of Thoracic Surgery) who responded to the online questionnaire via the internet on their computers or personal devices. Results Of the 395 invitations visualized distributed by email, 107 surgeons completed the survey. There was no statically difference when comparing the 2D vs. 3D models pictures for the following purposes: diagnosis, assessment of the extent of disease, preoperative surgical planning, and communication among physicians, resident training, and undergraduate medical education. Regarding the type of tomographic image display routinely used in clinical practice (2D or 3D or 2D–3D model image) and the one preferred by the surgeon at the end of the questionnaire. Answers surgeons for exclusive use of 2D images: initial choice =50.47% and preferably end =14.02%. Responses surgeons to use 3D models in combination with 2D images: initial choice =48.60% and preferably end =85.05%. There was a significant change in the final selection of 3D models used together with the 2D images (P<0.0001). Conclusions There is a lack of knowledge of the 3D imaging, as well as the use and interactive manipulation in dedicated 3D applications, with consequent lack of uniformity in the surgical planning based on CT images. These findings certainly confirm in changing the preference of thoracic surgeons of 2D views of technologies for 3D images.

  8. A survey among Brazilian thoracic surgeons about the use of preoperative 2D and 3D images

    PubMed Central

    Cipriano, Federico Enrique Garcia; Arcêncio, Livia; Dessotte, Lycio Umeda; Rodrigues, Alfredo José; Vicente, Walter Villela de Andrade

    2016-01-01

    Background Describe the characteristics of how the thoracic surgeon uses the 2D/3D medical imaging to perform surgical planning, clinical practice and teaching in thoracic surgery and check the initial choice and the final choice of the Brazilian Thoracic surgeon as the 2D and 3D models pictures before and after acquiring theoretical knowledge on the generation, manipulation and interactive 3D views. Methods A descriptive research type Survey cross to data provided by the Brazilian Thoracic Surgeons (members of the Brazilian Society of Thoracic Surgery) who responded to the online questionnaire via the internet on their computers or personal devices. Results Of the 395 invitations visualized distributed by email, 107 surgeons completed the survey. There was no statically difference when comparing the 2D vs. 3D models pictures for the following purposes: diagnosis, assessment of the extent of disease, preoperative surgical planning, and communication among physicians, resident training, and undergraduate medical education. Regarding the type of tomographic image display routinely used in clinical practice (2D or 3D or 2D–3D model image) and the one preferred by the surgeon at the end of the questionnaire. Answers surgeons for exclusive use of 2D images: initial choice =50.47% and preferably end =14.02%. Responses surgeons to use 3D models in combination with 2D images: initial choice =48.60% and preferably end =85.05%. There was a significant change in the final selection of 3D models used together with the 2D images (P<0.0001). Conclusions There is a lack of knowledge of the 3D imaging, as well as the use and interactive manipulation in dedicated 3D applications, with consequent lack of uniformity in the surgical planning based on CT images. These findings certainly confirm in changing the preference of thoracic surgeons of 2D views of technologies for 3D images. PMID:27621874

  9. Discrepant Results in a 2-D Marble Collision

    ERIC Educational Resources Information Center

    Kalajian, Peter

    2013-01-01

    Video analysis of 2-D collisions is an excellent way to investigate conservation of linear momentum. The often-desired experimental design goal is to minimize the momentum loss in order to demonstrate the conservation law. An air table with colliding pucks is an ideal medium for this experiment, but such equipment is beyond the budget of many…

  10. THz devices based on 2D electron systems

    NASA Astrophysics Data System (ADS)

    Xing, Huili Grace; Yan, Rusen; Song, Bo; Encomendero, Jimy; Jena, Debdeep

    2015-05-01

    In two-dimensional electron systems with mobility on the order of 1,000 - 10,000 cm2/Vs, the electron scattering time is about 1 ps. For the THz window of 0.3 - 3 THz, the THz photon energy is in the neighborhood of 1 meV, substantially smaller than the optical phonon energy of solids where these 2D electron systems resides. These properties make the 2D electron systems interesting as a platform to realize THz devices. In this paper, I will review 3 approaches investigated in the past few years in my group toward THz devices. The first approach is the conventional high electron mobility transistor based on GaN toward THz amplifiers. The second approach is to employ the tunable intraband absorption in 2D electron systems to realize THz modulators, where I will use graphene as a model material system. The third approach is to exploit plasma wave in these 2D electron systems that can be coupled with a negative differential conductance element for THz amplifiers/sources/detectors.

  11. ELLIPT2D: A Flexible Finite Element Code Written Python

    SciTech Connect

    Pletzer, A.; Mollis, J.C.

    2001-03-22

    The use of the Python scripting language for scientific applications and in particular to solve partial differential equations is explored. It is shown that Python's rich data structure and object-oriented features can be exploited to write programs that are not only significantly more concise than their counter parts written in Fortran, C or C++, but are also numerically efficient. To illustrate this, a two-dimensional finite element code (ELLIPT2D) has been written. ELLIPT2D provides a flexible and easy-to-use framework for solving a large class of second-order elliptic problems. The program allows for structured or unstructured meshes. All functions defining the elliptic operator are user supplied and so are the boundary conditions, which can be of Dirichlet, Neumann or Robbins type. ELLIPT2D makes extensive use of dictionaries (hash tables) as a way to represent sparse matrices.Other key features of the Python language that have been widely used include: operator over loading, error handling, array slicing, and the Tkinter module for building graphical use interfaces. As an example of the utility of ELLIPT2D, a nonlinear solution of the Grad-Shafranov equation is computed using a Newton iterative scheme. A second application focuses on a solution of the toroidal Laplace equation coupled to a magnetohydrodynamic stability code, a problem arising in the context of magnetic fusion research.

  12. Proteomic Profiling of Macrophages by 2D Electrophoresis

    PubMed Central

    Bouvet, Marion; Turkieh, Annie; Acosta-Martin, Adelina E.; Chwastyniak, Maggy; Beseme, Olivia; Amouyel, Philippe; Pinet, Florence

    2014-01-01

    The goal of the two-dimensional (2D) electrophoresis protocol described here is to show how to analyse the phenotype of human cultured macrophages. The key role of macrophages has been shown in various pathological disorders such as inflammatory, immunological, and infectious diseases. In this protocol, we use primary cultures of human monocyte-derived macrophages that can be differentiated into the M1 (pro-inflammatory) or the M2 (anti-inflammatory) phenotype. This in vitro model is reliable for studying the biological activities of M1 and M2 macrophages and also for a proteomic approach. Proteomic techniques are useful for comparing the phenotype and behaviour of M1 and M2 macrophages during host pathogenicity. 2D gel electrophoresis is a powerful proteomic technique for mapping large numbers of proteins or polypeptides simultaneously. We describe the protocol of 2D electrophoresis using fluorescent dyes, named 2D Differential Gel Electrophoresis (DIGE). The M1 and M2 macrophages proteins are labelled with cyanine dyes before separation by isoelectric focusing, according to their isoelectric point in the first dimension, and their molecular mass, in the second dimension. Separated protein or polypeptidic spots are then used to detect differences in protein or polypeptide expression levels. The proteomic approaches described here allows the investigation of the macrophage protein changes associated with various disorders like host pathogenicity or microbial toxins. PMID:25408153

  13. 2D signature for detection and identification of drugs

    NASA Astrophysics Data System (ADS)

    Trofimov, Vyacheslav A.; Varentsova, Svetlana A.; Shen, Jingling; Zhang, Cunlin; Zhou, Qingli; Shi, Yulei

    2011-06-01

    The method of spectral dynamics analysis (SDA-method) is used for obtaining the2D THz signature of drugs. This signature is used for the detection and identification of drugs with similar Fourier spectra by transmitted THz signal. We discuss the efficiency of SDA method for the identification problem of pure methamphetamine (MA), methylenedioxyamphetamine (MDA), 3, 4-methylenedioxymethamphetamine (MDMA) and Ketamine.

  14. 2-D Imaging of Electron Temperature in Tokamak Plasmas

    SciTech Connect

    T. Munsat; E. Mazzucato; H. Park; C.W. Domier; M. Johnson; N.C. Luhmann Jr.; J. Wang; Z. Xia; I.G.J. Classen; A.J.H. Donne; M.J. van de Pol

    2004-07-08

    By taking advantage of recent developments in millimeter wave imaging technology, an Electron Cyclotron Emission Imaging (ECEI) instrument, capable of simultaneously measuring 128 channels of localized electron temperature over a 2-D map in the poloidal plane, has been developed for the TEXTOR tokamak. Data from the new instrument, detailing the MHD activity associated with a sawtooth crash, is presented.

  15. On the sensitivity of the 2D electromagnetic invisibility cloak

    NASA Astrophysics Data System (ADS)

    Kaproulias, S.; Sigalas, M. M.

    2012-10-01

    A computational study of the sensitivity of the two dimensional (2D) electromagnetic invisibility cloaks is performed with the finite element method. A circular metallic object is covered with the cloak and the effects of absorption, gain and disorder are examined. Also the effect of covering the cloak with a thin dielectric layer is studied.

  16. Rheological Properties of Quasi-2D Fluids in Microgravity

    NASA Technical Reports Server (NTRS)

    Stannarius, Ralf; Trittel, Torsten; Eremin, Alexey; Harth, Kirsten; Clark, Noel; Maclennan, Joseph; Glaser, Matthew; Park, Cheol; Hall, Nancy; Tin, Padetha

    2015-01-01

    In recent years, research on complex fluids and fluids in restricted geometries has attracted much attention in the scientific community. This can be attributed not only to the development of novel materials based on complex fluids but also to a variety of important physical phenomena which have barely been explored. One example is the behavior of membranes and thin fluid films, which can be described by two-dimensional (2D) rheology behavior that is quite different from 3D fluids. In this study, we have investigated the rheological properties of freely suspended films of a thermotropic liquid crystal in microgravity experiments. This model system mimics isotropic and anisotropic quasi 2D fluids [46]. We use inkjet printing technology to dispense small droplets (inclusions) onto the film surface. The motion of these inclusions provides information on the rheological properties of the films and allows the study of a variety of flow instabilities. Flat films have been investigated on a sub-orbital rocket flight and curved films (bubbles) have been studied in the ISS project OASIS. Microgravity is essential when the films are curved in order to avoid sedimentation. The experiments yield the mobility of the droplets in the films as well as the mutual mobility of pairs of particles. Experimental results will be presented for 2D-isotropic (smectic-A) and 2D-nematic (smectic-C) phases.

  17. 2D molybdenum disulphide (2D-MoS2) modified electrodes explored towards the oxygen reduction reaction

    NASA Astrophysics Data System (ADS)

    Rowley-Neale, Samuel J.; Fearn, Jamie M.; Brownson, Dale A. C.; Smith, Graham C.; Ji, Xiaobo; Banks, Craig E.

    2016-08-01

    Two-dimensional molybdenum disulphide nanosheets (2D-MoS2) have proven to be an effective electrocatalyst, with particular attention being focused on their use towards increasing the efficiency of the reactions associated with hydrogen fuel cells. Whilst the majority of research has focused on the Hydrogen Evolution Reaction (HER), herein we explore the use of 2D-MoS2 as a potential electrocatalyst for the much less researched Oxygen Reduction Reaction (ORR). We stray from literature conventions and perform experiments in 0.1 M H2SO4 acidic electrolyte for the first time, evaluating the electrochemical performance of the ORR with 2D-MoS2 electrically wired/immobilised upon several carbon based electrodes (namely; Boron Doped Diamond (BDD), Edge Plane Pyrolytic Graphite (EPPG), Glassy Carbon (GC) and Screen-Printed Electrodes (SPE)) whilst exploring a range of 2D-MoS2 coverages/masses. Consequently, the findings of this study are highly applicable to real world fuel cell applications. We show that significant improvements in ORR activity can be achieved through the careful selection of the underlying/supporting carbon materials that electrically wire the 2D-MoS2 and utilisation of an optimal mass of 2D-MoS2. The ORR onset is observed to be reduced to ca. +0.10 V for EPPG, GC and SPEs at 2D-MoS2 (1524 ng cm-2 modification), which is far closer to Pt at +0.46 V compared to bare/unmodified EPPG, GC and SPE counterparts. This report is the first to demonstrate such beneficial electrochemical responses in acidic conditions using a 2D-MoS2 based electrocatalyst material on a carbon-based substrate (SPEs in this case). Investigation of the beneficial reaction mechanism reveals the ORR to occur via a 4 electron process in specific conditions; elsewhere a 2 electron process is observed. This work offers valuable insights for those wishing to design, fabricate and/or electrochemically test 2D-nanosheet materials towards the ORR.Two-dimensional molybdenum disulphide nanosheets

  18. The NH2D hyperfine structure revealed by astrophysical observations

    NASA Astrophysics Data System (ADS)

    Daniel, F.; Coudert, L. H.; Punanova, A.; Harju, J.; Faure, A.; Roueff, E.; Sipilä, O.; Caselli, P.; Güsten, R.; Pon, A.; Pineda, J. E.

    2016-02-01

    Context. The 111-101 lines of ortho- and para-NH2D (o/p-NH2D) at 86 and 110 GHz, respectively, are commonly observed to provide constraints on the deuterium fractionation in the interstellar medium. In cold regions, the hyperfine structure that is due to the nitrogen (14N) nucleus is resolved. To date, this splitting is the only one that is taken into account in the NH2D column density estimates. Aims: We investigate how including the hyperfine splitting caused by the deuterium (D) nucleus affects the analysis of the rotational lines of NH2D. Methods: We present 30 m IRAM observations of the above mentioned lines and APEX o/p-NH2D observations of the 101-000 lines at 333 GHz. The hyperfine patterns of the observed lines were calculated taking into account the splitting induced by the D nucleus. The analysis then relies on line lists that either neglect or include the splitting induced by the D nucleus. Results: The hyperfine spectra are first analyzed with a line list that only includes the hyperfine splitting that is due to the 14N nucleus. We find inconsistencies between the line widths of the 101-000 and 111-101 lines, the latter being larger by a factor of ~1.6 ± 0.3. Such a large difference is unexpected because the two sets of lines probably originate from the same region. We next employed a newly computed line list for the o/p-NH2D transitions where the hyperfine structure induced by both nitrogen and deuterium nuclei was included. With this new line list, the analysis of the previous spectra leads to compatible line widths. Conclusions: Neglecting the hyperfine structure caused by D leads to overestimating the line widths of the o/p-NH2D lines at 3 mm. The error for a cold molecular core is about 50%. This error propagates directly to the column density estimate. We therefore recommend to take the hyperfine splittings caused by both the 14N and D nuclei into account in any analysis that relies on these lines. Based on observations carried out with the IRAM

  19. Half-metallicity in 2D organometallic honeycomb frameworks

    NASA Astrophysics Data System (ADS)

    Sun, Hao; Li, Bin; Zhao, Jin

    2016-10-01

    Half-metallic materials with a high Curie temperature (T C) have many potential applications in spintronics. Magnetic metal free two-dimensional (2D) half-metallic materials with a honeycomb structure contain graphene-like Dirac bands with π orbitals and show excellent aspects in transport properties. In this article, by investigating a series of 2D organometallic frameworks with a honeycomb structure using first principles calculations, we study the origin of forming half-metallicity in this kind of 2D organometallic framework. Our analysis shows that charge transfer and covalent bonding are two crucial factors in the formation of half-metallicity in organometallic frameworks. (i) Sufficient charge transfer from metal atoms to the molecules is essential to form the magnetic centers. (ii) These magnetic centers need to be connected through covalent bonding, which guarantee the strong ferromagnetic (FM) coupling. As examples, the organometallic frameworks composed by (1,3,5)-benzenetricarbonitrile (TCB) molecules with noble metals (Au, Ag, Cu) show half-metallic properties with T C as high as 325 K. In these organometallic frameworks, the strong electronegative cyano-groups (CN groups) drive the charge transfer from metal atoms to the TCB molecules, forming the local magnetic centers. These magnetic centers experience strong FM coupling through the d-p covalent bonding. We propose that most of the 2D organometallic frameworks composed by molecule—CN—noble metal honeycomb structures contain similar half metallicity. This is verified by replacing TCB molecules with other organic molecules. Although the TCB-noble metal organometallic framework has not yet been synthesized, we believe the development of synthesizing techniques and facility will enable the realization of them. Our study provides new insight into the 2D half-metallic material design for the potential applications in nanotechnology.

  20. Half-metallicity in 2D organometallic honeycomb frameworks.

    PubMed

    Sun, Hao; Li, Bin; Zhao, Jin

    2016-10-26

    Half-metallic materials with a high Curie temperature (T C) have many potential applications in spintronics. Magnetic metal free two-dimensional (2D) half-metallic materials with a honeycomb structure contain graphene-like Dirac bands with π orbitals and show excellent aspects in transport properties. In this article, by investigating a series of 2D organometallic frameworks with a honeycomb structure using first principles calculations, we study the origin of forming half-metallicity in this kind of 2D organometallic framework. Our analysis shows that charge transfer and covalent bonding are two crucial factors in the formation of half-metallicity in organometallic frameworks. (i) Sufficient charge transfer from metal atoms to the molecules is essential to form the magnetic centers. (ii) These magnetic centers need to be connected through covalent bonding, which guarantee the strong ferromagnetic (FM) coupling. As examples, the organometallic frameworks composed by (1,3,5)-benzenetricarbonitrile (TCB) molecules with noble metals (Au, Ag, Cu) show half-metallic properties with T C as high as 325 K. In these organometallic frameworks, the strong electronegative cyano-groups (CN groups) drive the charge transfer from metal atoms to the TCB molecules, forming the local magnetic centers. These magnetic centers experience strong FM coupling through the d-p covalent bonding. We propose that most of the 2D organometallic frameworks composed by molecule-CN-noble metal honeycomb structures contain similar half metallicity. This is verified by replacing TCB molecules with other organic molecules. Although the TCB-noble metal organometallic framework has not yet been synthesized, we believe the development of synthesizing techniques and facility will enable the realization of them. Our study provides new insight into the 2D half-metallic material design for the potential applications in nanotechnology.

  1. Half-metallicity in 2D organometallic honeycomb frameworks.

    PubMed

    Sun, Hao; Li, Bin; Zhao, Jin

    2016-10-26

    Half-metallic materials with a high Curie temperature (T C) have many potential applications in spintronics. Magnetic metal free two-dimensional (2D) half-metallic materials with a honeycomb structure contain graphene-like Dirac bands with π orbitals and show excellent aspects in transport properties. In this article, by investigating a series of 2D organometallic frameworks with a honeycomb structure using first principles calculations, we study the origin of forming half-metallicity in this kind of 2D organometallic framework. Our analysis shows that charge transfer and covalent bonding are two crucial factors in the formation of half-metallicity in organometallic frameworks. (i) Sufficient charge transfer from metal atoms to the molecules is essential to form the magnetic centers. (ii) These magnetic centers need to be connected through covalent bonding, which guarantee the strong ferromagnetic (FM) coupling. As examples, the organometallic frameworks composed by (1,3,5)-benzenetricarbonitrile (TCB) molecules with noble metals (Au, Ag, Cu) show half-metallic properties with T C as high as 325 K. In these organometallic frameworks, the strong electronegative cyano-groups (CN groups) drive the charge transfer from metal atoms to the TCB molecules, forming the local magnetic centers. These magnetic centers experience strong FM coupling through the d-p covalent bonding. We propose that most of the 2D organometallic frameworks composed by molecule-CN-noble metal honeycomb structures contain similar half metallicity. This is verified by replacing TCB molecules with other organic molecules. Although the TCB-noble metal organometallic framework has not yet been synthesized, we believe the development of synthesizing techniques and facility will enable the realization of them. Our study provides new insight into the 2D half-metallic material design for the potential applications in nanotechnology. PMID:27541575

  2. BILL2D - A software package for classical two-dimensional Hamiltonian systems

    NASA Astrophysics Data System (ADS)

    Solanpää, J.; Luukko, P. J. J.; Räsänen, E.

    2016-02-01

    We present BILL2D, a modern and efficient C++ package for classical simulations of two-dimensional Hamiltonian systems. BILL2D can be used for various billiard and diffusion problems with one or more charged particles with interactions, different external potentials, an external magnetic field, periodic and open boundaries, etc. The software package can also calculate many key quantities in complex systems such as Poincaré sections, survival probabilities, and diffusion coefficients. While aiming at a large class of applicable systems, the code also strives for ease-of-use, efficiency, and modularity for the implementation of additional features. The package comes along with a user guide, a developer's manual, and a documentation of the application program interface (API).

  3. BEC in 2D and 3D with correct Cooper pair dispersion

    NASA Astrophysics Data System (ADS)

    Adhikari, Sadhan K.; Casas, M.; Puente, A.; Rigo, A.; Fortes, M.; Solís, M. A.; de Llano, M.; Valladares, A. A.; Rojo, O.

    2000-03-01

    Of crucial importance in a microscopic model of superconductivity based on Bose-Einstein condensation (BEC) of Cooper pairs is their correct energy vs. center-of-mass-momentum (CMM) relation. The BEC transition temperature in two dimensions (2D) is infinite for a linear relation in zero coupling, is well-known to vanish for the usual quadratic one, and to interpolate smoothly between these two extremes. Virtually all superconductors belong to the linear, i.e., weak-coupling, regime. Cooper pairing in 2D and 3D is analyzed with a set of renormalized equations to determine its binding energy for any (charge-carrier) fermion number density and all coupling assuming a general short-range (even singular) pairwise residual interfermion interaction. Cooper pairs with non-zero CMM are also considered and the linear to quadratic crossover of the CMM dependence is studied numerically as a function of coupling/density.

  4. Submillimeter laboratory identification of CH{sup +} and CH{sub 2}D{sup +}

    SciTech Connect

    Amano, T.

    2015-01-22

    Laboratory identification of two basic and important interstellar molecular ions is presented. The J = 1 - 0 rotational transition of {sup 12}CH{sup +} together with those of {sup 13}CH{sup +} and {sup 12}CD{sup +} was observed in the laboratory. The newly obtained frequencies were found to be different from those reported previously. Various experimental evidences firmly support the new measurements. In addition, the Zeeman effect and the spin-rotation hyperfine interaction enforce the laboratory identification with no ambiguity. Rotational lines of CH{sub 2}D{sup +} were observed in the submillimeter-wave region. This laboratory observation is consistent with a recent tentative identification of CH{sub 2}D{sup +} toward Ori IRc2.

  5. Nonlinear propagating localized modes in a 2D hexagonal crystal lattice

    NASA Astrophysics Data System (ADS)

    Bajars, Janis; Eilbeck, J. Chris; Leimkuhler, Benedict

    2015-05-01

    In this paper we consider a 2D hexagonal crystal lattice model first proposed by Marín, Eilbeck and Russell in 1998. We perform a detailed numerical study of nonlinear propagating localized modes, that is, propagating discrete breathers and kinks. The original model is extended to allow for arbitrary atomic interactions, and to allow atoms to travel out of the unit cell. A new on-site potential is considered with a periodic smooth function with hexagonal symmetry. We are able to confirm the existence of long-lived propagating discrete breathers. Our simulations show that, as they evolve, breathers appear to localize in frequency space, i.e. the energy moves from sidebands to a main frequency band. Our numerical findings shed light on the open question of whether exact moving breather solutions exist in 2D hexagonal layers in physical crystal lattices.

  6. N-Benzyl-thieno[3,2-d]pyrimidin-4-amine.

    PubMed

    Starha, Pavel; Trávníček, Zdeněk

    2013-05-01

    The title compound, C13H11N3S, crystallizes with two independent mol-ecules in the asymmetric unit. The two mol-ecules are geometrically very similar and differ mainly in a spatial orientation of the benzene and thieno[3,2-d]pyrimidine ring systems [dihedral angles = 69.49 (4) and 79.05 (3)°]. The nine-membered thieno[3,2-d]pyrimidine moieties have a planar conformation (r.m.s. deviations = 0.020 and 0.012 Å). In the crystal, mol-ecules are linked through N-H⋯N, N-H⋯C and C-H⋯π non-covalent contacts into chains along the c axis, while neighbouring chains are connected via C-H⋯N inter-actions. PMID:23723854

  7. Partial clustering prevents global crystallization in a binary 2D colloidal glass former.

    PubMed

    Ebert, F; Maret, G; Keim, P

    2009-07-01

    A mixture of two types of super-paramagnetic colloidal particles with long-range dipolar interaction is confined by gravity to the flat interface of a hanging water droplet. The particles are observed by video microscopy and the dipolar interaction strength is controlled via an external magnetic field. The system is a model system to study the glass transition in 2D, and it exhibits partial clustering of the small particles (N. Hoffmann et al., Phys. Rev. Lett. 97, 078301 (2006)). This clustering is strongly dependent on the relative concentration [Formula: see text] of big and small particles. However, changing the interaction strength [Formula: see text] reveals that the clustering does not depend on the interaction strength. The partial clustering scenario is quantified using Minkowski functionals and partial structure factors. Evidence that partial clustering prevents global crystallization is discussed.

  8. 2D-2D tunneling field-effect transistors using WSe2/SnSe2 heterostructures

    NASA Astrophysics Data System (ADS)

    Roy, Tania; Tosun, Mahmut; Hettick, Mark; Ahn, Geun Ho; Hu, Chenming; Javey, Ali

    2016-02-01

    Two-dimensional materials present a versatile platform for developing steep transistors due to their uniform thickness and sharp band edges. We demonstrate 2D-2D tunneling in a WSe2/SnSe2 van der Waals vertical heterojunction device, where WSe2 is used as the gate controlled p-layer and SnSe2 is the degenerately n-type layer. The van der Waals gap facilitates the regulation of band alignment at the heterojunction, without the necessity of a tunneling barrier. ZrO2 is used as the gate dielectric, allowing the scaling of gate oxide to improve device subthreshold swing. Efficient gate control and clean interfaces yield a subthreshold swing of ˜100 mV/dec for >2 decades of drain current at room temperature, hitherto unobserved in 2D-2D tunneling devices. The subthreshold swing is independent of temperature, which is a clear signature of band-to-band tunneling at the heterojunction. A maximum switching ratio ION/IOFF of 107 is obtained. Negative differential resistance in the forward bias characteristics is observed at 77 K. This work bodes well for the possibilities of two-dimensional materials for the realization of energy-efficient future-generation electronics.

  9. A simplified concentration series to produce a pair of 2D asynchronous spectra based on the DAOSD approach

    NASA Astrophysics Data System (ADS)

    Kang, Xiaoyan; He, Anqi; Guo, Ran; Zhai, Yanjun; Xu, Yizhuang; Noda, Isao; Wu, Jinguang

    2016-11-01

    We propose a substantially simplified approach to construct a pair of 2D asynchronous spectra based on the DAOSD approach proposed in our previous papers. By using a new concentration series, only three 1D spectra are used to generate a pair of 2D correlation spectra together with two reference spectra. By using this method, the previous problem of labor intensive traditional DAOSD approach has been successfully addressed. We apply the new approach to characterize intermolecular interaction between acetonitrile and butanone dissolved in carbon tetrachloride. The existence of intermolecular interaction between the two solutes can be confirmed by the presence of a cross peak in the resultant 2D IR spectra. In addition, the absence of cross peak around (2254, 2292) in Ψbutanone provides another experimental evidence to reveal the intrinsic relationship between the Ctbnd N stretching band and an overtone band (δCH3+νC-C).

  10. A new kind of 2D topological insulators BiCN with a giant gap and its substrate effects.

    PubMed

    Fu, Botao; Ge, Yanfeng; Su, Wenyong; Guo, Wei; Liu, Cheng-Cheng

    2016-01-01

    Based on DFT calculation, we predict that BiCN, i.e., bilayer Bi films passivated with -CN group, is a novel 2D Bi-based material with highly thermodynamic stability, and demonstrate that it is also a new kind of 2D TI with a giant SOC gap (~1 eV) by direct calculation of the topological invariant Z2 and obvious exhibition of the helical edge states. Monolayer h-BN and MoS2 are identified as good candidate substrates for supporting the nontrivial topological insulating phase of the 2D TI films, since the two substrates can stabilize and weakly interact with BiCN via van der Waals interaction and thus hardly affect the electronic properties, especially the band topology. The topological properties are robust against the strain and electric field. This may provide a promising platform for realization of novel topological phases. PMID:27444954

  11. A new kind of 2D topological insulators BiCN with a giant gap and its substrate effects

    PubMed Central

    Fu, Botao; Ge, Yanfeng; Su, Wenyong; Guo, Wei; Liu, Cheng-Cheng

    2016-01-01

    Based on DFT calculation, we predict that BiCN, i.e., bilayer Bi films passivated with -CN group, is a novel 2D Bi-based material with highly thermodynamic stability, and demonstrate that it is also a new kind of 2D TI with a giant SOC gap (~1 eV) by direct calculation of the topological invariant Z2 and obvious exhibition of the helical edge states. Monolayer h-BN and MoS2 are identified as good candidate substrates for supporting the nontrivial topological insulating phase of the 2D TI films, since the two substrates can stabilize and weakly interact with BiCN via van der Waals interaction and thus hardly affect the electronic properties, especially the band topology. The topological properties are robust against the strain and electric field. This may provide a promising platform for realization of novel topological phases. PMID:27444954

  12. A new kind of 2D topological insulators BiCN with a giant gap and its substrate effects

    NASA Astrophysics Data System (ADS)

    Fu, Botao; Ge, Yanfeng; Su, Wenyong; Guo, Wei; Liu, Cheng-Cheng

    2016-07-01

    Based on DFT calculation, we predict that BiCN, i.e., bilayer Bi films passivated with -CN group, is a novel 2D Bi-based material with highly thermodynamic stability, and demonstrate that it is also a new kind of 2D TI with a giant SOC gap (~1 eV) by direct calculation of the topological invariant Z2 and obvious exhibition of the helical edge states. Monolayer h-BN and MoS2 are identified as good candidate substrates for supporting the nontrivial topological insulating phase of the 2D TI films, since the two substrates can stabilize and weakly interact with BiCN via van der Waals interaction and thus hardly affect the electronic properties, especially the band topology. The topological properties are robust against the strain and electric field. This may provide a promising platform for realization of novel topological phases.

  13. Almost but not quite 2D, Non-linear Bayesian Inversion of CSEM Data

    NASA Astrophysics Data System (ADS)

    Ray, A.; Key, K.; Bodin, T.

    2013-12-01

    The geophysical inverse problem can be elegantly stated in a Bayesian framework where a probability distribution can be viewed as a statement of information regarding a random variable. After all, the goal of geophysical inversion is to provide information on the random variables of interest - physical properties of the earth's subsurface. However, though it may be simple to postulate, a practical difficulty of fully non-linear Bayesian inversion is the computer time required to adequately sample the model space and extract the information we seek. As a consequence, in geophysical problems where evaluation of a full 2D/3D forward model is computationally expensive, such as marine controlled source electromagnetic (CSEM) mapping of the resistivity of seafloor oil and gas reservoirs, Bayesian studies have largely been conducted with 1D forward models. While the 1D approximation is indeed appropriate for exploration targets with planar geometry and geological stratification, it only provides a limited, site-specific idea of uncertainty in resistivity with depth. In this work, we extend our fully non-linear 1D Bayesian inversion to a 2D model framework, without requiring the usual regularization of model resistivities in the horizontal or vertical directions used to stabilize quasi-2D inversions. In our approach, we use the reversible jump Markov-chain Monte-Carlo (RJ-MCMC) or trans-dimensional method and parameterize the subsurface in a 2D plane with Voronoi cells. The method is trans-dimensional in that the number of cells required to parameterize the subsurface is variable, and the cells dynamically move around and multiply or combine as demanded by the data being inverted. This approach allows us to expand our uncertainty analysis of resistivity at depth to more than a single site location, allowing for interactions between model resistivities at different horizontal locations along a traverse over an exploration target. While the model is parameterized in 2D, we

  14. Impact of Interface Roughness on the Metallic Transport of Strongly Correlated 2D Holes in GaAs Quantum Wells

    NASA Astrophysics Data System (ADS)

    Goble, Nicholas; Watson, John; Manfra, Michael; Gao, Xuan

    2014-03-01

    Understanding the non-monotonic behavior in the temperature dependent resistance, R(T) , of strongly correlated two-dimensional (2D) carriers in clean semiconductors has been a central issue in the studies of 2D metallic states and metal-insulator transitions. We have studied the transport of high mobility 2D holes in 20nm wide GaAs quantum wells with varying interface roughness by changing the Al fraction x in the AlxGa1-xAs barrier. Prior to this work, no comprehensive study of the non-monotonic resistance peak against controlled barrier characteristics has been conducted. We show that the shape of the electronic contribution to R(T) is qualitatively unchanged throughout all of our measurements, regardless of the percentage of Al in the barrier. It is observed that increasing x or short range interface roughness suppresses both the strength and characteristic temperature scale of the 2D metallicity, pointing to the distinct role of short range versus long range disorder in the 2D metallic transport in this 2D hole system with interaction parameter rs ~ 20. N.G. acknowledges the US DOE GAANN fellowship (P200A090276 & P200A070434). M.J.M. is supported by the Miller Family Foundation and the US DOE, Office of Basic Energy Sciences, DMS (DE-SC0006671). X.P.A.G thanks the NSF for funding support (DMR-0906415).

  15. Digit ratio 2D:4D in relation to autism spectrum disorders, empathizing, and systemizing: a quantitative review.

    PubMed

    Hönekopp, Johannes

    2012-08-01

    Prenatal testosterone (PT) effects have been proposed to increase systemizing (the drive to understand lawful input-output relationships), to decrease empathizing (the drive to understand others), and to cause autism via hypermasculinization of the brain. Digit ratio 2D:4D is a putative marker of PT effects in humans. An online study (n = 1896) into the relationship between the Reading the Mind in the Eyes Test (a widely used measure of empathizing) and self-measured 2D:4D in a nonclinical sample is reported. No evidence for a link between empathizing and 2D:4D in either females or males emerged. Further, three meta-analyses are presented that look into the relationships of 2D:4D with autism spectrum disorder (ASD), systemizing, and empathizing. 2D:4D was substantially lower (more masculine) in ASD-affected individuals than in normal controls (d = -0.58, P < 0.001). However, 2D:4D was found to be virtually unrelated to systemizing and empathizing in normal adults. The results support the idea that high PT is a risk factor for autism, but they challenge the view that PT substantially contributes to sex differences in systemizing and empathizing. Possibly, this pattern reflects an interaction effect, whereby PT drives ASD characteristic changes only in brains with a specific damage.

  16. Interpretation of Magnetic Phase Anomalies over 2D Tabular Bodies

    NASA Astrophysics Data System (ADS)

    Subrahmanyam, M.

    2016-05-01

    In this study, phase angle (inverse tangent of the ratio of the horizontal to vertical gradients of magnetic anomalies) profile over two-dimensional tabular bodies has been subjected to detailed analysis for determining the source parameters. Distances between certain characteristic positions on this phase curve are related to the parameters of two-dimensional tabular magnetic sources. In this paper, I have derived the mathematical expressions for these relations. It has been demonstrated here that for locating the origin of the 2D tabular source, knowledge on the type of the model (contact, sheet, dyke, and fault) is not necessary. A procedure is evolved to determine the location, depth, width and magnetization angle of the 2D sources from the mathematical expressions. The method is tested on real field data. The effect of the overlapping bodies is also discussed with two synthetic examples. The interpretation technique is developed for contact, sheet, dike and inclined fault bodies.

  17. 2-D Magnetohydrodynamic Modeling of A Pulsed Plasma Thruster

    NASA Technical Reports Server (NTRS)

    Thio, Y. C. Francis; Cassibry, J. T.; Wu, S. T.; Rodgers, Stephen L. (Technical Monitor)

    2002-01-01

    Experiments are being performed on the NASA Marshall Space Flight Center (MSFC) MK-1 pulsed plasma thruster. Data produced from the experiments provide an opportunity to further understand the plasma dynamics in these thrusters via detailed computational modeling. The detailed and accurate understanding of the plasma dynamics in these devices holds the key towards extending their capabilities in a number of applications, including their applications as high power (greater than 1 MW) thrusters, and their use for producing high-velocity, uniform plasma jets for experimental purposes. For this study, the 2-D MHD modeling code, MACH2, is used to provide detailed interpretation of the experimental data. At the same time, a 0-D physics model of the plasma initial phase is developed to guide our 2-D modeling studies.

  18. Continuum Nonsimple Loops and 2D Critical Percolation

    NASA Astrophysics Data System (ADS)

    Camia, Federico; Newman, Charles M.

    2004-08-01

    Substantial progress has been made in recent years on the 2D critical percolation scaling limit and its conformal invariance properties. In particular, chordal SLE 6(the Stochastic Loewner Evolution with parameter κ=6) was, in the work of Schramm and of Smirnov, identified as the scaling limit of the critical percolation "exploration process." In this paper we use that and other results to construct what we argue is the fullscaling limit of the collection of allclosed contours surrounding the critical percolation clusters on the 2D triangular lattice. This random process or gas of continuum nonsimple loops in Bbb R2is constructed inductively by repeated use of chordal SLE 6. These loops do not cross but do touch each other—indeed, any two loops are connected by a finite "path" of touching loops.

  19. Functionalized 2D atomic sheets with new properties

    NASA Astrophysics Data System (ADS)

    Sun, Qiang; Zhou, Jian; Wang, Qian; Jena, Puru

    2011-03-01

    Due to the unique atomic structure and novel physical and chemical properties, graphene has sparked tremendous theoretical and experimental efforts to explore other 2D atomic sheets like B-N, Al-N, and Zn-O, where the two components offer much more complexities and flexibilities in surface modifications. Using First principles calculations based on density functional theory, we have systematically studied the semi- and fully-decorated 2D sheets with H and F and Cl. We have found that the electronic structures and magnetic properties can be effectively tuned, and the system can be a direct or an indirect semiconductor or even a half-metal, and the system can be made ferromagnetic, antiferromagnetic, or magnetically degenerate depending upon how the surface is functionalized. Discussions are made for the possible device applications.

  20. A Better 2-D Mechanical Energy Conservation Experiment

    NASA Astrophysics Data System (ADS)

    Paesler, Michael

    2012-02-01

    A variety of simple classical mechanics energy conservation experiments are used in teaching laboratories. Typical one-dimensional (1-D) setups may involve falling balls or oscillating springs. Many of these can be quite satisfying in that students can confirm—within a few percent—that mechanical energy is conserved. Students generally have little trouble identifying discrepancies such as the loss of a few percent of the gravitational potential energy due to air friction encountered by a falling ball. Two-dimensional (2-D) systems can require more sophisticated analysis for higher level laboratories, but such systems often incorporate complicating components that can make the exercise academically incomplete and experimentally less accurate. The following describes a simple 2-D energy conservation experiment based on the popular "Newton's Cradle" toy that allows students to account for nearly all of the mechanical energy in the system in an academically complete analysis.

  1. Critical Dynamics in Quenched 2D Atomic Gases

    NASA Astrophysics Data System (ADS)

    Larcher, F.; Dalfovo, F.; Proukakis, N. P.

    2016-05-01

    Non-equilibrium dynamics across phase transitions is a subject of intense investigations in diverse physical systems. One of the key issues concerns the validity of the Kibble-Zurek (KZ) scaling law for spontaneous defect creation. The KZ mechanism has been recently studied in cold atoms experiments. Interesting open questions arise in the case of 2D systems, due to the distinct nature of the Berezinskii-Kosterlitz-Thouless (BKT) transition. Our studies rely on the stochastic Gross-Pitaevskii equation. We perform systematic numerical simulations of the spontaneous emergence and subsequent dynamics of vortices in a uniform 2D Bose gas, which is quenched across the BKT phase transition in a controlled manner, focusing on dynamical scaling and KZ-type effects. By varying the transverse confinement, we also look at the extent to which such features can be seen in current experiments. Financial support from EPSRC and Provincia Autonoma di Trento.

  2. Defect Dynamics in Active 2D Nematic Liquid Crystals

    NASA Astrophysics Data System (ADS)

    Decamp, Stephen; Redner, Gabriel; Hagan, Michael; Dogic, Zvonimir

    2014-03-01

    Active materials are assemblies of animate, energy-consuming objects that exhibit continuous dynamics. As such, they have properties that are dramatically different from those found in conventional materials made of inanimate objects. We present a 2D active nematic liquid crystal composed of bundled microtubules and kinesin motor proteins that exists in a dynamic steady-state far from equilibrium. The active nematic exhibits spontaneous binding and unbinding of charge +1/2 and -1/2 disclination defects as well as streaming of +1/2 defects. By tuning ATP concentration, we precisely control the amount of activity, a key parameter of the system. We characterize the dynamics of streaming defects on a large, flat, 2D interface using quantitative polarization light microscopy. We report fundamental characteristics of the active nematics such as defect velocities, defect creation and annihilation rates, and emergent length scales in the system.

  3. Controlling avalanche criticality in 2D nano arrays.

    PubMed

    Zohar, Y C; Yochelis, S; Dahmen, K A; Jung, G; Paltiel, Y

    2013-01-01

    Many physical systems respond to slowly changing external force through avalanches spanning broad range of sizes. Some systems crackle even without apparent external force, such as bursts of neuronal activity or charge transfer avalanches in 2D molecular layers. Advanced development of theoretical models describing disorder-induced critical phenomena calls for experiments probing the dynamics upon tuneable disorder. Here we show that isomeric structural transitions in 2D organic self-assembled monolayer (SAM) exhibit critical dynamics with experimentally tuneable disorder. The system consists of field effect transistor coupled through SAM to illuminated semiconducting nanocrystals (NCs). Charges photoinduced in NCs are transferred through SAM to the transistor surface and modulate its conductivity. Avalanches of isomeric structural transitions are revealed by measuring the current noise I(t) of the transistor. Accumulated surface traps charges reduce dipole moments of the molecules, decrease their coupling, and thus decrease the critical disorder of the SAM enabling its tuning during experiments.

  4. Visualization of 2-D and 3-D Tensor Fields

    NASA Technical Reports Server (NTRS)

    Hesselink, Lambertus

    1997-01-01

    In previous work we have developed a novel approach to visualizing second order symmetric 2-D tensor fields based on degenerate point analysis. At degenerate points the eigenvalues are either zero or equal to each other, and the hyper-streamlines about these points give rise to tri-sector or wedge points. These singularities and their connecting hyper-streamlines determine the topology of the tensor field. In this study we are developing new methods for analyzing and displaying 3-D tensor fields. This problem is considerably more difficult than the 2-D one, as the richness of the data set is much larger. Here we report on our progress and a novel method to find , analyze and display 3-D degenerate points. First we discuss the theory, then an application involving a 3-D tensor field, the Boussinesq problem with two forces.

  5. Visualization of 2-D and 3-D Tensor Fields

    NASA Technical Reports Server (NTRS)

    Hesselink, Lambertus

    1995-01-01

    In previous work we have developed a novel approach to visualizing second order symmetric 2-D tensor fields based on degenerate point analysis. At degenerate points the eigenvalues are either zero or equal to each other, and the hyperstreamlines about these points give rise to trisector or wedge points. These singularities and their connecting hyperstreamlines determine the topology of the tensor field. In this study we are developing new methods for analyzing and displaying 3-D tensor fields. This problem is considerably more difficult than the 2-D one, as the richness of the data set is much larger. Here we report on our progress and a novel method to find, analyze and display 3-D degenerate points. First we discuss the theory, then an application involving a 3-D tensor field, the Boussinesq problem with two forces.

  6. 2D FEM Heat Transfer & E&M Field Code

    SciTech Connect

    1992-04-02

    TOPAZ and TOPAZ2D are two-dimensional implicit finite element computer codes for heat transfer analysis. TOPAZ2D can also be used to solve electrostatic and magnetostatic problems. The programs solve for the steady-state or transient temperature or electrostatic and magnetostatic potential field on two-dimensional planar or axisymmetric geometries. Material properties may be temperature or potential-dependent and either isotropic or orthotropic. A variety of time and temperature-dependent boundary conditions can be specified including temperature, flux, convection, and radiation. By implementing the user subroutine feature, users can model chemical reaction kinetics and allow for any type of functional representation of boundary conditions and internal heat generation. The programs can solve problems of diffuse and specular band radiation in an enclosure coupled with conduction in the material surrounding the enclosure. Additional features include thermal contact resistance across an interface, bulk fluids, phase change, and energy balances.

  7. 2D ice from first principles: structures and phase transitions

    NASA Astrophysics Data System (ADS)

    Chen, Ji; Schusteritsch, Georg; Pickard, Chris J.; Salzmann, Christoph G.; Michaelides, Angelos

    Despite relevance to disparate areas such as cloud microphysics and tribology, major gaps in the understanding of the structures and phase transitions of low-dimensional water ice remain. Here we report a first principles study of confined 2D ice as a function of pressure. We find that at ambient pressure hexagonal and pentagonal monolayer structures are the two lowest enthalpy phases identified. Upon mild compression the pentagonal structure becomes the most stable and persists up to ca. 2 GPa at which point square and rhombic phases are stable. The square phase agrees with recent experimental observations of square ice confined within graphene sheets. We also find a double layer AA stacked square ice phase, which clarifies the difference between experimental observations and earlier force field simulations. This work provides a fresh perspective on 2D confined ice, highlighting the sensitivity of the structures observed to both the confining pressure and width.

  8. 2D FEM Heat Transfer & E&M Field Code

    1992-04-02

    TOPAZ and TOPAZ2D are two-dimensional implicit finite element computer codes for heat transfer analysis. TOPAZ2D can also be used to solve electrostatic and magnetostatic problems. The programs solve for the steady-state or transient temperature or electrostatic and magnetostatic potential field on two-dimensional planar or axisymmetric geometries. Material properties may be temperature or potential-dependent and either isotropic or orthotropic. A variety of time and temperature-dependent boundary conditions can be specified including temperature, flux, convection, and radiation.more » By implementing the user subroutine feature, users can model chemical reaction kinetics and allow for any type of functional representation of boundary conditions and internal heat generation. The programs can solve problems of diffuse and specular band radiation in an enclosure coupled with conduction in the material surrounding the enclosure. Additional features include thermal contact resistance across an interface, bulk fluids, phase change, and energy balances.« less

  9. FPCAS2D user's guide, version 1.0

    NASA Astrophysics Data System (ADS)

    Bakhle, Milind A.

    1994-12-01

    The FPCAS2D computer code has been developed for aeroelastic stability analysis of bladed disks such as those in fans, compressors, turbines, propellers, or propfans. The aerodynamic analysis used in this code is based on the unsteady two-dimensional full potential equation which is solved for a cascade of blades. The structural analysis is based on a two degree-of-freedom rigid typical section model for each blade. Detailed explanations of the aerodynamic analysis, the numerical algorithms, and the aeroelastic analysis are not given in this report. This guide can be used to assist in the preparation of the input data required by the FPCAS2D code. A complete description of the input data is provided in this report. In addition, four test cases, including inputs and outputs, are provided.

  10. A 2D simulation model for urban flood management

    NASA Astrophysics Data System (ADS)

    Price, Roland; van der Wielen, Jonathan; Velickov, Slavco; Galvao, Diogo

    2014-05-01

    The European Floods Directive, which came into force on 26 November 2007, requires member states to assess all their water courses and coast lines for risk of flooding, to map flood extents and assets and humans at risk, and to take adequate and coordinated measures to reduce the flood risk in consultation with the public. Flood Risk Management Plans are to be in place by 2015. There are a number of reasons for the promotion of this Directive, not least because there has been much urban and other infrastructural development in flood plains, which puts many at risk of flooding along with vital societal assets. In addition there is growing awareness that the changing climate appears to be inducing more frequent extremes of rainfall with a consequent increases in the frequency of flooding. Thirdly, the growing urban populations in Europe, and especially in the developing countries, means that more people are being put at risk from a greater frequency of urban flooding in particular. There are urgent needs therefore to assess flood risk accurately and consistently, to reduce this risk where it is important to do so or where the benefit is greater than the damage cost, to improve flood forecasting and warning, to provide where necessary (and possible) flood insurance cover, and to involve all stakeholders in decision making affecting flood protection and flood risk management plans. Key data for assessing risk are water levels achieved or forecasted during a flood. Such levels should of course be monitored, but they also need to be predicted, whether for design or simulation. A 2D simulation model (PriceXD) solving the shallow water wave equations is presented specifically for determining flood risk, assessing flood defense schemes and generating flood forecasts and warnings. The simulation model is required to have a number of important properties: -Solve the full shallow water wave equations using a range of possible solutions; -Automatically adjust the time step and

  11. NASA High-Speed 2D Photogrammetric Measurement System

    NASA Technical Reports Server (NTRS)

    Dismond, Harriett R.

    2012-01-01

    The object of this report is to provide users of the NASA high-speed 2D photogrammetric measurement system with procedures required to obtain drop-model trajectory and impact data for full-scale and sub-scale models. This guide focuses on use of the system for vertical drop testing at the NASA Langley Landing and Impact Research (LandIR) Facility.

  12. Synchronization of semiconductor laser arrays with 2D Bragg structures

    NASA Astrophysics Data System (ADS)

    Baryshev, V. R.; Ginzburg, N. S.

    2016-08-01

    A model of a planar semiconductor multi-channel laser is developed. In this model two-dimensional (2D) Bragg mirror structures are used for synchronizing radiation of multiple laser channels. Coupling of longitudinal and transverse waves can be mentioned as the distinguishing feature of these structures. Synchronization of 20 laser channels is demonstrated with a semi-classical approach based on Maxwell-Bloch equations.

  13. Valley and electric photocurrents in 2D silicon and graphene

    SciTech Connect

    Tarasenko, S. A.; Ivchenko, E. L.; Olbrich, P.; Ganichev, S. D.

    2013-12-04

    We show that the optical excitation of multi-valley systems leads to valley currents which depend on the light polarization. The net electric current, determined by the vector sum of single-valley contributions, vanishes for some peculiar distributions of carriers in the valley and momentum spaces forming a pure valley current. We report on the study of this phenomenon, both experimental and theoretical, for graphene and 2D electron channels on the silicon surface.

  14. Flow transitions in a 2D directional solidification model

    NASA Technical Reports Server (NTRS)

    Larroude, Philippe; Ouazzani, Jalil; Alexander, J. Iwan D.

    1992-01-01

    Flow transitions in a Two Dimensional (2D) model of crystal growth were examined using the Bridgman-Stockbarger me thod. Using a pseudo-spectral Chebyshev collocation method, the governing equations yield solutions which exhibit a symmetry breaking flow tansition and oscillatory behavior indicative of a Hopf bifurcation at higher values of Ra. The results are discussed from fluid dynamic viewpoint, and broader implications for process models are also addressed.

  15. Improving VERITAS sensitivity by fitting 2D Gaussian image parameters

    NASA Astrophysics Data System (ADS)

    Christiansen, Jodi; VERITAS Collaboration

    2012-12-01

    Our goal is to improve the acceptance and angular resolution of VERITAS by implementing a camera image-fitting algorithm. Elliptical image parameters are extracted from 2D Gaussian distribution fits using a χ2 minimization instead of the standard technique based on the principle moments of an island of pixels above threshold. We optimize the analysis cuts and then characterize the improvements using simulations. We find an improvement of 20% less observing time to reach 5-sigma for weak point sources.

  16. Fermi liquid parameters of a 2D 3He film

    NASA Astrophysics Data System (ADS)

    Lusher, C. P.; Saunders, J.; Cowan, B. P.

    1990-08-01

    A temperature independent magnetic susceptibility has been observed for the second layer of 3He on graphite for second layer surface densities less than 0.055 Å -2, consistent with 2D Fermi liquid behaviour. The Landau parameter Foa is determined using known values of m ∗/m. The relative dependence of these two parameters is in good agreement with almost localised Fermion theory, as is the case in bulk liquid 3He.

  17. Energy level transitions of gas in a 2D nanopore

    SciTech Connect

    Grinyaev, Yurii V.; Chertova, Nadezhda V.; Psakhie, Sergei G.

    2015-10-27

    An analytical study of gas behavior in a 2D nanopore was performed. It is shown that the temperature dependence of gas energy can be stepwise due to transitions from one size-quantized subband to another. Taking into account quantum size effects results in energy level transitions governed by the nanopore size, temperature and gas density. This effect leads to an abrupt change of gas heat capacity in the nanopore at the above varying system parameters.

  18. CBEAM. 2-D: a two-dimensional beam field code

    SciTech Connect

    Dreyer, K.A.

    1985-05-01

    CBEAM.2-D is a two-dimensional solution of Maxwell's equations for the case of an electron beam propagating through an air medium. Solutions are performed in the beam-retarded time frame. Conductivity is calculated self-consistently with field equations, allowing sophisticated dependence of plasma parameters to be handled. A unique feature of the code is that it is implemented on an IBM PC microcomputer in the BASIC language. Consequently, it should be available to a wide audience.

  19. An inverse design method for 2D airfoil

    NASA Astrophysics Data System (ADS)

    Liang, Zhi-Yong; Cui, Peng; Zhang, Gen-Bao

    2010-03-01

    The computational method for aerodynamic design of aircraft is applied more universally than before, in which the design of an airfoil is a hot problem. The forward problem is discussed by most relative papers, but inverse method is more useful in practical designs. In this paper, the inverse design of 2D airfoil was investigated. A finite element method based on the variational principle was used for carrying out. Through the simulation, it was shown that the method was fit for the design.

  20. The Kubo-Greenwood expression and 2d MIT transport

    NASA Astrophysics Data System (ADS)

    Castner, Theodore

    2010-03-01

    The 2d MIT in GaAs heterostructures (p- and n-type)features a mobility that drops continuously as the reduced density x= n/nc-1 is decreased. The Kubo-Greenwood result [1] predicts μ = (eɛh/hnc)α^2(x) where α is a normalized DOS. α(x)is obtained from the data [p-type, Gao et al. [2]; n-type Lilly et al. [3

  1. 2D and 3D Traveling Salesman Problem

    ERIC Educational Resources Information Center

    Haxhimusa, Yll; Carpenter, Edward; Catrambone, Joseph; Foldes, David; Stefanov, Emil; Arns, Laura; Pizlo, Zygmunt

    2011-01-01

    When a two-dimensional (2D) traveling salesman problem (TSP) is presented on a computer screen, human subjects can produce near-optimal tours in linear time. In this study we tested human performance on a real and virtual floor, as well as in a three-dimensional (3D) virtual space. Human performance on the real floor is as good as that on a…

  2. F-theory and 2d (0, 2) theories

    NASA Astrophysics Data System (ADS)

    Schäfer-Nameki, Sakura; Weigand, Timo

    2016-05-01

    F-theory compactified on singular, elliptically fibered Calabi-Yau five-folds gives rise to two-dimensional gauge theories preserving N = (0 , 2) supersymmetry. In this paper we initiate the study of such compactifications and determine the dictionary between the geometric data of the elliptic fibration and the 2d gauge theory such as the matter content in terms of (0 , 2) superfields and their supersymmetric couplings. We study this setup both from a gauge-theoretic point of view, in terms of the partially twisted 7-brane theory, and provide a global geometric description based on the structure of the elliptic fibration and its singularities. Global consistency conditions are determined and checked against the dual M-theory compactification to one dimension. This includes a discussion of gauge anomalies, the structure of the Green-Schwarz terms and the Chern-Simons couplings in the dual M-theory supersymmetric quantum mechanics. Furthermore, by interpreting the resulting 2d (0 , 2) theories as heterotic worldsheet theories, we propose a correspondence between the geometric data of elliptically fibered Calabi-Yau five-folds and the target space of a heterotic gauged linear sigma-model (GLSM). In particular the correspondence between the Landau-Ginsburg and sigma-model phase of a 2d (0 , 2) GLSM is realized via different T-branes or gluing data in F-theory.

  3. Dopamine D2/D3 receptor availability and venturesomeness.

    PubMed

    Bernow, Nina; Yakushev, Igor; Landvogt, Christian; Buchholz, Hans-Georg; Smolka, Michael N; Bartenstein, Peter; Lieb, Klaus; Gründer, Gerhard; Vernaleken, Ingo; Schreckenberger, Mathias; Fehr, Christoph

    2011-08-30

    The construct of impulsivity is considered as a major trait of personality. There is growing evidence that the mesolimbic dopamine system plays an important role in the modulation of impulsivity and venturesomeness, the two key components within the impulsivity-construct. The aim of the present study was to explore an association between trait impulsivity measured with self-assessment and the dopaminergic neurotransmission as measured by positron emission tomography (PET) in a cohort of healthy male subjects. In vivo D2/D3 receptor availability was determined with [(18)F]fallypride PET in 18 non-smoking healthy subjects. The character trait impulsivity was measured using the Impulsiveness-Venturesomeness-Empathy questionnaire (I7). Image processing and statistical analysis was performed on a voxel-by-voxel basis using statistical parametric mapping (SPM) software. The I7 subscale venturesomeness correlated positively with the D2/D3 receptor availability within the left temporal cortex and the thalamus. Measures on the I7 subscale impulsiveness and empathy did not correlate with the D2/D3 receptor availability in any brain region investigated. Our results suggest the involvement of extrastriatal dopaminergic neurotransmission in venturesomeness, a component of impulsivity. PMID:21689908

  4. Wide-Field H2D+ Observations of Starless Cores

    NASA Astrophysics Data System (ADS)

    Di Francesco, James; Friesen, R.; Caselli, P.; Myers, P. C.; van der Tak, F. F. S.; Ceccarelli, C.

    2009-01-01

    In recent years, isolated starless cores have been revealed to have significant chemical differentiation with very low abundances of carbon-bearing molecules (such as CO and its isotopologues) in their cold, dense interiors. The inner regions of such cores, however, may be quite interesting, e.g., if contraction or collapse begins there. To explore these regions, we present detections of six isolated starless cores in the 110-111 line of H2D+ at 372 GHz using the new HARP instrument at the James Clerk Maxwell Telescope. Since the detection of this line requires very dry conditions on Mauna Kea (i.e., κ(225 GHz) < 0.05), only a multi-beam receiver system like the 4 X 4 HARP array can locate H2D+ emission across such cores in a practical amount of observing time. In all cases, the brightest line emission is coincident with the local peak of submillimeter continuum emission, but significant H2D+ emission is detected offset from the continuum peak in some. In addition, we describe the thermal and turbulent velocity fields in these cores revealed by these lines.

  5. Photonic crystal based 2D integrating cell for sensing applications

    NASA Astrophysics Data System (ADS)

    Fohrmann, Lena Simone; Petrov, Alexander Y.; Sommer, Gerrit; Krauss, Thomas; Eich, Manfred

    2016-04-01

    We present a concept of a silicon slab based 2D integrating cell where photonic crystal (PhC) reflectors are used in order to confine light in a two-dimensional area to acquire a long propagation length. The evanescent field of the guided wave can be used for sensing applications. We use FDTD simulations to investigate the dependence of the reflectivity of photonic crystal mirrors with a hexagonal lattice. The reflectivity in ΓM direction demonstrates reduced vertical losses compared to the ΓK direction and can be further improved by adiabatically tapering the hole radii of the photonic crystal. A small hexagonal 2D integrating cell was studied with PhC boundaries oriented in ΓM and ΓK direction. It is shown that average reflectivities of 99% can be obtained in a rectangular 2D cell with optimized reflector design, limited only by residual vertical scattering losses at the PhC boundary. This reflectivity is already comparable to the best metallic reflectors.

  6. Broadband THz Spectroscopy of 2D Nanoscale Materials

    NASA Astrophysics Data System (ADS)

    Chen, Lu; Tripathi, Shivendra; Huang, Mengchen; Hsu, Jen-Feng; D'Urso, Brian; Lee, Hyungwoo; Eom, Chang-Beom; Irvin, Patrick; Levy, Jeremy

    Two-dimensional (2D) materials such as graphene and transition-metal dichalcogenides (TMDC) have attracted intense research interest in the past decade. Their unique electronic and optical properties offer the promise of novel optoelectronic applications in the terahertz regime. Recently, generation and detection of broadband terahertz (10 THz bandwidth) emission from 10-nm-scale LaAlO3/SrTiO3 nanostructures created by conductive atomic force microscope (c-AFM) lithography has been demonstrated . This unprecedented control of THz emission at 10 nm length scales creates a pathway toward hybrid THz functionality in 2D-material/LaAlO3/SrTiO3 heterostructures. Here we report initial efforts in THz spectroscopy of 2D nanoscale materials with resolution comparable to the dimensions of the nanowire (10 nm). Systems under investigation include graphene, single-layer molybdenum disulfide (MoS2), and tungsten diselenide (WSe2) nanoflakes. 1. Y. Ma, et al., Nano Lett. 13, 2884 (2013). We gratefully acknowledge financial support from the following agencies and grants: AFOSR (FA9550-12-1-0268 (JL, PRI), FA9550-12-1-0342 (CBE)), ONR (N00014-13-1-0806 (JL, CBE), N00014-15-1-2847 (JL)), NSF DMR-1124131 (JL, CBE) and DMR-1234096 (CBE).

  7. A 2-D ECE Imaging Diagnostic for TEXTOR

    NASA Astrophysics Data System (ADS)

    Wang, J.; Deng, B. H.; Domier, C. W.; Luhmann, H. Lu, Jr.

    2002-11-01

    A true 2-D extension to the UC Davis ECE Imaging (ECEI) concept is under development for installation on the TEXTOR tokamak in 2003. This combines the use of linear arrays with multichannel conventional wideband heterodyne ECE radiometers to provide a true 2-D imaging system. This is in contrast to current 1-D ECEI systems in which 2-D images are obtained through the use of multiple plasma discharges (varying the scanned emission frequency each discharge). Here, each array element of the 20 channel mixer array measures plasma emission at 16 simultaneous frequencies to form a 16x20 image of the plasma electron temperature Te. Correlation techniques can then be applied to any pair of the 320 image elements to study both radial and poloidal characteristics of turbulent Te fluctuations. The system relies strongly on the development of low cost, wideband (2-18 GHz) IF detection electronics for use in both ECE Imaging as well as conventional heterodyne ECE radiometry. System details, with a strong focus on the wideband IF electronics development, will be presented. *Supported by U.S. DoE Contracts DE-FG03-95ER54295 and DE-FG03-99ER54531.

  8. An Intercomparison of 2-D Models Within a Common Framework

    NASA Technical Reports Server (NTRS)

    Weisenstein, Debra K.; Ko, Malcolm K. W.; Scott, Courtney J.; Jackman, Charles H.; Fleming, Eric L.; Considine, David B.; Kinnison, Douglas E.; Connell, Peter S.; Rotman, Douglas A.; Bhartia, P. K. (Technical Monitor)

    2002-01-01

    A model intercomparison among the Atmospheric and Environmental Research (AER) 2-D model, the Goddard Space Flight Center (GSFC) 2-D model, and the Lawrence Livermore National Laboratory 2-D model allows us to separate differences due to model transport from those due to the model's chemical formulation. This is accomplished by constructing two hybrid models incorporating the transport parameters of the GSFC and LLNL models within the AER model framework. By comparing the results from the native models (AER and e.g. GSFC) with those from the hybrid model (e.g. AER chemistry with GSFC transport), differences due to chemistry and transport can be identified. For the analysis, we examined an inert tracer whose emission pattern is based on emission from a High Speed Civil Transport (HSCT) fleet; distributions of trace species in the 2015 atmosphere; and the response of stratospheric ozone to an HSCT fleet. Differences in NO(y) in the upper stratosphere are found between models with identical transport, implying different model representations of atmospheric chemical processes. The response of O3 concentration to HSCT aircraft emissions differs in the models from both transport-dominated differences in the HSCT-induced perturbations of H2O and NO(y) as well as from differences in the model represent at ions of O3 chemical processes. The model formulations of cold polar processes are found to be the most significant factor in creating large differences in the calculated ozone perturbations

  9. Design Application Translates 2-D Graphics to 3-D Surfaces

    NASA Technical Reports Server (NTRS)

    2007-01-01

    Fabric Images Inc., specializing in the printing and manufacturing of fabric tension architecture for the retail, museum, and exhibit/tradeshow communities, designed software to translate 2-D graphics for 3-D surfaces prior to print production. Fabric Images' fabric-flattening design process models a 3-D surface based on computer-aided design (CAD) specifications. The surface geometry of the model is used to form a 2-D template, similar to a flattening process developed by NASA's Glenn Research Center. This template or pattern is then applied in the development of a 2-D graphic layout. Benefits of this process include 11.5 percent time savings per project, less material wasted, and the ability to improve upon graphic techniques and offer new design services. Partners include Exhibitgroup/Giltspur (end-user client: TAC Air, a division of Truman Arnold Companies Inc.), Jack Morton Worldwide (end-user client: Nickelodeon), as well as 3D Exhibits Inc., and MG Design Associates Corp.

  10. Autistic Features in Girls from a Psychiatric Sample Are Strongly Associated with a Low 2D:4D Ratio

    ERIC Educational Resources Information Center

    De Bruin, Esther I.; De Nijs, Pieter F. A.; Verheij, Fop; Verhagen, Debora H.; Ferdinand, Robert F.

    2009-01-01

    Autistic features such as deficits in social interactions and communication have been associated with a low 2D:4D ratio in normal children.This study assessed this association in a large sample of children with a variety of psychiatric disorders (n = 35 girls and n = 147 boys). Autistic features were assessed with a highly valid and reliable…

  11. Cytochrome P450-2D6 Screening Among Elderly Using Antidepressants (CYSCE)

    ClinicalTrials.gov

    2016-10-24

    Depression; Depressive Disorder; Poor Metabolizer Due to Cytochrome P450 CYP2D6 Variant; Intermediate Metabolizer Due to Cytochrome P450 CYP2D6 Variant; Ultrarapid Metabolizer Due to Cytochrome P450 CYP2D6 Variant

  12. A semi-automatic 2D-to-3D video conversion with adaptive key-frame selection

    NASA Astrophysics Data System (ADS)

    Ju, Kuanyu; Xiong, Hongkai

    2014-11-01

    To compensate the deficit of 3D content, 2D to 3D video conversion (2D-to-3D) has recently attracted more attention from both industrial and academic communities. The semi-automatic 2D-to-3D conversion which estimates corresponding depth of non-key-frames through key-frames is more desirable owing to its advantage of balancing labor cost and 3D effects. The location of key-frames plays a role on quality of depth propagation. This paper proposes a semi-automatic 2D-to-3D scheme with adaptive key-frame selection to keep temporal continuity more reliable and reduce the depth propagation errors caused by occlusion. The potential key-frames would be localized in terms of clustered color variation and motion intensity. The distance of key-frame interval is also taken into account to keep the accumulated propagation errors under control and guarantee minimal user interaction. Once their depth maps are aligned with user interaction, the non-key-frames depth maps would be automatically propagated by shifted bilateral filtering. Considering that depth of objects may change due to the objects motion or camera zoom in/out effect, a bi-directional depth propagation scheme is adopted where a non-key frame is interpolated from two adjacent key frames. The experimental results show that the proposed scheme has better performance than existing 2D-to-3D scheme with fixed key-frame interval.

  13. Investigation on the spectral properties of 2D asynchronous fluorescence spectra generated by using variable excitation wavelengths as a perturbation

    NASA Astrophysics Data System (ADS)

    Wang, Jingdan; He, Anqi; Guo, Ran; Wei, Yongju; Feng, Juan; Xu, Yizhuang; Noda, Isao; Wu, Jinguang

    2016-11-01

    Properties of 2D asynchronous spectra generated from a series of fluorescence emission spectra are investigated. Variable excitation wavelengths are utilized as an external perturbation. Based on the results of mathematical analysis and computer simulation, we find that no cross peak will be produced on the 2D asynchronous spectrum if the fluorescent solute under investigation occurs in a single micro-environment. The observation of cross peaks implies that the fluorescent molecule may occur in different micro-environments in a solution. Based on these results, we use 2D asynchronous spectra to investigate the emission spectra of anthracene dissolved in cyclohexane. When the concentration of anthracene is low, no cross peak is produced in the resultant 2D asynchronous spectrum, confirming that anthracene is dissolved as single molecule in the solution. As the concentration elevated, cross peaks appear in the corresponding 2D asynchronous spectra. A plausible explanation of this phenomenon is that anthracene may undergo aggregation via π-π interaction or π-C-H interaction.

  14. Simulation of 2D Fields of Raindrop Size Distributions

    NASA Astrophysics Data System (ADS)

    Berne, A.; Schleiss, M.; Uijlenhoet, R.

    2008-12-01

    The raindrop size distribution (DSD hereafter) is of primary importance for quantitative applications of weather radar measurements. The radar reflectivity~Z (directly measured by radar) is related to the power backscattered by the ensemble of hydrometeors within the radar sampling volume. However, the rain rate~R (the flux of water to the surface) is the variable of interest for many applications (hydrology, weather forecasting, air traffic for example). Usually, radar reflectivity is converted into rain rate using a power law such as Z=aRb. The coefficients a and b of the Z-R relationship depend on the DSD. The variability of the DSD in space and time has to be taken into account to improve radar rain rate estimates. Therefore, the ability to generate a large number of 2D fields of DSD which are statistically homogeneous provides a very useful simulation framework that nicely complements experimental approaches based on DSD data, in order to investigate radar beam propagation through rain as well as radar retrieval techniques. The proposed approach is based on geostatistics for structural analysis and stochastic simulation. First, the DSD is assumed to follow a gamma distribution. Hence a 2D field of DSDs can be adequately described as a 2D field of a multivariate random function consisting of the three DSD parameters. Such fields are simulated by combining a Gaussian anamorphosis and a multivariate Gaussian random field simulation algorithm. Using the (cross-)variogram models fitted on data guaranties that the spatial structure of the simulated fields is consistent with the observed one. To assess its validity, the proposed method is applied to data collected during intense Mediterranean rainfall. As only time series are available, Taylor's hypothesis is assumed to convert time series in 1D range profile. Moreover, DSD fields are assumed to be isotropic so that the 1D structure can be used to simulate 2D fields. A large number of 2D fields of DSD parameters are

  15. Raman 2D response of graphene in hBN sandwich as a function of doping

    NASA Astrophysics Data System (ADS)

    Wang, Xuanye; Christopher, Jason; Swan, Anna

    Graphene on SiO2 is plagued by accidental strain and charge doping which cause significant deterioration in electrical, thermal and optical properties. The stacking of Van der Waals layers can not only provide better properties, e.g., electrical mobility, but can also be used for novel interactions between layers. Here we use gated and contacted hBN-graphene-hBN heterostructures to calibrate the 2D Raman response to doping, particularly the low doping region less than 1 ×1012 cm-2 . This will enable the use of the correlation between Raman G and 2D band to determine effects from doping and strain or compression separately. The dielectric environment of hBN as compared to SiO2 affects the phonon dispersion and the Fermi velocity which results in approximately 7 cm-1 blue shift in 2D band per side of graphene contacted with hBN. Charge dependent Raman measurements of the G band provide the means to determine the electron-phonon coupling and the Fermi velocity for graphene in an hBN sandwich. NSF DMR 1411008.

  16. Evidence for a New Intermediate Phase in a Strongly Correlated 2D System near Wigner Crystallization

    NASA Astrophysics Data System (ADS)

    Gao, Xuan; Qiu, Richard; Goble, Nicholas; Serafin, Alex; Yin, Liang; Xia, Jian-Sheng; Sullivan, Neil; Pfeiffer, Loren; West, Ken

    How the two dimensional (2D) quantum Wigner crystal (WC) transforms into the metallic liquid phase remains an outstanding problem in physics. In theories considering the 2D WC to liquid transition in the clean limit, it was suggested that a number of intermediate phases might exist. We have studied the transformation between the metallic fluid phase and the low magnetic field reentrant insulating phase (RIP) which was interpreted as due to the WC [Qiu et al., PRL 108, 106404 (2012)], in a strongly correlated 2D hole system in GaAs quantum well with large interaction parameter rs (~20-30) and high mobility. Instead of a sharp transition, we found that increasing density (or lowering rs) drives the RIP into a state where the incipient RIP coexists with Fermi liquid. This apparent mixture phase intermediate between Fermi liquid and WC also exhibits a non-trivial temperature dependent resistivity behavior which can be qualitatively understood by the reversed melting of WC in the mixture, in analogy to the Pomeranchuk effect in the solid-liquid mixture of Helium-3. X.G. thanks NSF (DMR-0906415) for supporting work at CWRU. Experiments at the NHMFL High B/T Facility were supported by NSF Grant 0654118 and the State of Florida. L.P. thanks the Gordon and Betty Moore Foundation and NSF MRSEC (DMR-0819860) for support.

  17. Amide I'-II' 2D IR spectroscopy provides enhanced protein secondary structural sensitivity.

    PubMed

    Deflores, Lauren P; Ganim, Ziad; Nicodemus, Rebecca A; Tokmakoff, Andrei

    2009-03-11

    We demonstrate how multimode 2D IR spectroscopy of the protein amide I' and II' vibrations can be used to distinguish protein secondary structure. Polarization-dependent amide I'-II' 2D IR experiments on poly-l-lysine in the beta-sheet, alpha-helix, and random coil conformations show that a combination of amide I' and II' diagonal and cross peaks can effectively distinguish between secondary structural content, where amide I' infrared spectroscopy alone cannot. The enhanced sensitivity arises from frequency and amplitude correlations between amide II' and amide I' spectra that reflect the symmetry of secondary structures. 2D IR surfaces are used to parametrize an excitonic model for the amide I'-II' manifold suitable to predict protein amide I'-II' spectra. This model reveals that the dominant vibrational interaction contributing to this sensitivity is a combination of negative amide II'-II' through-bond coupling and amide I'-II' coupling within the peptide unit. The empirically determined amide II'-II' couplings do not significantly vary with secondary structure: -8.5 cm(-1) for the beta sheet, -8.7 cm(-1) for the alpha helix, and -5 cm(-1) for the coil.

  18. Membrane proteins: functional and structural studies using reconstituted proteoliposomes and 2-D crystals.

    PubMed

    Rigaud, J-L

    2002-07-01

    Reconstitution of membrane proteins into lipid bilayers is a powerful tool to analyze functional as well as structural areas of membrane protein research. First, the proper incorporation of a purified membrane protein into closed lipid vesicles, to produce proteoliposomes, allows the investigation of transport and/or catalytic properties of any membrane protein without interference by other membrane components. Second, the incorporation of a large amount of membrane proteins into lipid bilayers to grow crystals confined to two dimensions has recently opened a new way to solve their structure at high resolution using electron crystallography. However, reconstitution of membrane proteins into functional proteoliposomes or 2-D crystallization has been an empirical domain, which has been viewed for a long time more like "black magic" than science. Nevertheless, in the last ten years, important progress has been made in acquiring knowledge of lipid-protein-detergent interactions and has permitted to build upon a set of basic principles that has limited the empirical approach of reconstitution experiments. Reconstitution strategies have been improved and new strategies have been developed, facilitating the success rate of proteoliposome formation and 2-D crystallization. This review deals with the various strategies available to obtain proteoliposomes and 2-D crystals from detergent-solubilized proteins. It gives an overview of the methods that have been applied, which may be of help for reconstituting more proteins into lipid bilayers in a form suitable for functional studies at the molecular level and for high-resolution structural analysis.

  19. Topological Odd-Parity Superconductivity Close to Type-II 2D Van Hove Singularities

    NASA Astrophysics Data System (ADS)

    Yao, Hong; Yang, Fan

    2014-03-01

    We study unconventional superconductivity induced by weak repulsive interactions in 2D electronic systems at Van Hove singularity (VHS) where electronic density of states is logarithmically divergent. We define two types of VH saddle points. For type-I VH systems, weak repulsive interactions generically induce unconventional singlet pairing. However and more interestingly, for type-II VH systems renormalization group treatment shows that weak repulsive interactions favor triplet pairing (e.g. p-wave) when the Fermi surface has no good nesting. When such type-II VH systems respecting tetragonal or hexagonal point group symmetry, topological superconductivity (chiral p +ip or time reversal invariant Z2 p +ip pairing) will generally occur. We shall also discuss implications of this study to recently discovered BiS2-based superconductors and other superconducting materials that host type-II VH singularities in their Fermi surfaces.

  20. Band Engineering by Controlling vdW Epitaxy Growth Mode in 2D Gallium Chalcogenides.

    PubMed

    Cai, Hui; Soignard, Emmanuel; Ataca, Can; Chen, Bin; Ko, Changhyun; Aoki, Toshihiro; Pant, Anupum; Meng, Xiuqing; Yang, Shengxue; Grossman, Jeffrey; Ogletree, Frank D; Tongay, Sefaattin

    2016-09-01

    Atomically thin quasi-2D GaSe flakes are synthesized via van der Waals (vdW) epitaxy on a polar Si (111) surface. The bandgap is continuously tuned from its commonly accepted value at 620 down to the 700 nm range, only attained previously by alloying Te into GaSe (GaSex Te1- x ). This is accomplished by manipulating various vdW epitaxy kinetic factors, which allows the choice bet ween screw-dislocation-driven and layer-bylayer growth, and the design of different morphologies with different material-substrate interaction (strain) energies. PMID:27271214

  1. 2D-CELL: image processing software for extraction and analysis of 2-dimensional cellular structures

    NASA Astrophysics Data System (ADS)

    Righetti, F.; Telley, H.; Leibling, Th. M.; Mocellin, A.

    1992-01-01

    2D-CELL is a software package for the processing and analyzing of photographic images of cellular structures in a largely interactive way. Starting from a binary digitized image, the programs extract the line network (skeleton) of the structure and determine the graph representation that best models it. Provision is made for manually correcting defects such as incorrect node positions or dangling bonds. Then a suitable algorithm retrieves polygonal contours which define individual cells — local boundary curvatures are neglected for simplicity. Using elementary analytical geometry relations, a range of metric and topological parameters describing the population are then computed, organized into statistical distributions and graphically displayed.

  2. Numerical studies of the melting transition in 2D Yukawa systems

    SciTech Connect

    Hartmann, P.; Donko, Z.; Kalman, G. J.

    2008-09-07

    We present the latest results of our systematic studies of the solid--liquid phase transition in 2D classical many-particle systems interacting with the Yukawa potential. Our previous work is extended by applying the molecular dynamic simulations to systems with up to 1.6 million particles in the computational box (for {kappa} = 2 case). Equilibrium simulations are performed for different coupling parameters in the vicinity of the expected melting transition ({gamma}{sub m}{sup {kappa}}{sup ={sup 2}}{approx_equal}415) and a wide range of observables are averaged over uncorrelated samples of the micro-canonical ensemble generated by the simulations.

  3. 2D OR NOT 2D: THE EFFECT OF DIMENSIONALITY ON THE DYNAMICS OF FINGERING CONVECTION AT LOW PRANDTL NUMBER

    SciTech Connect

    Garaud, Pascale; Brummell, Nicholas

    2015-12-10

    Fingering convection (otherwise known as thermohaline convection) is an instability that occurs in stellar radiative interiors in the presence of unstable compositional gradients. Numerical simulations have been used in order to estimate the efficiency of mixing induced by this instability. However, fully three-dimensional (3D) computations in the parameter regime appropriate for stellar astrophysics (i.e., low Prandtl number) are prohibitively expensive. This raises the question of whether two-dimensional (2D) simulations could be used instead to achieve the same goals. In this work, we address this issue by comparing the outcome of 2D and 3D simulations of fingering convection at low Prandtl number. We find that 2D simulations are never appropriate. However, we also find that the required 3D computational domain does not have to be very wide: the third dimension only needs to contain a minimum of two wavelengths of the fastest-growing linearly unstable mode to capture the essentially 3D dynamics of small-scale fingering. Narrow domains, however, should still be used with caution since they could limit the subsequent development of any large-scale dynamics typically associated with fingering convection.

  4. Solution conformation of 2-aminopurine (2-AP) dinucleotide determined by ultraviolet 2D fluorescence spectroscopy (UV-2D FS)

    PubMed Central

    Widom, Julia R.; Johnson, Neil P.; von Hippel, Peter H.; Marcus, Andrew H.

    2013-01-01

    We have observed the conformation-dependent electronic coupling between the monomeric subunits of a dinucleotide of 2-aminopurine (2-AP), a fluorescent analog of the nucleic acid base adenine. This was accomplished by extending two-dimensional fluorescence spectroscopy (2D FS) – a fluorescence-detected variation of 2D electronic spectroscopy – to excite molecular transitions in the ultraviolet (UV) regime. A collinear sequence of four ultrafast laser pulses centered at 323 nm was used to resonantly excite the coupled transitions of 2-AP dinucleotide. The phases of the optical pulses were continuously swept at kilohertz frequencies, and the ensuing nonlinear fluorescence was phase-synchronously detected at 370 nm. Upon optimization of a point-dipole coupling model to our data, we found that in aqueous buffer the 2-AP dinucleotide adopts an average conformation in which the purine bases are non-helically stacked (center-to-center distance R12 = 3.5 Å ± 0.5 Å, twist angle θ12 = 5° ± 5°), which differs from the conformation of such adjacent bases in duplex DNA. These experiments establish UV-2D FS as a method for examining the local conformations of an adjacent pair of fluorescent nucleotides substituted into specific DNA or RNA constructs, which will serve as a powerful probe to interpret, in structural terms, biologically significant local conformational changes within the nucleic acid framework of protein-nucleic acid complexes. PMID:24223491

  5. 2D or Not 2D: The Effect of Dimensionality on the Dynamics of Fingering Convection at Low Prandtl Number

    NASA Astrophysics Data System (ADS)

    Garaud, Pascale; Brummell, Nicholas

    2015-12-01

    Fingering convection (otherwise known as thermohaline convection) is an instability that occurs in stellar radiative interiors in the presence of unstable compositional gradients. Numerical simulations have been used in order to estimate the efficiency of mixing induced by this instability. However, fully three-dimensional (3D) computations in the parameter regime appropriate for stellar astrophysics (i.e., low Prandtl number) are prohibitively expensive. This raises the question of whether two-dimensional (2D) simulations could be used instead to achieve the same goals. In this work, we address this issue by comparing the outcome of 2D and 3D simulations of fingering convection at low Prandtl number. We find that 2D simulations are never appropriate. However, we also find that the required 3D computational domain does not have to be very wide: the third dimension only needs to contain a minimum of two wavelengths of the fastest-growing linearly unstable mode to capture the essentially 3D dynamics of small-scale fingering. Narrow domains, however, should still be used with caution since they could limit the subsequent development of any large-scale dynamics typically associated with fingering convection.

  6. Tuning the surface charge of graphene for self-assembly synthesis of a SnNb2O6 nanosheet-graphene (2D-2D) nanocomposite with enhanced visible light photoactivity

    NASA Astrophysics Data System (ADS)

    Yuan, Lan; Yang, Min-Quan; Xu, Yi-Jun

    2014-05-01

    A two-dimensional (2D) SnNb2O6 nanosheet-graphene (SnNb2O6-GR) nanocomposite featuring a typical 2D-2D structure has been synthesized via a simple surface charge modified self-assembly approach. The method is afforded by electrostatic attractive interaction between negatively charged SnNb2O6 nanosheets and modified graphene nanosheets with a positively charged surface in an aqueous solution. The SnNb2O6-GR nanocomposite exhibits a distinctly enhanced visible light photocatalytic performance toward degradation of organic dye in water as compared to blank SnNb2O6 nanosheets. The enhanced photoactivity is attributed to the integrated factors of the intimate interfacial contact and unique 2D-2D morphology associated with SnNbO6 and GR, which are beneficial for harnessing the electron conductivity of GR, facilitating the transfer and separation of photogenerated charge carriers over SnNbO6-GR upon visible light irradiation, and thereby contributing to the photoactivity enhancement. It is hoped that this work could enrich the facile, efficient fabrication of various 2D-2D semiconductor nanosheet-graphene composite photocatalysts toward target photocatalytic applications.A two-dimensional (2D) SnNb2O6 nanosheet-graphene (SnNb2O6-GR) nanocomposite featuring a typical 2D-2D structure has been synthesized via a simple surface charge modified self-assembly approach. The method is afforded by electrostatic attractive interaction between negatively charged SnNb2O6 nanosheets and modified graphene nanosheets with a positively charged surface in an aqueous solution. The SnNb2O6-GR nanocomposite exhibits a distinctly enhanced visible light photocatalytic performance toward degradation of organic dye in water as compared to blank SnNb2O6 nanosheets. The enhanced photoactivity is attributed to the integrated factors of the intimate interfacial contact and unique 2D-2D morphology associated with SnNbO6 and GR, which are beneficial for harnessing the electron conductivity of GR

  7. Cloning and characterization of a novel human phosphatidic acid phosphatase type 2, PAP2d, with two different transcripts PAP2d_v1 and PAP2d_v2.

    PubMed

    Sun, Liyun; Gu, Shaohua; Sun, Yaqiong; Zheng, Dan; Wu, Qihan; Li, Xin; Dai, Jianfeng; Dai, Jianliang; Ji, Chaoneng; Xie, Yi; Mao, Yumin

    2005-04-01

    This study reports the cloning and characterization of a novel human phosphatidic acid phosphatase type 2 isoform cDNAs (PAP2d) from the foetal brain cDNA library. The PAP2d gene is localized on chromosome 1p21.3. It contains six exons and spans 112 kb of the genomic DNA. By large-scale cDNA sequencing we found two splice variants of PAP2d, PAP2d_v1 and PAP2d_v2. The PAP2d_v1 cDNA is 1722 bp in length and spans an open reading frame from nucleotide 56 to 1021, encoding a 321aa protein. The PAP2d_v2 cDNA is 1707 bp in length encoding a 316aa protein from nucleotide 56-1006. The PAP2d_v1 cDNA is 15 bp longer than the PAP2d_v2 cDNA in the terminal of the fifth exon and it creates different ORF. Both of the proteins contain a well-conserved PAP2 motif. The PAP2d_v1 is mainly expressed in human brain, lung, kidney, testis and colon, while PAP2d_v2 is restricted to human placenta, skeletal muscle, and kidney. The two splice variants are co-expressed only in kidney. PMID:16010976

  8. Cloning and characterization of a novel human phosphatidic acid phosphatase type 2, PAP2d, with two different transcripts PAP2d_v1 and PAP2d_v2.

    PubMed

    Sun, Liyun; Gu, Shaohua; Sun, Yaqiong; Zheng, Dan; Wu, Qihan; Li, Xin; Dai, Jianfeng; Dai, Jianliang; Ji, Chaoneng; Xie, Yi; Mao, Yumin

    2005-04-01

    This study reports the cloning and characterization of a novel human phosphatidic acid phosphatase type 2 isoform cDNAs (PAP2d) from the foetal brain cDNA library. The PAP2d gene is localized on chromosome 1p21.3. It contains six exons and spans 112 kb of the genomic DNA. By large-scale cDNA sequencing we found two splice variants of PAP2d, PAP2d_v1 and PAP2d_v2. The PAP2d_v1 cDNA is 1722 bp in length and spans an open reading frame from nucleotide 56 to 1021, encoding a 321aa protein. The PAP2d_v2 cDNA is 1707 bp in length encoding a 316aa protein from nucleotide 56-1006. The PAP2d_v1 cDNA is 15 bp longer than the PAP2d_v2 cDNA in the terminal of the fifth exon and it creates different ORF. Both of the proteins contain a well-conserved PAP2 motif. The PAP2d_v1 is mainly expressed in human brain, lung, kidney, testis and colon, while PAP2d_v2 is restricted to human placenta, skeletal muscle, and kidney. The two splice variants are co-expressed only in kidney.

  9. 2D Seismic Reflection Data across Central Illinois

    SciTech Connect

    Smith, Valerie; Leetaru, Hannes

    2014-09-30

    In a continuing collaboration with the Midwest Geologic Sequestration Consortium (MGSC) on the Evaluation of the Carbon Sequestration Potential of the Cambro-Ordovician Strata of the Illinois and Michigan Basins project, Schlumberger Carbon Services and WesternGeco acquired two-dimensional (2D) seismic data in the Illinois Basin. This work included the design, acquisition and processing of approximately 125 miles of (2D) seismic reflection surveys running west to east in the central Illinois Basin. Schlumberger Carbon Services and WesternGeco oversaw the management of the field operations (including a pre-shoot planning, mobilization, acquisition and de-mobilization of the field personnel and equipment), procurement of the necessary permits to conduct the survey, post-shoot closure, processing of the raw data, and provided expert consultation as needed in the interpretation of the delivered product. Three 2D seismic lines were acquired across central Illinois during November and December 2010 and January 2011. Traversing the Illinois Basin, this 2D seismic survey was designed to image the stratigraphy of the Cambro-Ordovician sections and also to discern the basement topography. Prior to this survey, there were no regionally extensive 2D seismic data spanning this section of the Illinois Basin. Between the NW side of Morgan County and northwestern border of Douglas County, these seismic lines ran through very rural portions of the state. Starting in Morgan County, Line 101 was the longest at 93 miles in length and ended NE of Decatur, Illinois. Line 501 ran W-E from the Illinois Basin – Decatur Project (IBDP) site to northwestern Douglas County and was 25 miles in length. Line 601 was the shortest and ran N-S past the IBDP site and connected lines 101 and 501. All three lines are correlated to well logs at the IBDP site. Originally processed in 2011, the 2D seismic profiles exhibited a degradation of signal quality below ~400 millisecond (ms) which made

  10. Progress in 2D photonic crystal Fano resonance photonics

    NASA Astrophysics Data System (ADS)

    Zhou, Weidong; Zhao, Deyin; Shuai, Yi-Chen; Yang, Hongjun; Chuwongin, Santhad; Chadha, Arvinder; Seo, Jung-Hun; Wang, Ken X.; Liu, Victor; Ma, Zhenqiang; Fan, Shanhui

    2014-01-01

    In contrast to a conventional symmetric Lorentzian resonance, Fano resonance is predominantly used to describe asymmetric-shaped resonances, which arise from the constructive and destructive interference of discrete resonance states with broadband continuum states. This phenomenon and the underlying mechanisms, being common and ubiquitous in many realms of physical sciences, can be found in a wide variety of nanophotonic structures and quantum systems, such as quantum dots, photonic crystals, plasmonics, and metamaterials. The asymmetric and steep dispersion of the Fano resonance profile promises applications for a wide range of photonic devices, such as optical filters, switches, sensors, broadband reflectors, lasers, detectors, slow-light and non-linear devices, etc. With advances in nanotechnology, impressive progress has been made in the emerging field of nanophotonic structures. One of the most attractive nanophotonic structures for integrated photonics is the two-dimensional photonic crystal slab (2D PCS), which can be integrated into a wide range of photonic devices. The objective of this manuscript is to provide an in depth review of the progress made in the general area of Fano resonance photonics, focusing on the photonic devices based on 2D PCS structures. General discussions are provided on the origins and characteristics of Fano resonances in 2D PCSs. A nanomembrane transfer printing fabrication technique is also reviewed, which is critical for the heterogeneous integrated Fano resonance photonics. The majority of the remaining sections review progress made on various photonic devices and structures, such as high quality factor filters, membrane reflectors, membrane lasers, detectors and sensors, as well as structures and phenomena related to Fano resonance slow light effect, nonlinearity, and optical forces in coupled PCSs. It is expected that further advances in the field will lead to more significant advances towards 3D integrated photonics, flat

  11. 2D to 3D conversion implemented in different hardware

    NASA Astrophysics Data System (ADS)

    Ramos-Diaz, Eduardo; Gonzalez-Huitron, Victor; Ponomaryov, Volodymyr I.; Hernandez-Fragoso, Araceli

    2015-02-01

    Conversion of available 2D data for release in 3D content is a hot topic for providers and for success of the 3D applications, in general. It naturally completely relies on virtual view synthesis of a second view given by original 2D video. Disparity map (DM) estimation is a central task in 3D generation but still follows a very difficult problem for rendering novel images precisely. There exist different approaches in DM reconstruction, among them manually and semiautomatic methods that can produce high quality DMs but they demonstrate hard time consuming and are computationally expensive. In this paper, several hardware implementations of designed frameworks for an automatic 3D color video generation based on 2D real video sequence are proposed. The novel framework includes simultaneous processing of stereo pairs using the following blocks: CIE L*a*b* color space conversions, stereo matching via pyramidal scheme, color segmentation by k-means on an a*b* color plane, and adaptive post-filtering, DM estimation using stereo matching between left and right images (or neighboring frames in a video), adaptive post-filtering, and finally, the anaglyph 3D scene generation. Novel technique has been implemented on DSP TMS320DM648, Matlab's Simulink module over a PC with Windows 7, and using graphic card (NVIDIA Quadro K2000) demonstrating that the proposed approach can be applied in real-time processing mode. The time values needed, mean Similarity Structural Index Measure (SSIM) and Bad Matching Pixels (B) values for different hardware implementations (GPU, Single CPU, and DSP) are exposed in this paper.

  12. Human erythrocytes analyzed by generalized 2D Raman correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Wesełucha-Birczyńska, Aleksandra; Kozicki, Mateusz; Czepiel, Jacek; Łabanowska, Maria; Nowak, Piotr; Kowalczyk, Grzegorz; Kurdziel, Magdalena; Birczyńska, Malwina; Biesiada, Grażyna; Mach, Tomasz; Garlicki, Aleksander

    2014-07-01

    The most numerous elements of the blood cells, erythrocytes, consist mainly of two components: homogeneous interior filled with hemoglobin and closure which is the cell membrane. To gain insight into their specific properties we studied the process of disintegration, considering these two constituents, and comparing the natural aging process of human healthy blood cells. MicroRaman spectra of hemoglobin within the single RBC were recorded using 514.5, and 785 nm laser lines. The generalized 2D correlation method was applied to analyze the collected spectra. The time passed from blood donation was regarded as an external perturbation. The time was no more than 40 days according to the current storage limit of blood banks, although, the average RBC life span is 120 days. An analysis of the prominent synchronous and asynchronous cross peaks allow us to get insight into the mechanism of hemoglobin decomposition. Appearing asynchronous cross-peaks point towards globin and heme separation from each other, while synchronous shows already broken globin into individual amino acids. Raman scattering analysis of hemoglobin “wrapping”, i.e. healthy erythrocyte ghosts, allows for the following peculiarity of their behavior. The increasing power of the excitation laser induced alterations in the assemblage of membrane lipids. 2D correlation maps, obtained with increasing laser power recognized as an external perturbation, allows for the consideration of alterations in the erythrocyte membrane structure and composition, which occurs first in the proteins. Cross-peaks were observed indicating an asynchronous correlation between the senescent-cell antigen (SCA) and heme or proteins vibrations. The EPR spectra of the whole blood was analyzed regarding time as an external stimulus. The 2D correlation spectra points towards participation of the selected metal ion centers in the disintegration process.

  13. Recent update of the RPLUS2D/3D codes

    NASA Technical Reports Server (NTRS)

    Tsai, Y.-L. Peter

    1991-01-01

    The development of the RPLUS2D/3D codes is summarized. These codes utilize LU algorithms to solve chemical non-equilibrium flows in a body-fitted coordinate system. The motivation behind the development of these codes is the need to numerically predict chemical non-equilibrium flows for the National AeroSpace Plane Program. Recent improvements include vectorization method, blocking algorithms for geometric flexibility, out-of-core storage for large-size problems, and an LU-SW/UP combination for CPU-time efficiency and solution quality.

  14. Topology-Preserving Rigid Transformation of 2D Digital Images.

    PubMed

    Ngo, Phuc; Passat, Nicolas; Kenmochi, Yukiko; Talbot, Hugues

    2014-02-01

    We provide conditions under which 2D digital images preserve their topological properties under rigid transformations. We consider the two most common digital topology models, namely dual adjacency and well-composedness. This paper leads to the proposal of optimal preprocessing strategies that ensure the topological invariance of images under arbitrary rigid transformations. These results and methods are proved to be valid for various kinds of images (binary, gray-level, label), thus providing generic and efficient tools, which can be used in particular in the context of image registration and warping.

  15. Efficient 2d full waveform inversion using Fortran coarray

    NASA Astrophysics Data System (ADS)

    Ryu, Donghyun; Kim, ahreum; Ha, Wansoo

    2016-04-01

    We developed a time-domain seismic inversion program using the coarray feature of the Fortran 2008 standard to parallelize the algorithm. We converted a 2d acoustic parallel full waveform inversion program with Message Passing Interface (MPI) to a coarray program and examined performance of the two inversion programs. The results show that the speed of the waveform inversion program using the coarray is slightly faster than that of the MPI version. The standard coarray lacks features for collective communication; however, it can be improved in following standards since it is introduced recently. The parallel algorithm can be applied for 3D seismic data processing.

  16. Transport Experiments on 2D Correlated Electron Physics in Semiconductors

    SciTech Connect

    Tsui, Daniel

    2014-03-24

    This research project was designed to investigate experimentally the transport properties of the 2D electrons in Si and GaAs, two prototype semiconductors, in several new physical regimes that were previously inaccessible to experiments. The research focused on the strongly correlated electron physics in the dilute density limit, where the electron potential energy to kinetic energy ratio rs>>1, and on the fractional quantum Hall effect related physics in nuclear demagnetization refrigerator temperature range on samples with new levels of purity and controlled random disorder.

  17. Quantum Oscillations in an Interfacial 2D Electron Gas.

    SciTech Connect

    Zhang, Bingop; Lu, Ping; Liu, Henan; Lin, Jiao; Ye, Zhenyu; Jaime, Marcelo; Balakirev, Fedor F.; Yuan, Huiqiu; Wu, Huizhen; Pan, Wei; Zhang, Yong

    2016-01-01

    Recently, it has been predicted that topological crystalline insulators (TCIs) may exist in SnTe and Pb1-xSnxTe thin films [1]. To date, most studies on TCIs were carried out either in bulk crystals or thin films, and no research activity has been explored in heterostructures. We present here the results on electronic transport properties of the 2D electron gas (2DEG) realized at the interfaces of PbTe/ CdTe (111) heterostructures. Evidence of topological state in this interfacial 2DEG was observed.

  18. Cryogenic cavitating flow in 2D laval nozzle

    NASA Astrophysics Data System (ADS)

    Tani, Naoki; Nagashima, Toshio

    2003-05-01

    Cavitation is one of the troublesome problems in rocket turbo pumps, and since most of high-efficiency rocket propellants are cryogenic fluids, so called “thermodynamic effect” becomes more evident than in water. In the present study, numerical and experimental study of liquid nitrogen cavitation in 2D Laval nozzle was carried out, so that the influence of thermodynamic effect was examined. It was revealed that temperature and cavitation have strong inter-relationship with each other in thermo-sensitive cryogenic fluids.

  19. The 2d MIT: The Pseudogap and Fermi Liquid Theory

    NASA Astrophysics Data System (ADS)

    Castner, T. G.

    2005-06-01

    Fermi liquid theory for the 2d metal-insulator transition is extended to include the correlation gap in the density-of-states. The results are consistent with the scaling form g=gce[on(To/T)] at T larger than a characteristic T* ∝ xTc (Tc=Ec= mobility edge). The two-component model n1+nloc=n=nc(1+x) for n>nc is required and the theory explains the T-dependence of the data of Hanein et al. for p-type GaAs.

  20. 2-D scalable optical controlled phased-array antenna system

    NASA Astrophysics Data System (ADS)

    Chen, Maggie Yihong; Howley, Brie; Wang, Xiaolong; Basile, Panoutsopoulos; Chen, Ray T.

    2006-02-01

    A novel optoelectronically-controlled wideband 2-D phased-array antenna system is demonstrated. The inclusion of WDM devices makes a highly scalable system structure. Only (M+N) delay lines are required to control a M×N array. The optical true-time delay lines are combination of polymer waveguides and optical switches, using a single polymeric platform and are monolithically integrated on a single substrate. The 16 time delays generated by the device are measured to range from 0 to 175 ps in 11.6 ps. Far-field patterns at different steering angles in X-band are measured.

  1. Anomalous Hall Effect in a 2D Rashba Ferromagnet

    NASA Astrophysics Data System (ADS)

    Ado, I. A.; Dmitriev, I. A.; Ostrovsky, P. M.; Titov, M.

    2016-07-01

    Skew scattering on rare impurity configurations is shown to dominate the anomalous Hall effect in a 2D Rashba ferromagnet. The mechanism originates in scattering on rare impurity pairs separated by distances of the order of the Fermi wavelength. The corresponding theoretical description goes beyond the conventional noncrossing approximation. The mechanism provides the only contribution to the anomalous Hall conductivity in the most relevant metallic regime and strongly modifies previously obtained results for lower energies in the leading order with respect to impurity strength.

  2. Electromagnetic absorption of semiconductor 2D Majorana nanowires.

    PubMed

    Ruiz, Daniel; Osca, Javier; Serra, Llorenç

    2015-04-01

    We calculate the cross section for the electromagnetic absorption of planar 2D Majorana nanowires. The electromagnetic field is described in the dipole approximation. We discuss the signatures on the cross section of a near-zero-energy mode. A low energy peak for transverse polarization, absent in the longitudinal one, reveals the presence of the Majorana-like state. This peak is relatively robust against the thermal smearing of the level occupations. We consider the influence of optical masks hiding parts of the nanowire from the radiation.

  3. PARCEQ2D heat transfer grid sensitivity analysis

    SciTech Connect

    Saladino, A.J.; Praharaj, S.C.; Collins, F.G. Tennessee Univ., Tullahoma )

    1991-01-01

    The material presented in this paper is an extension of two-dimensional Aeroassist Flight Experiment (AFE) results shown previously. This study has focused on the heating rate calculations to the AFE obtained from an equilibrium real gas code, with attention placed on the sensitivity of grid dependence and wall temperature. Heat transfer results calculated by the PARCEQ2D code compare well with those computed by other researchers. Temperature convergence in the case of kinetic transport has been accomplished by increasing the wall temperature gradually from 300 K to the wall temperature of 1700 K. 28 refs.

  4. PARCEQ2D heat transfer grid sensitivity analysis

    NASA Technical Reports Server (NTRS)

    Saladino, Anthony J.; Praharaj, Sarat C.; Collins, Frank G.

    1991-01-01

    The material presented in this paper is an extension of two-dimensional Aeroassist Flight Experiment (AFE) results shown previously. This study has focused on the heating rate calculations to the AFE obtained from an equilibrium real gas code, with attention placed on the sensitivity of grid dependence and wall temperature. Heat transfer results calculated by the PARCEQ2D code compare well with those computed by other researchers. Temperature convergence in the case of kinetic transport has been accomplished by increasing the wall temperature gradually from 300 K to the wall temperature of 1700 K.

  5. Unitary matrix models and 2D quantum gravity

    SciTech Connect

    Dalley, S. . Joseph Henry Labs.); Johnson, C.V.; Morris, T.R. . Dept. of Physics); Watterstam, A. )

    1992-09-21

    In this paper the KdV and modified KdV integrable hierarchies are shown to be different descriptions of the same 2D gravitational system - open-closed string theory. Non-perturbative solutions of the multicritical unitary matrix models map to non-singular solutions of the renormalization group equation for the string susceptibility, [P, Q] = Q. The authors also demonstrate that the large-N solutions of unitary matrix integrals in external fields, studied by Gross and Newman, equal the non-singular pure closed-string solutions of [[bar P], Q] = Q.

  6. Beam-Plasma Instabilities in a 2D Yukawa Lattice

    SciTech Connect

    Kyrkos, S.; Kalman, G. J.; Rosenberg, M.

    2009-06-05

    We consider a 2D Yukawa lattice of grains, with a beam of other charged grains moving in the lattice plane. In contrast to Vlasov plasmas, where the electrostatic instability excited by the beam is only longitudinal, here both longitudinal and transverse instabilities of the lattice phonons can develop. We determine and compare the transverse and longitudinal growth rates. The growth rate spectrum in wave number space exhibits remarkable gaps where no instability can develop. Depending on the system parameters, the transverse instability can be selectively excited.

  7. Finite Element Analysis of 2-D Elastic Contacts Involving FGMs

    NASA Astrophysics Data System (ADS)

    Abhilash, M. N.; Murthy, H.

    2014-05-01

    The response of elastic indenters in contact with Functionally Graded Material (FGM) coated homogeneous elastic half space has been presented in the current paper. Finite element analysis has been used due to its ability to handle complex geometry, material, and boundary conditions. Indenters of different typical surface profiles have been considered and the problem has been idealized as a two-dimensional (2D) plane strain problem considering only normal loads. Initially, indenters were considered to be rigid and the results were validated with the solutions presented in the literature. The analysis has then been extended to the case of elastic indenters on FGM-coated half spaces and the results are discussed.

  8. Topology-Preserving Rigid Transformation of 2D Digital Images.

    PubMed

    Ngo, Phuc; Passat, Nicolas; Kenmochi, Yukiko; Talbot, Hugues

    2014-02-01

    We provide conditions under which 2D digital images preserve their topological properties under rigid transformations. We consider the two most common digital topology models, namely dual adjacency and well-composedness. This paper leads to the proposal of optimal preprocessing strategies that ensure the topological invariance of images under arbitrary rigid transformations. These results and methods are proved to be valid for various kinds of images (binary, gray-level, label), thus providing generic and efficient tools, which can be used in particular in the context of image registration and warping. PMID:26270925

  9. A parallel splitting wavelet method for 2D conservation laws

    NASA Astrophysics Data System (ADS)

    Schmidt, Alex A.; Kozakevicius, Alice J.; Jakobsson, Stefan

    2016-06-01

    The current work presents a parallel formulation using the MPI protocol for an adaptive high order finite difference scheme to solve 2D conservation laws. Adaptivity is achieved at each time iteration by the application of an interpolating wavelet transform in each space dimension. High order approximations for the numerical fluxes are computed by ENO and WENO schemes. Since time evolution is made by a TVD Runge-Kutta space splitting scheme, the problem is naturally suitable for parallelization. Numerical simulations and speedup results are presented for Euler equations in gas dynamics problems.

  10. 2D/3D Synthetic Vision Navigation Display

    NASA Technical Reports Server (NTRS)

    Prinzel, Lawrence J., III; Kramer, Lynda J.; Arthur, J. J., III; Bailey, Randall E.; Sweeters, jason L.

    2008-01-01

    Flight-deck display software was designed and developed at NASA Langley Research Center to provide two-dimensional (2D) and three-dimensional (3D) terrain, obstacle, and flight-path perspectives on a single navigation display. The objective was to optimize the presentation of synthetic vision (SV) system technology that permits pilots to view multiple perspectives of flight-deck display symbology and 3D terrain information. Research was conducted to evaluate the efficacy of the concept. The concept has numerous unique implementation features that would permit enhanced operational concepts and efficiencies in both current and future aircraft.

  11. Striatal Dopamine D2/D3 Receptor Availability Is Associated with Executive Function in Healthy Controls but Not Methamphetamine Users

    PubMed Central

    Ballard, Michael E.; Dean, Andy C.; Mandelkern, Mark A.; London, Edythe D.

    2015-01-01

    Background Dopamine D2/D3 receptor availability in the striatum has been linked with executive function in healthy individuals, and is below control levels among drug addicts, possibly contributing to diminished executive function in the latter group. This study tested for an association of striatal D2/D3 receptor availability with a measure of executive function among research participants who met DSM-IV criteria for methamphetamine dependence. Methods Methamphetamine users and non-user controls (n = 18 per group) completed the Wisconsin Card Sorting Test and positron emission tomography with [18F]fallypride. Results The methamphetamine users displayed significantly lower striatal D2/D3 receptor availability on average than controls after controlling for age and education (p = 0.008), but they did not register greater proportions of either perseverative or non-perseverative errors when controlling for education (both ps ≥ 0.622). The proportion of non-perseverative, but not perseverative, errors was negatively correlated with striatal D2/D3 receptor availability among controls (r = -0.588, p = 0.010), but not methamphetamine users (r = 0.281, p = 0.258), and the group-wise interaction was significant (p = 0.030). Conclusions These results suggest that cognitive flexibility, as measured by perseverative errors on the Wisconsin Card Sorting Test, is not determined by signaling through striatal D2/D3 receptors in healthy controls, and that in stimulant abusers, who have lower D2/D3 receptor availability, compensation can effectively maintain other executive functions, which are associated with D2/D3 receptor signaling in controls. PMID:26657223

  12. Momentum Transport: 2D and 3D Cloud Resolving Model Simulations

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo

    2001-01-01

    The major objective of this study is to investigate the momentum budgets associated with several convective systems that developed during the TOGA COARE IOP (west Pacific warm pool region) and GATE (east Atlantic region). The tool for this study is the improved Goddard Cumulas Ensemble (GCE) model which includes a 3-class ice-phase microphysical scheme, explicit cloud radiative interactive processes and air-sea interactive surface processes. The model domain contains 256 x 256 grid points (with 2 km resolution) in the horizontal and 38 grid points (to a depth of 22 km) in the vertical. The 2D domain has 1024 grid points. The simulations were performed over a 7-day time period (December 19-26, 1992, for TOGA COARE and September 1-7, 1994 for GATE). Cyclic literal boundary conditions are required for this type of long-term integration. Two well organized squall systems (TOGA, COARE February 22, 1993, and GATE September 12, 1994) were also simulated using the 3D GCE model. Only 9 h simulations were required to cover the life time of the squall systems. the lateral boundary conditions were open for these two squall systems simulations. the following will be examined: (1) the momentum budgets in the convective and stratiform regions, (2) the relationship between momentum transport and cloud organization (i.e., well organized squall lines versus less organized convective), (3) the differences and similarities in momentum transport between 2D and 3D simulated convective systems, and (4) the differences and similarities in momentum budgets between cloud systems simulated with open and cyclic lateral boundary conditions. Preliminary results indicate that there are only small differences between 2D and 3D simulated momentum budgets. Major differences occur, however, between momentum budgets associated with squall systems simulated using different lateral boundary conditions.

  13. The agreement between 3D, standard 2D and triplane 2D speckle tracking: effects of image quality and 3D volume rate

    PubMed Central

    Stöbe, Stephan; Tarr, Adrienn; Pfeiffer, Dietrich; Hagendorff, Andreas

    2014-01-01

    Comparison of 3D and 2D speckle tracking performed on standard 2D and triplane 2D datasets of normal and pathological left ventricular (LV) wall-motion patterns with a focus on the effect that 3D volume rate (3DVR), image quality and tracking artifacts have on the agreement between 2D and 3D speckle tracking. 37 patients with normal LV function and 18 patients with ischaemic wall-motion abnormalities underwent 2D and 3D echocardiography, followed by offline speckle tracking measurements. The values of 3D global, regional and segmental strain were compared with the standard 2D and triplane 2D strain values. Correlation analysis with the LV ejection fraction (LVEF) was also performed. The 3D and 2D global strain values correlated good in both normally and abnormally contracting hearts, though systematic differences between the two methods were observed. Of the 3D strain parameters, the area strain showed the best correlation with the LVEF. The numerical agreement of 3D and 2D analyses varied significantly with the volume rate and image quality of the 3D datasets. The highest correlation between 2D and 3D peak systolic strain values was found between 3D area and standard 2D longitudinal strain. Regional wall-motion abnormalities were similarly detected by 2D and 3D speckle tracking. 2DST of triplane datasets showed similar results to those of conventional 2D datasets. 2D and 3D speckle tracking similarly detect normal and pathological wall-motion patterns. Limited image quality has a significant impact on the agreement between 3D and 2D numerical strain values. PMID:26693303

  14. SAR imaging via modern 2-D spectral estimation methods.

    PubMed

    DeGraaf, S R

    1998-01-01

    This paper discusses the use of modern 2D spectral estimation algorithms for synthetic aperture radar (SAR) imaging. The motivation for applying power spectrum estimation methods to SAR imaging is to improve resolution, remove sidelobe artifacts, and reduce speckle compared to what is possible with conventional Fourier transform SAR imaging techniques. This paper makes two principal contributions to the field of adaptive SAR imaging. First, it is a comprehensive comparison of 2D spectral estimation methods for SAR imaging. It provides a synopsis of the algorithms available, discusses their relative merits for SAR imaging, and illustrates their performance on simulated and collected SAR imagery. Some of the algorithms presented or their derivations are new, as are some of the insights into or analyses of the algorithms. Second, this work develops multichannel variants of four related algorithms, minimum variance method (MVM), reduced-rank MVM (RRMVM), adaptive sidelobe reduction (ASR) and space variant apodization (SVA) to estimate both reflectivity intensity and interferometric height from polarimetric displaced-aperture interferometric data. All of these interferometric variants are new. In the interferometric contest, adaptive spectral estimation can improve the height estimates through a combination of adaptive nulling and averaging. Examples illustrate that MVM, ASR, and SVA offer significant advantages over Fourier methods for estimating both scattering intensity and interferometric height, and allow empirical comparison of the accuracies of Fourier, MVM, ASR, and SVA interferometric height estimates.

  15. Syndrome identification based on 2D analysis software.

    PubMed

    Boehringer, Stefan; Vollmar, Tobias; Tasse, Christiane; Wurtz, Rolf P; Gillessen-Kaesbach, Gabriele; Horsthemke, Bernhard; Wieczorek, Dagmar

    2006-10-01

    Clinical evaluation of children with developmental delay continues to present a challenge to the clinicians. In many cases, the face provides important information to diagnose a condition. However, database support with respect to facial traits is limited at present. Computer-based analyses of 2D and 3D representations of faces have been developed, but it is unclear how well a larger number of conditions can be handled by such systems. We have therefore analysed 2D pictures of patients each being affected with one of 10 syndromes (fragile X syndrome; Cornelia de Lange syndrome; Williams-Beuren syndrome; Prader-Willi syndrome; Mucopolysaccharidosis type III; Cri-du-chat syndrome; Smith-Lemli-Opitz syndrome; Sotos syndrome; Microdeletion 22q11.2; Noonan syndrome). We can show that a classification accuracy of >75% can be achieved for a computer-based diagnosis among the 10 syndromes, which is about the same accuracy achieved for five syndromes in a previous study. Pairwise discrimination of syndromes ranges from 80 to 99%. Furthermore, we can demonstrate that the criteria used by the computer decisions match clinical observations in many cases. These findings indicate that computer-based picture analysis might be a helpful addition to existing database systems, which are meant to assist in syndrome diagnosis, especially as data acquisition is straightforward and involves off-the-shelf digital camera equipment. PMID:16773127

  16. 2D/3D image (facial) comparison using camera matching.

    PubMed

    Goos, Mirelle I M; Alberink, Ivo B; Ruifrok, Arnout C C

    2006-11-10

    A problem in forensic facial comparison of images of perpetrators and suspects is that distances between fixed anatomical points in the face, which form a good starting point for objective, anthropometric comparison, vary strongly according to the position and orientation of the camera. In case of a cooperating suspect, a 3D image may be taken using e.g. a laser scanning device. By projecting the 3D image onto a 2D image with the suspect's head in the same pose as that of the perpetrator, using the same focal length and pixel aspect ratio, numerical comparison of (ratios of) distances between fixed points becomes feasible. An experiment was performed in which, starting from two 3D scans and one 2D image of two colleagues, male and female, and using seven fixed anatomical locations in the face, comparisons were made for the matching and non-matching case. Using this method, the non-matching pair cannot be distinguished from the matching pair of faces. Facial expression and resolution of images were all more or less optimal, and the results of the study are not encouraging for the use of anthropometric arguments in the identification process. More research needs to be done though on larger sets of facial comparisons. PMID:16337353

  17. Mass loss in 2D rotating stellar models

    SciTech Connect

    Lovekin, Caterine; Deupree, Bob

    2010-10-05

    Radiatively driven mass loss is an important factor in the evolution of massive stars . The mass loss rates depend on a number of stellar parameters, including the effective temperature and luminosity. Massive stars are also often rapidly rotating, which affects their structure and evolution. In sufficiently rapidly rotating stars, both the effective temperature and radius vary significantly as a function of latitude, and hence mass loss rates can vary appreciably between the poles and the equator. In this work, we discuss the addition of mass loss to a 2D stellar evolution code (ROTORC) and compare evolution sequences with and without mass loss. Preliminary results indicate that a full 2D calculation of mass loss using the local effective temperature and luminosity can significantly affect the distribution of mass loss in rotating main sequence stars. More mass is lost from the pole than predicted by 1D models, while less mass is lost at the equator. This change in the distribution of mass loss will affect the angular momentum loss, the surface temperature and luminosity, and even the interior structure of the star. After a single mass loss event, these effects are small, but can be expected to accumulate over the course of the main sequence evolution.

  18. Facial biometrics based on 2D vector geometry

    NASA Astrophysics Data System (ADS)

    Malek, Obaidul; Venetsanopoulos, Anastasios; Androutsos, Dimitrios

    2014-05-01

    The main challenge of facial biometrics is its robustness and ability to adapt to changes in position orientation, facial expression, and illumination effects. This research addresses the predominant deficiencies in this regard and systematically investigates a facial authentication system in the Euclidean domain. In the proposed method, Euclidean geometry in 2D vector space is being constructed for features extraction and the authentication method. In particular, each assigned point of the candidates' biometric features is considered to be a 2D geometrical coordinate in the Euclidean vector space. Algebraic shapes of the extracted candidate features are also computed and compared. The proposed authentication method is being tested on images from the public "Put Face Database". The performance of the proposed method is evaluated based on Correct Recognition (CRR), False Acceptance (FAR), and False Rejection (FRR) rates. The theoretical foundation of the proposed method along with the experimental results are also presented in this paper. The experimental results demonstrate the effectiveness of the proposed method.

  19. Flatbands in 2D boroxine-linked covalent organic frameworks.

    PubMed

    Wang, Rui-Ning; Zhang, Xin-Ran; Wang, Shu-Fang; Fu, Guang-Sheng; Wang, Jiang-Long

    2016-01-14

    Density functional calculations have been performed to analyze the electronic and mechanical properties of a number of 2D boroxine-linked covalent organic frameworks (COFs), which are experimentally fabricated from di-borate aromatic molecules. Furthermore, the band structures are surprising and show flat-band characteristics which are mainly attributed to the delocalized π-conjugated electrons around the phenyl rings and can be better understood within aromaticity theories. Next, the effects of branch sizes and hydrostatic strains on their band structures are systematically considered within generalized gradient approximations. It is found that their band gaps will start to saturate when the branch size reaches 9. For boroxine-linked COFs with only one benzene ring in the branch, the band gap is robust under compressive strain while it decreases with the tensile strain increasing. When the branch size is equal or greater than 2, their band gaps will monotonously increase with the strain increasing in the range of [-1.0, 2.0] Å. All boroxine-linked COFs are semiconductors with controllable band gaps, depending on the branch length and the applied strain. In comparison with other 2D materials, such as graphene, hexagonal boron nitride, and even γ-graphyne, all boroxine-linked COFs are much softer and even more stable. That is, they can maintain the planar features under a larger compressive strain, which means that they are good candidates in flexible electronics. PMID:26662215

  20. Peak width issues with generalised 2D correlation NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Kirwan, Gemma M.; Adams, Michael J.

    2008-12-01

    Two-dimensional spectral correlation analysis is shown to be sensitive to fluctuations in spectral peak width as a function of perturbation variable. This is particularly significant where peak width fluctuations are of similar order of magnitude as the peak width values themselves and where changes in peak width are not random but are, for example, proportional to intensity. In such cases these trends appear in the asynchronous matrix as false peaks that serve to interfere with interpretation of the data. Complex, narrow band spectra such as provided by 1H NMR spectroscopy are demonstrated to be prone to such interference. 2D correlation analysis was applied to a series of NMR spectra corresponding to a commercial wine fermentation, in which the samples collected over a period of several days exhibit dramatic changes in concentration of minor and major components. The interference due to changing peak width effects is eliminated by synthesizing the recorded spectra using a constant peak width value prior to performing 2D correlation analysis.

  1. Application Perspective of 2D+SCALE Dimension

    NASA Astrophysics Data System (ADS)

    Karim, H.; Rahman, A. Abdul

    2016-09-01

    Different applications or users need different abstraction of spatial models, dimensionalities and specification of their datasets due to variations of required analysis and output. Various approaches, data models and data structures are now available to support most current application models in Geographic Information System (GIS). One of the focuses trend in GIS multi-dimensional research community is the implementation of scale dimension with spatial datasets to suit various scale application needs. In this paper, 2D spatial datasets that been scaled up as the third dimension are addressed as 2D+scale (or 3D-scale) dimension. Nowadays, various data structures, data models, approaches, schemas, and formats have been proposed as the best approaches to support variety of applications and dimensionality in 3D topology. However, only a few of them considers the element of scale as their targeted dimension. As the scale dimension is concerned, the implementation approach can be either multi-scale or vario-scale (with any available data structures and formats) depending on application requirements (topology, semantic and function). This paper attempts to discuss on the current and new potential applications which positively could be integrated upon 3D-scale dimension approach. The previous and current works on scale dimension as well as the requirements to be preserved for any given applications, implementation issues and future potential applications forms the major discussion of this paper.

  2. Flatbands in 2D boroxine-linked covalent organic frameworks.

    PubMed

    Wang, Rui-Ning; Zhang, Xin-Ran; Wang, Shu-Fang; Fu, Guang-Sheng; Wang, Jiang-Long

    2016-01-14

    Density functional calculations have been performed to analyze the electronic and mechanical properties of a number of 2D boroxine-linked covalent organic frameworks (COFs), which are experimentally fabricated from di-borate aromatic molecules. Furthermore, the band structures are surprising and show flat-band characteristics which are mainly attributed to the delocalized π-conjugated electrons around the phenyl rings and can be better understood within aromaticity theories. Next, the effects of branch sizes and hydrostatic strains on their band structures are systematically considered within generalized gradient approximations. It is found that their band gaps will start to saturate when the branch size reaches 9. For boroxine-linked COFs with only one benzene ring in the branch, the band gap is robust under compressive strain while it decreases with the tensile strain increasing. When the branch size is equal or greater than 2, their band gaps will monotonously increase with the strain increasing in the range of [-1.0, 2.0] Å. All boroxine-linked COFs are semiconductors with controllable band gaps, depending on the branch length and the applied strain. In comparison with other 2D materials, such as graphene, hexagonal boron nitride, and even γ-graphyne, all boroxine-linked COFs are much softer and even more stable. That is, they can maintain the planar features under a larger compressive strain, which means that they are good candidates in flexible electronics.

  3. 3D surface configuration modulates 2D symmetry detection.

    PubMed

    Chen, Chien-Chung; Sio, Lok-Teng

    2015-02-01

    We investigated whether three-dimensional (3D) information in a scene can affect symmetry detection. The stimuli were random dot patterns with 15% dot density. We measured the coherence threshold, or the proportion of dots that were the mirror reflection of the other dots in the other half of the image about a central vertical axis, at 75% accuracy with a 2AFC paradigm under various 3D configurations produced by the disparity between the left and right eye images. The results showed that symmetry detection was difficult when the corresponding dots across the symmetry axis were on different frontoparallel or inclined planes. However, this effect was not due to a difference in distance, as the observers could detect symmetry on a slanted surface, where the depth of the two sides of the symmetric axis was different. The threshold was reduced for a hinge configuration where the join of two slanted surfaces coincided with the axis of symmetry. Our result suggests that the detection of two-dimensional (2D) symmetry patterns is subject to the 3D configuration of the scene; and that coplanarity across the symmetry axis and consistency between the 2D pattern and 3D structure are important factors for symmetry detection.

  4. 2D Gridded Surface Data Value-Added Product

    SciTech Connect

    Tang, Q; Xie, S

    2015-08-30

    This report describes the Atmospheric Radiation Measurement (ARM) Best Estimate (ARMBE) 2-dimensional (2D) gridded surface data (ARMBE2DGRID) value-added product. Spatial variability is critically important to many scientific studies, especially those that involve processes of great spatial variations at high temporal frequency (e.g., precipitation, clouds, radiation, etc.). High-density ARM sites deployed at the Southern Great Plains (SGP) allow us to observe the spatial patterns of variables of scientific interests. The upcoming megasite at SGP with its enhanced spatial density will facilitate the studies at even finer scales. Currently, however, data are reported only at individual site locations at different time resolutions for different datastreams. It is difficult for users to locate all the data they need and requires extra effort to synchronize the data. To address these problems, the ARMBE2DGRID value-added product merges key surface measurements at the ARM SGP sites and interpolates the data to a regular 2D grid to facilitate the data application.

  5. Influence of Elevation Data Source on 2D Hydraulic Modelling

    NASA Astrophysics Data System (ADS)

    Bakuła, Krzysztof; Stępnik, Mateusz; Kurczyński, Zdzisław

    2016-08-01

    The aim of this paper is to analyse the influence of the source of various elevation data on hydraulic modelling in open channels. In the research, digital terrain models from different datasets were evaluated and used in two-dimensional hydraulic models. The following aerial and satellite elevation data were used to create the representation of terrain - digital terrain model: airborne laser scanning, image matching, elevation data collected in the LPIS, EuroDEM, and ASTER GDEM. From the results of five 2D hydrodynamic models with different input elevation data, the maximum depth and flow velocity of water were derived and compared with the results of the most accurate ALS data. For such an analysis a statistical evaluation and differences between hydraulic modelling results were prepared. The presented research proved the importance of the quality of elevation data in hydraulic modelling and showed that only ALS and photogrammetric data can be the most reliable elevation data source in accurate 2D hydraulic modelling.

  6. Local currents in a 2D topological insulator.

    PubMed

    Dang, Xiaoqian; Burton, J D; Tsymbal, Evgeny Y

    2015-12-23

    Symmetry protected edge states in 2D topological insulators are interesting both from the fundamental point of view as well as from the point of view of potential applications in nanoelectronics as perfectly conducting 1D channels and functional elements of circuits. Here using a simple tight-binding model and the Landauer-Büttiker formalism we explore local current distributions in a 2D topological insulator focusing on effects of non-magnetic impurities and vacancies as well as finite size effects. For an isolated edge state, we show that the local conductance decays into the bulk in an oscillatory fashion as explained by the complex band structure of the bulk topological insulator. We demonstrate that although the net conductance of the edge state is topologically protected, impurity scattering leads to intricate local current patterns. In the case of vacancies we observe vortex currents of certain chirality, originating from the scattering of current-carrying electrons into states localized at the edges of hollow regions. For finite size strips of a topological insulator we predict the formation of an oscillatory band gap in the spectrum of the edge states, the emergence of Friedel oscillations caused by an open channel for backscattering from an impurity and antiresonances in conductance when the Fermi energy matches the energy of the localized state created by an impurity. PMID:26610145

  7. Magnetic gating of a 2D topological insulator.

    PubMed

    Dang, Xiaoqian; Burton, J D; Tsymbal, Evgeny Y

    2016-09-28

    Deterministic control of transport properties through manipulation of spin states is one of the paradigms of spintronics. Topological insulators offer a new playground for exploring interesting spin-dependent phenomena. Here, we consider a ferromagnetic 'gate' representing a magnetic adatom coupled to the topologically protected edge state of a two-dimensional (2D) topological insulator to modulate the electron transmission of the edge state. Due to the locked spin and wave vector of the transport electrons the transmission across the magnetic gate depends on the mutual orientation of the adatom magnetic moment and the current. If the Fermi energy matches an exchange-split bound state of the adatom, the electron transmission can be blocked due to the full back scattering of the incident wave. This antiresonance behavior is controlled by the adatom magnetic moment orientation so that the transmission of the edge state can be changed from 1 to 0. Expanding this consideration to a ferromagnetic gate representing a 1D chain of atoms shows a possibility to control the spin-dependent current of a strip of a 2D topological insulator by magnetization orientation of the ferromagnetic gate. PMID:27437829

  8. Preconditioning 2D Integer Data for Fast Convex Hull Computations.

    PubMed

    Cadenas, José Oswaldo; Megson, Graham M; Luengo Hendriks, Cris L

    2016-01-01

    In order to accelerate computing the convex hull on a set of n points, a heuristic procedure is often applied to reduce the number of points to a set of s points, s ≤ n, which also contains the same hull. We present an algorithm to precondition 2D data with integer coordinates bounded by a box of size p × q before building a 2D convex hull, with three distinct advantages. First, we prove that under the condition min(p, q) ≤ n the algorithm executes in time within O(n); second, no explicit sorting of data is required; and third, the reduced set of s points forms a simple polygonal chain and thus can be directly pipelined into an O(n) time convex hull algorithm. This paper empirically evaluates and quantifies the speed up gained by preconditioning a set of points by a method based on the proposed algorithm before using common convex hull algorithms to build the final hull. A speedup factor of at least four is consistently found from experiments on various datasets when the condition min(p, q) ≤ n holds; the smaller the ratio min(p, q)/n is in the dataset, the greater the speedup factor achieved. PMID:26938221

  9. Predicting abnormal pressure from 2-D seismic velocity modeling

    SciTech Connect

    Grauls, D.; Dunand, J.P.; Beaufort, D.

    1995-12-01

    Seismic velocities are the only data available, before drilling, on which to base a quantitative, present-day estimate of abnormal pressure. Recent advances in seismic velocity processing have enabled them to obtain, using an in-house approach, an optimized 2-D interval velocity field and consequently to better define the lateral extension of pressure regimes. The methodology, interpretation and quantification of overpressure-related anomalies are supported by case studies, selected in sand-shale dominated Tertiary basins, offshore West Africa. Another advantage of this approach is that it can also account for the presence of reservoir-potential intervals at great depth and thus provide significant insight, from a prospective standpoint, into very poorly explored areas. Although at the outset the 2-D seismic tool legitimately merits being favored, optimization of the final predictive pressure model, prior to drilling, will depend upon the success of its combined use with other concepts and approaches, pertaining to structural geology, sedimentology, rock mechanics and fluid dynamics.

  10. 2D NMR-spectroscopic screening reveals polyketides in ladybugs

    PubMed Central

    Deyrup, Stephen T.; Eckman, Laura E.; McCarthy, Patrick H.; Smedley, Scott R.; Meinwald, Jerrold; Schroeder, Frank C.

    2011-01-01

    Small molecules of biological origin continue to yield the most promising leads for drug design, but systematic approaches for exploring nature’s cache of structural diversity are lacking. Here, we demonstrate the use of 2D NMR spectroscopy to screen a library of biorationally selected insect metabolite samples for partial structures indicating the presence of new chemical entities. This NMR-spectroscopic survey enabled detection of novel compounds in complex metabolite mixtures without prior fractionation or isolation. Our screen led to discovery and subsequent isolation of two families of tricyclic pyrones in Delphastus catalinae, a tiny ladybird beetle that is employed commercially as a biological pest control agent. The D. catalinae pyrones are based on 23-carbon polyketide chains forming 1,11-dioxo-2,6,10-trioxaanthracene and 4,8-dioxo-1,9,13-trioxaanthracene derivatives, representing ring systems not previously found in nature. This study highlights the utility of 2D NMR-spectroscopic screening for exploring nature’s structure space and suggests that insect metabolomes remain vastly underexplored. PMID:21646540

  11. 2D NMR-spectroscopic screening reveals polyketides in ladybugs.

    PubMed

    Deyrup, Stephen T; Eckman, Laura E; McCarthy, Patrick H; Smedley, Scott R; Meinwald, Jerrold; Schroeder, Frank C

    2011-06-14

    Small molecules of biological origin continue to yield the most promising leads for drug design, but systematic approaches for exploring nature's cache of structural diversity are lacking. Here, we demonstrate the use of 2D NMR spectroscopy to screen a library of biorationally selected insect metabolite samples for partial structures indicating the presence of new chemical entities. This NMR-spectroscopic survey enabled detection of novel compounds in complex metabolite mixtures without prior fractionation or isolation. Our screen led to discovery and subsequent isolation of two families of tricyclic pyrones in Delphastus catalinae, a tiny ladybird beetle that is employed commercially as a biological pest control agent. The D. catalinae pyrones are based on 23-carbon polyketide chains forming 1,11-dioxo-2,6,10-trioxaanthracene and 4,8-dioxo-1,9,13-trioxaanthracene derivatives, representing ring systems not previously found in nature. This study highlights the utility of 2D NMR-spectroscopic screening for exploring nature's structure space and suggests that insect metabolomes remain vastly underexplored. PMID:21646540

  12. Controlling cell growth with tailorable 2D nanoholes arrays.

    PubMed

    Fragal, Vanessa H; Cellet, Thelma Sley P; Fragal, Elizângela H; Pereira, Guilherme M; Garcia, Francielle P; Nakamura, Celso V; Asefa, Tewodros; Rubira, Adley F; Silva, Rafael

    2016-03-15

    A facile and reproducible route that can lead to two-dimensional arrays of nanopores in thin polymer films is demonstrated. The formation of the pores in the polymer films involves breath figure phenomenon and occurs during the film deposition by spin coating. The formation of nanoporous thin films takes only few seconds, and the method does not require complex equipment or expensive chemicals. This method also constitutes a straightforward approach to control the size of the pores formed in thin films. Besides allowing control over the average pore size of the porous films, the use of dynamic deposition with the breath figure phenomenon causes the reduction in the pore size to nanometer scale. The nanoporous arrays obtained by the breath figure are applied as substrates for cell growth, and the effect of their nanopore size on cell growth was evaluated. Notably, it is found that cell viability is related to pore size, where 2D nanoporous structure is more beneficial for cell culture than 2D microporous structures. The change in the average pore size of the polymer films from 1.22 μm to 346 nm results in a threefold increase in cell viability. PMID:26722796

  13. Suspended 2-D photonic crystal aluminum nitride membrane reflector.

    PubMed

    Ho, Chong Pei; Pitchappa, Prakash; Soon, Bo Woon; Lee, Chengkuo

    2015-04-20

    We experimentally demonstrated a free-standing two-dimensional (2-D) photonic crystal (PhC) aluminum nitride (AlN) membrane to function as a free space (or out-of-plane) reflector working in the mid infrared region. By etching circular holes of radius 620nm in a 330nm thick AlN slab, greater than 90% reflection was measured from 3.08μm to 3.78μm, with the peak reflection of 96% at 3.16μm. Due to the relatively low refractive index of AlN, we also investigated the importance of employing methods such as sacrificial layer release to enhance the performance of the PhC. In addition, characterization of the AlN based PhC was also done up to 450°C to examine the impact of thermo-optic effect on the performance. Despite the high temperature operation, the redshift in the peak reflection wavelengths of the device was estimated to be only 14.1nm. This equates to a relatively low thermo-optic coefficient 2.22 × 10(-5) K(-1) for AlN. Such insensitivity to thermo-optic effect makes AlN based 2-D PhC a promising technology to be used as photonic components for high temperature applications such as Fabry-Perot interferometer used for gas sensing in down-hole oil drilling and ruggedized electronics. PMID:25969099

  14. Magnetic gating of a 2D topological insulator

    NASA Astrophysics Data System (ADS)

    Dang, Xiaoqian; Burton, J. D.; Tsymbal, Evgeny Y.

    2016-09-01

    Deterministic control of transport properties through manipulation of spin states is one of the paradigms of spintronics. Topological insulators offer a new playground for exploring interesting spin-dependent phenomena. Here, we consider a ferromagnetic ‘gate’ representing a magnetic adatom coupled to the topologically protected edge state of a two-dimensional (2D) topological insulator to modulate the electron transmission of the edge state. Due to the locked spin and wave vector of the transport electrons the transmission across the magnetic gate depends on the mutual orientation of the adatom magnetic moment and the current. If the Fermi energy matches an exchange-split bound state of the adatom, the electron transmission can be blocked due to the full back scattering of the incident wave. This antiresonance behavior is controlled by the adatom magnetic moment orientation so that the transmission of the edge state can be changed from 1 to 0. Expanding this consideration to a ferromagnetic gate representing a 1D chain of atoms shows a possibility to control the spin-dependent current of a strip of a 2D topological insulator by magnetization orientation of the ferromagnetic gate.

  15. Local currents in a 2D topological insulator.

    PubMed

    Dang, Xiaoqian; Burton, J D; Tsymbal, Evgeny Y

    2015-12-23

    Symmetry protected edge states in 2D topological insulators are interesting both from the fundamental point of view as well as from the point of view of potential applications in nanoelectronics as perfectly conducting 1D channels and functional elements of circuits. Here using a simple tight-binding model and the Landauer-Büttiker formalism we explore local current distributions in a 2D topological insulator focusing on effects of non-magnetic impurities and vacancies as well as finite size effects. For an isolated edge state, we show that the local conductance decays into the bulk in an oscillatory fashion as explained by the complex band structure of the bulk topological insulator. We demonstrate that although the net conductance of the edge state is topologically protected, impurity scattering leads to intricate local current patterns. In the case of vacancies we observe vortex currents of certain chirality, originating from the scattering of current-carrying electrons into states localized at the edges of hollow regions. For finite size strips of a topological insulator we predict the formation of an oscillatory band gap in the spectrum of the edge states, the emergence of Friedel oscillations caused by an open channel for backscattering from an impurity and antiresonances in conductance when the Fermi energy matches the energy of the localized state created by an impurity.

  16. Conformal Laplace superintegrable systems in 2D: polynomial invariant subspaces

    NASA Astrophysics Data System (ADS)

    Escobar-Ruiz, M. A.; Miller, Willard, Jr.

    2016-07-01

    2nd-order conformal superintegrable systems in n dimensions are Laplace equations on a manifold with an added scalar potential and 2n-1 independent 2nd order conformal symmetry operators. They encode all the information about Helmholtz (eigenvalue) superintegrable systems in an efficient manner: there is a 1-1 correspondence between Laplace superintegrable systems and Stäckel equivalence classes of Helmholtz superintegrable systems. In this paper we focus on superintegrable systems in two-dimensions, n = 2, where there are 44 Helmholtz systems, corresponding to 12 Laplace systems. For each Laplace equation we determine the possible two-variate polynomial subspaces that are invariant under the action of the Laplace operator, thus leading to families of polynomial eigenfunctions. We also study the behavior of the polynomial invariant subspaces under a Stäckel transform. The principal new results are the details of the polynomial variables and the conditions on parameters of the potential corresponding to polynomial solutions. The hidden gl 3-algebraic structure is exhibited for the exact and quasi-exact systems. For physically meaningful solutions, the orthogonality properties and normalizability of the polynomials are presented as well. Finally, for all Helmholtz superintegrable solvable systems we give a unified construction of one-dimensional (1D) and two-dimensional (2D) quasi-exactly solvable potentials possessing polynomial solutions, and a construction of new 2D PT-symmetric potentials is established.

  17. Asymmetric 2D spatial beam filtering by photonic crystals

    NASA Astrophysics Data System (ADS)

    Gailevicius, D.; Purlys, V.; Maigyte, L.; Gaizauskas, E.; Peckus, M.; Gadonas, R.; Staliunas, K.

    2016-04-01

    Spatial filtering techniques are important for improving the spatial quality of light beams. Photonic crystals (PhCs) with a selective spatial (angular) transmittance can also provide spatial filtering with the added benefit transversal symmetries, submillimeter dimensions and monolithic integration in other devices, such as micro-lasers or semiconductor lasers. Workable bandgap PhC configurations require a modulated refractive index with period lengths that are approximately less than the wavelength of radiation. This imposes technical limitations, whereby the available direct laser write (DLW) fabrication techniques are limited in resolution and refractive index depth. If, however, a deflection mechanism is chosen instead, a functional filter PhC can be produced that is operational in the visible wavelength regime. For deflection based PhCs glass is an attractive choice as it is highly stable medium. 2D and 3D PhC filter variations have already been produced on soda-lime glass. However, little is known about how to control the scattering of PhCs when approaching the smallest period values. Here we look into the internal structure of the initially symmetric geometry 2D PhCs and associating it with the resulting transmittance spectra. By varying the DLW fabrication beam parameters and scanning algorithms, we show that such PhCs contain layers that are comprised of semi-tilted structure voxels. We show the appearance of asymmetry can be compensated in order to circumvent some negative effects at the cost of potentially maximum scattering efficiency.

  18. New Approach for 2D Readout of GEM Detectors

    SciTech Connect

    Hasell, Douglas K

    2011-10-29

    Detectors based on Gas Electron Multiplication (GEM) technology are becoming more and more widely used in nuclear and high energy physics and are being applied in astronomy, medical physics, industry, and homeland security. GEM detectors are thin, low mass, insensitive to magnetic fields, and can currently provide position resolutions down to {approx}50 microns. However, the designs for reconstructing the position, in two dimensions (2D), of the charged particles striking a GEM detector are often complicated to fabricate and expensive. The objective of this proposal is to investigate a simpler procedure for producing the two dimensional readout layer of GEM detectors using readily available printed circuit board technology which can be tailored to the detector requirements. We will use the established GEM laboratory and facilities at M.I.T. currently employed in developing GEM detectors for the STAR forward tracking upgrade to simplify the testing and evaluation of the new 2D readout designs. If this new design proves successful it will benefit future nuclear and high energy physics experiments already being planned and will similarly extend and simplify the application of GEM technology to other branches of science, medicine, and industry. These benefits would be not only in lower costs for fabrication but also it increased flexibility for design and application.

  19. MESH2D GRID GENERATOR DESIGN AND USE

    SciTech Connect

    Flach, G.; Smith, F.

    2012-01-20

    Mesh2d is a Fortran90 program designed to generate two-dimensional structured grids of the form [x(i),y(i,j)] where [x,y] are grid coordinates identified by indices (i,j). The x(i) coordinates alone can be used to specify a one-dimensional grid. Because the x-coordinates vary only with the i index, a two-dimensional grid is composed in part of straight vertical lines. However, the nominally horizontal y(i,j{sub 0}) coordinates along index i are permitted to undulate or otherwise vary. Mesh2d also assigns an integer material type to each grid cell, mtyp(i,j), in a user-specified manner. The complete grid is specified through three separate input files defining the x(i), y(i,j), and mtyp(i,j) variations. The overall mesh is constructed from grid zones that are typically then subdivided into a collection of smaller grid cells. The grid zones usually correspond to distinct materials or larger-scale geometric shapes. The structured grid zones are identified through uppercase indices (I,J). Subdivision of zonal regions into grid cells can be done uniformly, or nonuniformly using either a polynomial or geometric skewing algorithm. Grid cells may be concentrated backward, forward, or toward both ends. Figure 1 illustrates the above concepts in the context of a simple four zone grid.

  20. 2D Quantum Transport Modeling in Nanoscale MOSFETs

    NASA Technical Reports Server (NTRS)

    Svizhenko, Alexei; Anantram, M. P.; Govindan, T. R.; Biegel, B.

    2001-01-01

    We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions, oxide tunneling and phase-breaking scattering are treated on an equal footing. Electron bandstructure is treated within the anisotropic effective mass approximation. We present the results of our simulations of MIT 25 and 90 nm "well-tempered" MOSFETs and compare them to those of classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. These results are consistent with 1D Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and subthreshold current has been studied. The shorter gate length device has an order of magnitude smaller leakage current than the longer gate length device without a significant trade-off in on-current.

  1. Suspended 2-D photonic crystal aluminum nitride membrane reflector.

    PubMed

    Ho, Chong Pei; Pitchappa, Prakash; Soon, Bo Woon; Lee, Chengkuo

    2015-04-20

    We experimentally demonstrated a free-standing two-dimensional (2-D) photonic crystal (PhC) aluminum nitride (AlN) membrane to function as a free space (or out-of-plane) reflector working in the mid infrared region. By etching circular holes of radius 620nm in a 330nm thick AlN slab, greater than 90% reflection was measured from 3.08μm to 3.78μm, with the peak reflection of 96% at 3.16μm. Due to the relatively low refractive index of AlN, we also investigated the importance of employing methods such as sacrificial layer release to enhance the performance of the PhC. In addition, characterization of the AlN based PhC was also done up to 450°C to examine the impact of thermo-optic effect on the performance. Despite the high temperature operation, the redshift in the peak reflection wavelengths of the device was estimated to be only 14.1nm. This equates to a relatively low thermo-optic coefficient 2.22 × 10(-5) K(-1) for AlN. Such insensitivity to thermo-optic effect makes AlN based 2-D PhC a promising technology to be used as photonic components for high temperature applications such as Fabry-Perot interferometer used for gas sensing in down-hole oil drilling and ruggedized electronics.

  2. Preconditioning 2D Integer Data for Fast Convex Hull Computations

    PubMed Central

    2016-01-01

    In order to accelerate computing the convex hull on a set of n points, a heuristic procedure is often applied to reduce the number of points to a set of s points, s ≤ n, which also contains the same hull. We present an algorithm to precondition 2D data with integer coordinates bounded by a box of size p × q before building a 2D convex hull, with three distinct advantages. First, we prove that under the condition min(p, q) ≤ n the algorithm executes in time within O(n); second, no explicit sorting of data is required; and third, the reduced set of s points forms a simple polygonal chain and thus can be directly pipelined into an O(n) time convex hull algorithm. This paper empirically evaluates and quantifies the speed up gained by preconditioning a set of points by a method based on the proposed algorithm before using common convex hull algorithms to build the final hull. A speedup factor of at least four is consistently found from experiments on various datasets when the condition min(p, q) ≤ n holds; the smaller the ratio min(p, q)/n is in the dataset, the greater the speedup factor achieved. PMID:26938221

  3. A 2D simulation model for urban flood management

    NASA Astrophysics Data System (ADS)

    Price, Roland; van der Wielen, Jonathan; Velickov, Slavco; Galvao, Diogo

    2014-05-01

    The European Floods Directive, which came into force on 26 November 2007, requires member states to assess all their water courses and coast lines for risk of flooding, to map flood extents and assets and humans at risk, and to take adequate and coordinated measures to reduce the flood risk in consultation with the public. Flood Risk Management Plans are to be in place by 2015. There are a number of reasons for the promotion of this Directive, not least because there has been much urban and other infrastructural development in flood plains, which puts many at risk of flooding along with vital societal assets. In addition there is growing awareness that the changing climate appears to be inducing more frequent extremes of rainfall with a consequent increases in the frequency of flooding. Thirdly, the growing urban populations in Europe, and especially in the developing countries, means that more people are being put at risk from a greater frequency of urban flooding in particular. There are urgent needs therefore to assess flood risk accurately and consistently, to reduce this risk where it is important to do so or where the benefit is greater than the damage cost, to improve flood forecasting and warning, to provide where necessary (and possible) flood insurance cover, and to involve all stakeholders in decision making affecting flood protection and flood risk management plans. Key data for assessing risk are water levels achieved or forecasted during a flood. Such levels should of course be monitored, but they also need to be predicted, whether for design or simulation. A 2D simulation model (PriceXD) solving the shallow water wave equations is presented specifically for determining flood risk, assessing flood defense schemes and generating flood forecasts and warnings. The simulation model is required to have a number of important properties: -Solve the full shallow water wave equations using a range of possible solutions; -Automatically adjust the time step and

  4. Evaluation of storage phosphor imaging for quantitative analysis of 2-D gels using the Quest II system.

    PubMed

    Patterson, S D; Latter, G I

    1993-12-01

    The advent of storage phosphor technology has been of considerable benefit to the imaging of gel-separated radiolabeled proteins due to the rapid and quantitative nature of the data acquisition process. Previously, times over one month were required to obtain fluorographs of the same gel to yield data of sufficient dynamic range for quantitative analysis of high-resolution two-dimensional (2-D) gels. As we are in the process of building a human 2-D gel protein database, and therefore have a high throughput of 2-D gels both to image and quantitate using the Quest II software, we undertook an evaluation of a storage phosphor imager, including an evaluation of signal fade. The results of this evaluation demonstrate the feasibility of using such a system, and we describe the procedures that allow us to use this technique for quantitative analysis of many complex 2-D gel patterns. These procedures include a useful batch printing program that allows printing of many images in a non-interactive mode. Examples will be presented of how autoradiography, using storage phosphor plates and the Quest II system, have enabled us to begin building a human 2-D gel protein database including posttranslational modification information, without the previous time constraints associated with such a project.

  5. 3D/2D image registration using weighted histogram of gradient directions

    NASA Astrophysics Data System (ADS)

    Ghafurian, Soheil; Hacihaliloglu, Ilker; Metaxas, Dimitris N.; Tan, Virak; Li, Kang

    2015-03-01

    Three dimensional (3D) to two dimensional (2D) image registration is crucial in many medical applications such as image-guided evaluation of musculoskeletal disorders. One of the key problems is to estimate the 3D CT- reconstructed bone model positions (translation and rotation) which maximize the similarity between the digitally reconstructed radiographs (DRRs) and the 2D fluoroscopic images using a registration method. This problem is computational-intensive due to a large search space and the complicated DRR generation process. Also, finding a similarity measure which converges to the global optimum instead of local optima adds to the challenge. To circumvent these issues, most existing registration methods need a manual initialization, which requires user interaction and is prone to human error. In this paper, we introduce a novel feature-based registration method using the weighted histogram of gradient directions of images. This method simplifies the computation by searching the parameter space (rotation and translation) sequentially rather than simultaneously. In our numeric simulation experiments, the proposed registration algorithm was able to achieve sub-millimeter and sub-degree accuracies. Moreover, our method is robust to the initial guess. It can tolerate up to +/-90°rotation offset from the global optimal solution, which minimizes the need for human interaction to initialize the algorithm.

  6. Observation of 2D Ising criticality of liquid-gas transition by the flowgram method

    NASA Astrophysics Data System (ADS)

    Yarmolinsky, Max; Kuklov, Anatoly

    We study the critical properties of the transition in 2D liquid-gas system with the square-well potential interaction by Monte Carlo simulations in the grand canonical ensemble. Due to lack of the underlying Ising symmetry, the analysis cannot be done reliably by the standard methods applicable to lattice systems. In contrast, the analysis based on the flowgram method allowed us to find the critical point to significantly higher (and controllable) accuracy than in previous studies by other authors. Simulations were performed in a progression of sizes L up to size L = 84 , with the particle numbers varying over 3 orders of magnitude and the subcritical behavior not extending beyond L = 10 - 15 . The finite size scaling analysis of the critical exponents and their ratio, μ and γ / ν , gives values consistent with the 2D Ising universality class within 1-2% of errors. Our result essentially closes proposals that the nature of the liquid-gas transition might be different from the Ising model in systems with short-range interactions. This work was supported by the NSF Grant PHY1314469.

  7. Strain hardening in 2D discrete dislocation dynamics simulations: A new '2.5D' algorithm

    NASA Astrophysics Data System (ADS)

    Keralavarma, S. M.; Curtin, W. A.

    2016-10-01

    The two-dimensional discrete dislocation dynamics (2D DD) method, consisting of parallel straight edge dislocations gliding on independent slip systems in a plane strain model of a crystal, is often used to study complicated boundary value problems in crystal plasticity. However, the absence of truly three dimensional mechanisms such as junction formation means that forest hardening cannot be modeled, unless additional so-called '2.5D' constitutive rules are prescribed for short-range dislocation interactions. Here, results from three dimensional dislocation dynamics (3D DD) simulations in an FCC material are used to define new constitutive rules for short-range interactions and junction formation between dislocations on intersecting slip systems in 2D. The mutual strengthening effect of junctions on preexisting obstacles, such as precipitates or grain boundaries, is also accounted for in the model. The new '2.5D' DD model, with no arbitrary adjustable parameters beyond those obtained from lower scale simulation methods, is shown to predict athermal hardening rates, differences in flow behavior for single and multiple slip, and latent hardening ratios. All these phenomena are well-established in the plasticity of crystals and quantitative results predicted by the model are in good agreement with experimental observations.

  8. Rotational Tunneling of CH2D2 Monolayers on MgO(100)

    NASA Astrophysics Data System (ADS)

    Hicks, Andrew; Larese, John

    2013-03-01

    Understanding the detailed nature of the interactions governing physisorption is a central topic in surface science, with wide ranging energy applications in heterogeneous catalysis, gas separation, and hydrogen storage. For systems with a strong interaction potential relative to the rotational constant of the adsorbate, adsorbed molecules are constrained to minima in the rotational potential. Adsorbed molecules may then tunnel through the rotational barrier between potential minima. Rotational tunneling spectra (RTS) are extremely sensitive to changes in the symmetry and strength of the rotational potential and are unmatched in their ability to probe the electrostatic potentials associated with adsorption sites. Furthermore, RTS can be clearly observed using inelastic neutron scattering. Building upon previous work of CH4 on MgO (see J.Z. Larese, Physica B, 1998), RTS of CH3D and CH2D2 are interpreted using the pocket state (PS) formalism developed by Hüller et al. The ground librational state of the adsorbate is split into twelve ``pockets'', each localized around one of twelve minima in the rotational potential. We report recent RTS of single monolayers of CH3D and CH2D2 adsorbed on the MgO(100) surface using BASIS at the SNS at ORNL. These pioneering measurements represent the highest resolution investigation available for this (or any other) RTS. The discussion will include challenges in reconciling the transitions predicted by PS theory and the features observed in the experimental data.

  9. A fast and accurate method to predict 2D and 3D aerodynamic boundary layer flows

    NASA Astrophysics Data System (ADS)

    Bijleveld, H. A.; Veldman, A. E. P.

    2014-12-01

    A quasi-simultaneous interaction method is applied to predict 2D and 3D aerodynamic flows. This method is suitable for offshore wind turbine design software as it is a very accurate and computationally reasonably cheap method. This study shows the results for a NACA 0012 airfoil. The two applied solvers converge to the experimental values when the grid is refined. We also show that in separation the eigenvalues remain positive thus avoiding the Goldstein singularity at separation. In 3D we show a flow over a dent in which separation occurs. A rotating flat plat is used to show the applicability of the method for rotating flows. The shown capabilities of the method indicate that the quasi-simultaneous interaction method is suitable for design methods for offshore wind turbine blades.

  10. A Numerical Analysis of Sloshing Fluid in 2D Tanks with Baffles

    NASA Astrophysics Data System (ADS)

    Wu, C. H.; Chen, B. F.

    2011-09-01

    A tuned liquid damper (TLD) is one possible damping device of tall buildings under wind and earthquake excitations. A 2D tank with a vertically tank bottom-mounted baffle under horizontal excitation is studied in this work. The combination of time-independent finite difference method [1-3] and one-dimensional ghost cell approach was implemented to solve liquid sloshing in the baffled tank. The correlation between the movement of baffles and flow field due to liquid sloshing might to the clue to investigate the evolution of vortices around the baffle tip. We categorize the interaction process of vortices evolution into three phases: (1) Formation of separated shear layer and generation of vortices; (2) Formation of a vertical jet and shedding of vortices; (3) Interaction between shedding vortices and sloshing flow: the generation of snaky flow.

  11. Magnetoresistance in Co/2D MoS2/Co and Ni/2D MoS2/Ni junctions.

    PubMed

    Zhang, Han; Ye, Meng; Wang, Yangyang; Quhe, Ruge; Pan, Yuanyuan; Guo, Ying; Song, Zhigang; Yang, Jinbo; Guo, Wanlin; Lu, Jing

    2016-06-28

    Semiconducting single-layer (SL) and few-layer MoS2 have a flat surface, free of dangling bonds. Using density functional theory coupled with non-equilibrium Green's function method, we investigate the spin-polarized transport properties of Co/2D MoS2/Co and Ni/2D MoS2/Ni junctions with MoS2 layer numbers of N = 1, 3, and 5. Well-defined interfaces are formed between MoS2 and metal electrodes. The junctions with a SL MoS2 spacer are almost metallic owing to the strong coupling between MoS2 and the ferromagnets, while those are tunneling with a few layer MoS2 spacer. Both large magnetoresistance and tunneling magnetoresistance are found when fcc or hcp Co is used as an electrode. Therefore, flat single- and few-layer MoS2 can serve as an effective nonmagnetic spacer in a magnetoresistance or tunneling magnetoresistance device with a well-defined interface.

  12. Magnetoresistance in Co/2D MoS2/Co and Ni/2D MoS2/Ni junctions.

    PubMed

    Zhang, Han; Ye, Meng; Wang, Yangyang; Quhe, Ruge; Pan, Yuanyuan; Guo, Ying; Song, Zhigang; Yang, Jinbo; Guo, Wanlin; Lu, Jing

    2016-06-28

    Semiconducting single-layer (SL) and few-layer MoS2 have a flat surface, free of dangling bonds. Using density functional theory coupled with non-equilibrium Green's function method, we investigate the spin-polarized transport properties of Co/2D MoS2/Co and Ni/2D MoS2/Ni junctions with MoS2 layer numbers of N = 1, 3, and 5. Well-defined interfaces are formed between MoS2 and metal electrodes. The junctions with a SL MoS2 spacer are almost metallic owing to the strong coupling between MoS2 and the ferromagnets, while those are tunneling with a few layer MoS2 spacer. Both large magnetoresistance and tunneling magnetoresistance are found when fcc or hcp Co is used as an electrode. Therefore, flat single- and few-layer MoS2 can serve as an effective nonmagnetic spacer in a magnetoresistance or tunneling magnetoresistance device with a well-defined interface. PMID:27257639

  13. Role of cytochrome P450 2D6 genetic polymorphism in carvedilol hydroxylation in vitro

    PubMed Central

    Wang, Zhe; Wang, Li; Xu, Ren-ai; Zhan, Yun-yun; Huang, Cheng-ke; Dai, Da-peng; Cai, Jian-ping; Hu, Guo-xin

    2016-01-01

    Cytochrome P450 2D6 (CYP2D6) is a highly polymorphic enzyme that catalyzes the metabolism of a great number of therapeutic drugs. Up to now, >100 allelic variants of CYP2D6 have been reported. Recently, we identified 22 novel variants in the Chinese population in these variants. The purpose of this study was to examine the enzymatic activity of the variants toward the CYP2D6 substrate carvedilol in vitro. The CYP2D6 proteins, including CYP2D6.1 (wild type), CYP2D6.2, CYP2D6.10, and 22 other novel CYP2D6 variants, were expressed from insect microsomes and incubated with carvedilol ranging from 1.0 μM to 50 μM at 37°C for 30 minutes. After termination, the carvedilol metabolites were extracted and detected using ultra-performance liquid chromatography tandem mass-spectrometry. Among the 24 CYP2D6 variants, CYP2D6.92 and CYP2D6.96 were catalytically inactive and the remaining 22 variants exhibited significantly decreased intrinsic clearance values (ranging from ~25% to 95%) compared with CYP2D6.1. The present data in vitro suggest that the newly found variants significantly reduced catalytic activities compared with CYP2D6.1. Given that CYP2D6 protein activities could affect carvedilol plasma levels, these findings are greatly relevant to personalized medicine. PMID:27354764

  14. IL-2-activated haploidentical NK cells restore NKG2D-mediated NK-cell cytotoxicity in neuroblastoma patients by scavenging of plasma MICA.

    PubMed

    Kloess, Stephan; Huenecke, Sabine; Piechulek, Daniel; Esser, Ruth; Koch, Joachim; Brehm, Claudia; Soerensen, Jan; Gardlowski, Tanja; Brinkmann, Andrea; Bader, Peter; Passweg, Jakob; Klingebiel, Thomas; Schwabe, Dirk; Koehl, Ulrike

    2010-11-01

    NK group 2D (NKG2D)-expressing NK cells exhibit cytolytic activity against various tumors after recognition of the cellular ligand MHC class I chain-related gene A (MICA). However, release of soluble MICA (sMICA) compromises NKG2D-dependent NK-cell cytotoxicity leading to tumor escape from immunosurveillance. Although some molecular details of the NKG2D-MICA interaction have been elucidated, its impact for donor NK (dNK) cell-based therapy of solid tumors has not been studied. Within an ongoing phase I/II trial, we used allogeneic IL-2 activated dNK cells after haploidentical stem cell transplantation for immunotherapy of patients with high-risk stage IV neuroblastoma. NKG2D levels on activated dNK cells increased strongly when compared with freshly isolated dNK cells and correlated with enhanced NK-cell cytotoxicity. Most importantly, elevated sMICA levels in patients plasma correlated significantly with impaired dNK-cell-mediated cytotoxicity. This effect could be reversed by high-dose infusion of activated dNK cells, which display high levels of surface NKG2D. Our data suggest that the provided excess of NKG2D leads to clearance of sMICA and preserves cytotoxicity of dNK cells via non-occupied NKG2D. In conclusion, our results identify this tumor immune escape mechanism as a target to improve immunotherapy of neuroblastoma and presumably other tumors.

  15. 2-D soft x-ray arrays in the EAST

    NASA Astrophysics Data System (ADS)

    Chen, Kaiyun; Xu, Liqing; Hu, Liqun; Duan, Yanmin; Li, Xueqin; Yuan, Yi; Mao, Songtao; Sheng, Xiuli; Zhao, Jinlong

    2016-06-01

    A high spatial and temporal resolution soft x-ray (SXR) imaging diagnostic has been installed in EAST for the study of magnetohydrodynamics activities and core high-Z impurity transport. Up to 122 lines of sight view the poloidal plasma from three directions (two up-down symmetrical horizontal arrays and one vertical array), which renders the diagnostic able to provide detailed tomographic reconstructions under various conditions. Fourier-Bessel method based on flux coordinates was employed for 2-D SXR tomographic reconstruction. Examples of several events measured by SXR diagnostic in EAST are shown, namely the crash patterns of sawtooth, periodical burst of edge localized modes, and the transport of high-Z intrinsic impurities.

  16. Helical Quantum Edge Gears in 2D Topological Insulators

    NASA Astrophysics Data System (ADS)

    Chou, Yang-Zhi; Levchenko, Alex; Foster, Matthew

    A remarkable and as-yet-unexploited aspect of topological insulator (TI) physics is the topology of the edge states, i.e. the fact that the edge liquid of a 2D TI forms a closed, unbreakable loop in the absence of electrical contacts or magnetic fields. We propose a novel experimental setup in which edge loops rotate as interlocking ``gears'' through Coulomb drag, in TIs with Rashba spin-orbit coupling. We show that two-terminal transport can measure the Luttinger liquid parameter K, a quantity that is otherwise notoriously difficult to measure. In the low-temperature (T --> 0) perfect drag regime, the conductance is (e2 / h) (2 K + 1) / (K + 1) . At higher T we predict a conductivity ~T - 4 K + 3 . Our results should trigger new experiments and may open a new venue for edge gear-based electronic devices.Ref: Phys. Rev. Lett. 115, 186404 (2015)

  17. areaDetector: Software for 2-D Detectors in EPICS

    SciTech Connect

    Rivers, M.

    2011-09-23

    areaDetector is a new EPICS module designed to support 2-D detectors. It is modular C++ code that greatly simplifies the task of writing support for a new detector. It also supports plugins, which receive detector data from the driver and process it in some way. Existing plugins perform Region-Of-Interest extraction and analysis, file saving (in netCDF, HDF, TIFF and JPEG formats), color conversion, and export to EPICS records for image display in clients like ImageJ and IDL. Drivers have now been written for many of the detectors commonly used at synchrotron beamlines, including CCDs, pixel array and amorphous silicon detectors, and online image plates.

  18. Antiferromagnetism in 2D arrays of superconducting rings

    NASA Astrophysics Data System (ADS)

    Davidović, D.; Kumar, S.; Reich, D. H.; Siegel, J.; Field, S. B.; Tiberio, R. C.; Hey, R.; Ploog, K.

    1996-03-01

    An array of isolated superconducting rings at Φ_0/2 applied flux is equivalent to a 2D random field Ising antiferromagnet. The quantized magnetic moments of the rings play the role of Ising spins, and small variations in the rings' areas lead to a Gaussian random field. Using SQUID magnetometry and scanning Hall probe microscopy, we studied the dynamics and antiferromagnetic correlations of arrays of micron-size Al rings, arranged on square, honeycomb, triangular, and kagomé lattices. All the arrays exhibit short range antiferromagnetic order. Spin freezing at low temperatures and the random field prevent the development of long range correlations on bipartite lattices. Effects of geometrical frustration on the triangular and kagomé lattices were also observed.

  19. Electrical spin injection in 2D semiconductors and topological insulators

    SciTech Connect

    Golub, L. E.; Ivchenko, E. L.

    2013-12-04

    We have developed a theory of spin orientation by electric current in 2D semiconductors. It is shown that the spin depends on the relation between the energy and spin relaxation times and can vary by a factor of two for the limiting cases of fast and slow energy relaxation. For symmetrically-doped (110)-grown semiconductor quantum wells the effect of current-induced spin orientation is shown to exist due to random spatial variation of the Rashba spin-orbit splitting. We demonstrate that the spin depends strongly on the correlation length of this random spin-orbit field. We calculate the spin orientation degree in two-dimensional topological insulators. In high electric fields when the “streaming” regime is realized, the spin orientation degree weakly depends on the electric field and can reach values about 5%.

  20. 2D quantum gravity at three loops: A counterterm investigation

    NASA Astrophysics Data System (ADS)

    Leduc, Lætitia; Bilal, Adel

    2016-02-01

    We analyze the divergences of the three-loop partition function at fixed area in 2D quantum gravity. Considering the Liouville action in the Kähler formalism, we extract the coefficient of the leading divergence ∼ AΛ2(ln ⁡ AΛ2) 2. This coefficient is non-vanishing. We discuss the counterterms one can and must add and compute their precise contribution to the partition function. This allows us to conclude that every local and non-local divergence in the partition function can be balanced by local counterterms, with the only exception of the maximally non-local divergence (ln ⁡ AΛ2) 3. Yet, this latter is computed and does cancel between the different three-loop diagrams. Thus, requiring locality of the counterterms is enough to renormalize the partition function. Finally, the structure of the new counterterms strongly suggests that they can be understood as a renormalization of the measure action.