NIMROD Simulations of the HIT-SI and HIT-SI3 Devices

Science.gov (United States)

Morgan, Kyle; Jarboe, Tom; Hossack, Aaron; Chandra, Rian; Everson, Chris

2017-10-01

The Helicity Injected Torus with Steady Inductive helicity injection (HIT-SI) experiment uses a set of inductively driven helicity injectors to apply non-axisymmetric current drive on the edge of the plasma, driving an axisymmetric spheromak equilibrium in a central confinement volume. Significant improvements have been made to extended MHD modeling of HIT-SI, with both the resolution of disagreement at high injector frequencies in HIT-SI in addition to successes with the new upgraded HIT-SI3 device. Previous numerical studies of HIT-SI, using a zero-beta eMHD model, focused on operations with a drive frequency of 14.5 kHz, and found reduced agreement with both the magnetic profile and current amplification at higher frequencies (30-70 kHz). HIT-SI3 has three helicity injectors which are able to operate with different mode structures of perturbations through the different relative temporal phasing of the injectors. Simulations that allow for pressure gradients have been performed in the parameter regimes of both devices using the NIMROD code and show improved agreement with experimental results, most notably capturing the observed Shafranov-shift due to increased beta observed at higher finj in HIT-SI and the variety of toroidal perturbation spectra available in HIT-SI3. This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences under Award Number DE-FG02- 96ER54361.

Release of Si from Silicon, a Ferrosilicon (FeSi) Alloy and a Synthetic Silicate Mineral in Simulated Biological Media

Science.gov (United States)

Herting, Gunilla; Jiang, Tao; Sjöstedt, Carin; Odnevall Wallinder, Inger

2014-01-01

Unique quantitative bioaccessibility data has been generated, and the influence of surface/material and test media characteristics on the elemental release process were assessed for silicon containing materials in specific synthetic body fluids at certain time periods at a fixed loading. The metal release test protocol, elaborated by the KTH team, has previously been used for classification, ranking, and screening of different alloys and metals. Time resolved elemental release of Si, Fe and Al from particles, sized less than 50 µm, of two grades of metallurgical silicon (high purity silicon, SiHG, low purity silicon, SiLG), an alloy (ferrosilicon, FeSi) and a mineral (aluminium silicate, AlSi) has been investigated in synthetic body fluids of varying pH, composition and complexation capacity, simple models of for example dermal contact and digestion scenarios. Individual methods for analysis of released Si (as silicic acid, Si(OH)4) in synthetic body fluids using GF-AAS were developed for each fluid including optimisation of solution pH and graphite furnace parameters. The release of Si from the two metallurgical silicon grades was strongly dependent on both pH and media composition with the highest release in pH neutral media. No similar effect was observed for the FeSi alloy or the aluminium silicate mineral. Surface adsorption of phosphate and lactic acid were believed to hinder the release of Si whereas the presence of citric acid enhanced the release as a result of surface complexation. An increased presence of Al and Fe in the material (low purity metalloid, alloy or mineral) resulted in a reduced release of Si in pH neutral media. The release of Si was enhanced for all materials with Al at their outermost surface in acetic media. PMID:25225879

Release of Si from silicon, a ferrosilicon (FeSi alloy and a synthetic silicate mineral in simulated biological media.

Directory of Open Access Journals (Sweden)

Gunilla Herting

Full Text Available Unique quantitative bioaccessibility data has been generated, and the influence of surface/material and test media characteristics on the elemental release process were assessed for silicon containing materials in specific synthetic body fluids at certain time periods at a fixed loading. The metal release test protocol, elaborated by the KTH team, has previously been used for classification, ranking, and screening of different alloys and metals. Time resolved elemental release of Si, Fe and Al from particles, sized less than 50 µm, of two grades of metallurgical silicon (high purity silicon, SiHG, low purity silicon, SiLG, an alloy (ferrosilicon, FeSi and a mineral (aluminium silicate, AlSi has been investigated in synthetic body fluids of varying pH, composition and complexation capacity, simple models of for example dermal contact and digestion scenarios. Individual methods for analysis of released Si (as silicic acid, Si(OH4 in synthetic body fluids using GF-AAS were developed for each fluid including optimisation of solution pH and graphite furnace parameters. The release of Si from the two metallurgical silicon grades was strongly dependent on both pH and media composition with the highest release in pH neutral media. No similar effect was observed for the FeSi alloy or the aluminium silicate mineral. Surface adsorption of phosphate and lactic acid were believed to hinder the release of Si whereas the presence of citric acid enhanced the release as a result of surface complexation. An increased presence of Al and Fe in the material (low purity metalloid, alloy or mineral resulted in a reduced release of Si in pH neutral media. The release of Si was enhanced for all materials with Al at their outermost surface in acetic media.

Simulation of spheroidisation of elongated Si-particle in Al-Si alloys by the phase-field model

International Nuclear Information System (INIS)

Kovacevic, I.

2008-01-01

The application of the phase-field model for spheroidisation of undissolvable particles during high-temperature treatment of alloys is pointed out. Modelling of the spheroidisation of elongated Si-particles during annealing of Al-Si alloy is elaborated in this paper. The driving force for spheroidisation is the minimization of the total free-energy of the system or the minimization of the ratio between the interface areas and the particle volumes. The spheroidisation kinetics of elongated Si-particle for binary Al-Si system during homogenisation of aluminium alloys simulated by the phase-field model is demonstrated. The influences of the interface energy and the homogenisation temperature on the spheroidisation kinetics is presented. The lack of knowledge of the interface energy anisotropy between Si-particle and the aluminium phase is the only reason for using isotropic interface energy in simulations. The thermodynamic driving force for the phase transformation of the silicon into the aluminium phase is computed from the data obtained from the JMatPro software for aluminium alloys

Effect of superimposed low frequency oscillations on the static creep behaviour of Al-1 wt%Si and Al-1 wt%Si-0.1 wt%Zr-0.1 wt%Ti alloys

Energy Technology Data Exchange (ETDEWEB)

Beshai, M.H.N. [Ain Shams Univ., Cairo (Egypt). Dept. of Physics; Deaf, G.H. [Ain Shams Univ., Cairo (Egypt). Dept. of Physics; Abd El Khalek, A.M. [Ain Shams Univ., Cairo (Egypt). Dept. of Physics; Graiss, G. [Ain Shams Univ., Cairo (Egypt). Dept. of Physics; Kenawy, M.A. [Physics Dept., University Coll. for Women, Ain Shams Univ., Cairo (Egypt)

1997-05-16

Torsional oscillations of increasing frequencies with constant torsional strain amplitude, {theta}, of 3.1 x 10{sup -4} were superimposed on wires of Al-1 wt% Si and Al-1 wt% Si-0.1 wt% Zr-0.1 wt% Ti alloys, while being crept under constant stress (52.3 MPa) and different testing temperatures. It was found that increasing the frequency of oscillations resulted in an increase of both transient and steady state creep. In the transient stage, while the exponent n is increasing with frequency v, the parameter {beta} decreases. Zirconium and titanium addition generally reduced the rate of creep. A value of 20 kJ/mol was found for the activation energy of the mechanism operating in the transient and steady state stages which was ascribed as being due to dislocation intersection. (orig.)

Discrete element simulation of internal stress in SiCp/aluminum ...

African Journals Online (AJOL)

SiCp / Al-Mg-Si matrix composite was prepared by pressureless Infiltration Process. By discrete element method, microcosmic two-dimensional numerical model of SiCp / Al matrix composites was established and the simulation of the size and distribution of micro-contact pressure and tension was performed from small load ...

Density-functional theory molecular dynamics simulations of a-HfO2/a-SiO2/SiGe and a-HfO2/a-SiO2/Ge with a-SiO2 and a-SiO suboxide interfacial layers

Science.gov (United States)

Chagarov, Evgueni A.; Kavrik, Mahmut S.; Fang, Ziwei; Tsai, Wilman; Kummel, Andrew C.

2018-06-01

Comprehensive Density-Functional Theory (DFT) Molecular Dynamics (MD) simulations were performed to investigate interfaces between a-HfO2 and SiGe or Ge semiconductors with fully-stoichiometric a-SiO2 or sub-oxide SiO interlayers. The electronic structure of the selected stacks was calculated with a HSE06 hybrid functional. Simulations were performed before and after hydrogen passivation of residual interlayer defects. For the SiGe substrate with Ge termination prior to H passivation, the stacks with a-SiO suboxide interlayer (a-HfO2/a-SiO/SiGe) demonstrate superior electronic properties and wider band-gaps than the stacks with fully coordinated a-SiO2 interlayers (a-HfO2/a-SiO2/SiGe). After H passivation, most of the a-HfO2/a-SiO2/SiGe defects are passivated. To investigate effect of random placement of Si and Ge atoms additional simulations with a randomized SiGe slab were performed demonstrating improvement of electronic structure. For Ge substrates, before H passivation, the stacks with a SiO suboxide interlayer (a-HfO2/a-SiO/Ge) also demonstrate wider band-gaps than the stacks with fully coordinated a-SiO2 interlayers (a-HfO2/a-SiO2/Ge). However, even for a-HfO2/a-SiO/Ge, the Fermi level is shifted close to the conduction band edge (CBM) consistent with Fermi level pinning. Again, after H passivation, most of the a-HfO2/a-SiO2/Ge defects are passivated. The stacks with fully coordinated a-SiO2 interlayers have much stronger deformation and irregularity in the semiconductor (SiGe or Ge) upper layers leading to multiple under-coordinated atoms which create band-edge states and decrease the band-gap prior to H passivation.

SiC nanoparticles as potential carriers for biologically active substances

Science.gov (United States)

Guevara-Lora, Ibeth; Czosnek, Cezary; Smycz, Aleksandra; Janik, Jerzy F.; Kozik, Andrzej

2009-01-01

Silicon carbide SiC thanks to its many advantageous properties has found numerous applications in diverse areas of technology. In this regard, its nanosized forms often with novel properties have been the subject of intense research in recent years. The aim of this study was to investigate the binding of biologically active substances onto SiC nanopowders as a new approach to biomolecule immobilization in terms of their prospective applications in medicine or for biochemical detection. The SiC nanoparticles were prepared by a two-stage aerosol-assisted synthesis from neat hexamethyldisiloxane. The binding of several proteins (bovine serum albumin, high molecular weight kininogen, immunoglobulin G) on SiC particle surfaces was demonstrated at the levels of 1-2 nanograms per mg of SiC. These values were found to significantly increase after suitable chemical modifications of nanoparticle surfaces (by carbodiimide or 3-aminopropyltrietoxysilane treatment). The study of SiC biocompatibility showed a lack of cytotoxicity against macrophages-like cells below the concentration of 1 mg nanoparticles per mL. In summary, we demonstrated the successful immobilization of the selected substances on the SiC nanoparticles. These results including the cytotoxicity study make nano-SiC highly attractive for potential applications in medicine, biotechnology or molecular detection.

A System Structure for a VHTR-SI Process Dynamic Simulation Code

International Nuclear Information System (INIS)

Chang, Jiwoon; Shin, Youngjoon; Kim, Jihwan; Lee, Kiyoung; Lee, Wonjae; Chang, Jonghwa; Youn, Cheung

2008-01-01

The VHTR-SI process dynamic simulation code embedded in a mathematical solution engine is an application software system that simulates the dynamic behavior of the VHTR-SI process. Also, the software system supports a user friendly graphical user interface (GUI) for user input/out. Structured analysis techniques were developed in the late 1970s by Yourdon, DeMarco, Gane and Sarson for applying a systematic approach to a systems analysis. It included the use of data flow diagrams and data modeling and fostered the use of an implementation-independent graphical notation for a documentation. In this paper, we present a system structure for a VHRT-SI process dynamic simulation code by using the methodologies of structured analysis

Fabrication and simulation of single crystal p-type Si nanowire using SOI technology

International Nuclear Information System (INIS)

Dehzangi, Arash; Larki, Farhad; Naseri, Mahmud G.; Navasery, Manizheh; Majlis, Burhanuddin Y.; Razip Wee, Mohd F.; Halimah, M.K.; Islam, Md. Shabiul; Md Ali, Sawal H.; Saion, Elias

2015-01-01

Highlights: • Single crystal silicon nanowire is fabricated on Si on insulator substrate, using atomic force microscope (AFM) nanolithography and KOH + IPA chemical wet etching. • Some of major parameters in fabrication process, such as writing speed and applied voltage along with KOH etching depth are investigated, and then the I–V characteristic of Si nanowires is measured. • For better understanding of the charge transmission through the nanowire, 3D-TCAD simulation is performed to simulate the Si nanowires with the same size of the fabricated ones, and variation of majority and minority carriers, hole quasi-Fermi level and generation/recombination rate are investigated. - Abstract: Si nanowires (SiNWs) as building blocks for nanostructured materials and nanoelectronics have attracted much attention due to their major role in device fabrication. In the present work a top-down fabrication approach as atomic force microscope (AFM) nanolithography was performed on Si on insulator (SOI) substrate to fabricate a single crystal p-type SiNW. To draw oxide patterns on top of the SOI substrate local anodic oxidation was carried out by AFM in contact mode. After the oxidation procedure, an optimized solution of 30 wt.% KOH with 10 vol.% IPA for wet etching at 63 °C was applied to extract the nanostructure. The fabricated SiNW had 70–85 nm full width at half maximum width, 90 nm thickness and 4 μm length. The SiNW was simulated using Sentaurus 3D software with the exact same size of the fabricated device. I–V characterization of the SiNW was measured and compared with simulation results. Using simulation results variation of carrier's concentrations, valence band edge energy and recombination generation rate for different applied voltage were investigated

Fabrication and simulation of single crystal p-type Si nanowire using SOI technology

Energy Technology Data Exchange (ETDEWEB)

Dehzangi, Arash, E-mail: arashd53@hotmail.com [Institute of Microengineering and Nanoelectronics (IMEN), Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); Larki, Farhad [Institute of Microengineering and Nanoelectronics (IMEN), Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); Naseri, Mahmud G. [Department of Physics, Faculty of Science, Malayer University, Malayer, Hamedan (Iran, Islamic Republic of); Navasery, Manizheh [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 Serdang, Selangor (Malaysia); Majlis, Burhanuddin Y.; Razip Wee, Mohd F. [Institute of Microengineering and Nanoelectronics (IMEN), Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); Halimah, M.K. [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 Serdang, Selangor (Malaysia); Islam, Md. Shabiul; Md Ali, Sawal H. [Institute of Microengineering and Nanoelectronics (IMEN), Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); Saion, Elias [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 Serdang, Selangor (Malaysia)

2015-04-15

Highlights: • Single crystal silicon nanowire is fabricated on Si on insulator substrate, using atomic force microscope (AFM) nanolithography and KOH + IPA chemical wet etching. • Some of major parameters in fabrication process, such as writing speed and applied voltage along with KOH etching depth are investigated, and then the I–V characteristic of Si nanowires is measured. • For better understanding of the charge transmission through the nanowire, 3D-TCAD simulation is performed to simulate the Si nanowires with the same size of the fabricated ones, and variation of majority and minority carriers, hole quasi-Fermi level and generation/recombination rate are investigated. - Abstract: Si nanowires (SiNWs) as building blocks for nanostructured materials and nanoelectronics have attracted much attention due to their major role in device fabrication. In the present work a top-down fabrication approach as atomic force microscope (AFM) nanolithography was performed on Si on insulator (SOI) substrate to fabricate a single crystal p-type SiNW. To draw oxide patterns on top of the SOI substrate local anodic oxidation was carried out by AFM in contact mode. After the oxidation procedure, an optimized solution of 30 wt.% KOH with 10 vol.% IPA for wet etching at 63 °C was applied to extract the nanostructure. The fabricated SiNW had 70–85 nm full width at half maximum width, 90 nm thickness and 4 μm length. The SiNW was simulated using Sentaurus 3D software with the exact same size of the fabricated device. I–V characterization of the SiNW was measured and compared with simulation results. Using simulation results variation of carrier's concentrations, valence band edge energy and recombination generation rate for different applied voltage were investigated.

Magnetic phase transition in MnFeP0.5As0.4Si0.1

International Nuclear Information System (INIS)

Wang, J L; Campbell, S J; Tegus, O; Brueck, E; Dou, S X

2010-01-01

We have carried out a detailed investigation of the magnetic phase transition in MnFeP 0.5 As 0.4 Si 0.1 . Temperature hysteresis has been observed in the variable temperature magnetization curves (B appl = 0.01 T) with T C W ∼ 302 K on warming and T C C ∼ 292 K on cooling. The first order nature of this transition in MnFeP 0.5 As 0.4 Si 0.1 is confirmed by the negative slope obtained from isotherms of M 2 versus B/M around the critical temperature. Linear thermal expansion measurements reveal a large volume change, ΔV/V∼8.7x10 -3 at the magnetic phase transition and that this magnetovolume effect is suppressed to ΔV/V ∼ 5.5x10 -3 in an applied field of B appl = 1.0 T. Analyses of 57 Fe Moessbauer spectra (4.5 - 300 K) using a random distribution model and taking nearest-neighbour environments into account, indicate that the paramagnetic and ferromagnetic phases coexist over a temperature range of ∼ 45 K around the Curie temperature. The Debye temperature for MnFeP 0.5 As 0.4 Si 0.1 has been evaluated as θ D = 350 ± 20 K from the temperature dependence of the average isomer shift.

A Fast Electro-Thermal Co-Simulation Modeling Approach for SiC Power MOSFETs

DEFF Research Database (Denmark)

Ceccarelli, Lorenzo; Bahman, Amir Sajjad; Iannuzzo, Francesco

2017-01-01

The purpose of this work is to propose a novel electro-thermal co-simulation approach for the new generation of SiC MOSFETs, by development of a PSpice-based compact and physical SiC MOSFET model including temperature dependency of several parameters and a Simulink-based thermal network. The PSpice...... the FEM simulation of the DUT’s structure, performed in ANSYS Icepack. A MATLAB script is used to process the simulation data and feed the needed settings and parameters back into the simulation. The parameters for a CREE 1.2 kV/30 A SiC MOSFET have been identified and the electro-thermal model has been...

Compression behavior of Fe-Si-H alloys

Science.gov (United States)

Tagawa, S.; Ohta, K.; Hirose, K.; Ohishi, Y.

2015-12-01

Although the light elements in the Earth's core are still enigmatic, hydrogen has recently been receiving much attention. Planetary formation theory suggested that a large amount of water, much more than is in the oceans, could have been brought to the Earth during its accretion. Hydrogen is a strong siderophile element and could be incorporated into the core as a consequence of a reaction between water and molten iron in a magma ocean [Okuchi, 1997 Science]. Nevertheless, the effect of hydrogen on the property of iron is not well known so far. Here, we have experimentally examined the compression behavior of hcp Fe0.88Si0.12Hx (6.5 wt.% Si) at two different hydrogen concentrations (x = 0.7 and 0.9). Fe0.88Si0.12 foil was loaded into a diamond-anvil cell, and then liquid hydrogen was introduced to a sample chamber below 20 K. Hydrogenation occurred upon thermal annealing below 1500 K at 25-62 GPa, and hcp Fe0.88Si0.12Hx was obtained as a single phase. Unlike the Fe-H alloy, hydrogen did not fully occupy the octahedral sites even under hydrogen-saturated conditions. Two compression curves, one from 25 to 136 GPa, and the other from 62 to 128 GPa, were obtained at room temperature. While the effect of hydrogen on the compressibility of iron has been controversial in earlier experimental studies [Hirao et al., 2004 GRL; Pépin et al., 2014 PRL], our data indicate that the compressibility of Fe0.88Si0.12Hx alloy does not change with changing hydrogen content from x = 0 to 0.9. Such compression behavior observed is consistent with the recent ab initio calculations for hcp Fe-H alloys by Caracas[2015 GRL]. The extrapolation of present data to the outer core pressure and temperature range, assuming thermal expansivity is the same as that for iron and there is no density difference between solid and liquid, shows that the density of Fe0.88Si0.12H0.3 matches the PREM in the whole outer core within 1%.

Structural variations and dielectric properties of (Bi1-xL ax ) 2Si O5 (0 ≤x ≤0.1 ): Polycrystallines synthesized by crystallization of Bi-Si-O and Bi-La-Si-O glasses

Science.gov (United States)

Taniguchi, Hiroki; Tatewaki, Shingo; Yasui, Shintaro; Fujii, Yasuhiro; Yamaura, Jun-ichi; Terasaki, Ichiro

2018-04-01

This paper focuses on effects of isovalent La substitution on the crystal structure and dielectric properties of ferroelectric B i2Si O5 . Polycrystalline samples of (Bi1-xL ax ) 2Si O5 are synthesized by crystallization of Bi-Si-O and Bi-La-Si-O glasses with a composition range of 0 ≤x ≤0.1 . The crystal structure changes from monoclinic to tetragonal with increasing La-substitution rate x at room temperature. This structural variation stems from the change in orientation of Si O4 tetrahedra that form one-dimensional chains when they are in the ordered configuration, thus suggesting that lone-pair electrons play an important role in sustaining one-dimensional chains of Si O4 tetrahedra. Synchronizing with the disordering of Si O4 chains, ferroelectric phase transition temperature of (Bi1-xL ax ) 2Si O5 sharply decreases as x increases, and ferroelectricity finally vanishes at around x =0.03 . The present results demonstrate that lone-pair electrons of Bi play an important role in the ferroelectricity of B i2Si O5 through propping the ordered structure of one-dimensional Si O4 chains with stereochemical activity. Furthermore, an additional phase transition has been first discovered in the low-temperature region of (Bi1-xL ax ) 2Si O5 with x ≤0.01 , where the ordered one-dimensional Si O4 chains remain.

Atomistic simulations of thermal transport in Si and SiGe based materials: From bulk to nanostructures

Science.gov (United States)

Savic, Ivana; Mingo, Natalio; Donadio, Davide; Galli, Giulia

2010-03-01

It has been recently proposed that Si and SiGe based nanostructured materials may exhibit low thermal conductivity and overall promising properties for thermoelectric applications. Hence there is a considerable interest in developing accurate theoretical and computational methods which can help interpret recent measurements, identify the physical origin of the reduced thermal conductivity, as well as shed light on the interplay between disorder and nanostructuring in determining a high figure of merit. In this work, we investigate the capability of an atomistic Green's function method [1] to describe phonon transport in several types of Si and SiGe based systems: amorphous Si, SiGe alloys, planar and nanodot Si/SiGe multilayers. We compare our results with experimental data [2,3], and with the findings of molecular dynamics simulations and calculations based on the Boltzmann transport equation. [1] I. Savic, N. Mingo, and D. A. Stewart, Phys. Rev. Lett. 101, 165502 (2008). [2] S.-M. Lee, D. G. Cahill, and R. Venkatasubramanian, Appl. Phys. Lett. 70, 2957 (1997). [3] G. Pernot et al., submitted.

Numerical simulation of microstructure of the GeSi alloy

Energy Technology Data Exchange (ETDEWEB)

Rasin, I.

2006-09-08

The goal of this work is to investigate pattern formation processes on the solid-liquid interface during the crystal growth of GeSi. GeSi crystals with cellular structure have great potential for applications in -ray and neutron optics. The interface patterns induce small quasi-periodic distortions of the microstructure called mosaicity. Existence and properties of this mosaicity are important for the application of the crystals. The properties depend on many factors; this dependence, is currently not known even not qualitatively. A better understanding of the physics near the crystal surface is therefore required, in order to optimise the growth process. There are three main physical processes in this system: phase-transition, diffusion and melt flow. Every process is described by its own set of equations. Finite difference methods and lattice kinetic methods are taken for solving these governing equations. We have developed a modification of the kinetic methods for the advectiondiffusion and extended this method for simulations of non-linear reaction diffusion equations. The phase-field method was chosen as a tool for describing the phase-transition. There are numerous works applied for different metallic alloys. An attempt to apply the method directly to simulation GeSi crystal growth showed that this method is unstable. This instability has not been observed in previous works due to the much smaller scale of simulations. We introduced a modified phase-field scheme, which enables to simulate pattern formation with the scale observed in experiment. A flow in the melt was taken in to account in the numerical model. The developed numerical model allows us to investigate pattern formation in GeSi crystals. Modelling shows that the flow near the crystal surface has impact on the patterns. The obtained patterns reproduce qualitatively and in some cases quantitatively the experimental results. (orig.)

Simulation and investigation of SiPM’s leakage currents at low voltages

International Nuclear Information System (INIS)

Parygin, P P; Popova, E V; Grachev, V M

2017-01-01

Technology Computer-Aided Design (TCAD) allows us to use computers in order to develop semiconductor processing technologies and devices and optimize them. Within a framework of a study of silicon photomultipliers (SiPM) a simulation of these devices has been made. The simulation was performed for the irradiated SiPMs and current-voltage characteristics were obtained for the modeled devices. Investigation of current-voltage curve below breakdown with regard to the simulated structure was performed. Obtained curves are presented. (paper)

Magnetic Properties and Magnetocaloric Effect in Layered NdMn1.9Ti0.1Si2

Directory of Open Access Journals (Sweden)

M.F. Md Din

2014-04-01

Full Text Available The structural and magnetic properties of the NdMn1.9Ti0.1Si2 compund have been studied by high-intensity x-ray and high-resolution neutron powder diffraction, specific heat, dc magnetization, and differential scanning calorimetry measurements over the temperature range of 3-450 K. The Curie temperature and Néel temperature of layered NdMn1.9Ti0.1Si2 are indicated as TC ~ 22 K and TN ~ 374 K respectively. The first order magnetic transition from antiferromagnetic [AFil-type] to ferromagnetic [F(Nd+Fmc] around TC is found in layered NdMn1.9Ti0.1Si2 and is associated with large magnetocaloric effect. This behavior has been confirmed as a contribution of the magnetostructural coupling by using neutron and x-ray powder diffraction. The magnetic entropy change –ΔSM ~ 15.3 J kg-1 K-1 and adiabatic temperature change ΔTad ~ 4.7 K have been determined using magnetization and specific heat measurement under 0-5 T applied fields. This compound exhibits almost no thermal and magnetic hysteresis, thus potentially applicable in low temperature region for magnetic refrigerator material

NCBI nr-aa BLAST: CBRC-XTRO-01-0669 [SEVENS

Lifescience Database Archive (English)

Full Text Available CBRC-XTRO-01-0669 ref|YP_995209.1| DNA internalization-related competence protein C...omEC/Rec2 [Verminephrobacter eiseniae EF01-2] gb|ABM56191.1| DNA internalization-related competence protein ComEC/Rec2 [Verminephrobacter eiseniae EF01-2] YP_995209.1 0.002 27% ...

Molecular dynamics simulation of damage cascade creation in SiC composites containing SiC/graphite interface

Energy Technology Data Exchange (ETDEWEB)

Wallace, Joseph; Chen, Di; Wang, Jing; Shao, Lin, E-mail: lshao@tamu.edu

2013-07-15

Silicon carbide composites have been investigated for their use as structural materials for advanced nuclear reactor designs. Although the composites have significantly enhanced mechanical properties and structure integrity, there is little known about the behavior of defects in the presence of a graphite-silicon carbide interface. In this study, molecular dynamics simulations have been used to model defect creation and clustering in a composite containing a SiC/graphite interface. Evolution of displacements as a function of time were studied and compared to bulk SiC. The results show that the first a few SiC atomic layers closest to the interface are easily damaged. However, beyond these first few atomic layers the system appears to be unaffected by the SiC interface.

Simulation study on discrete charge effects of SiNW biosensors according to bound target position using a 3D TCAD simulator.

Science.gov (United States)

Chung, In-Young; Jang, Hyeri; Lee, Jieun; Moon, Hyunggeun; Seo, Sung Min; Kim, Dae Hwan

2012-02-17

We introduce a simulation method for the biosensor environment which treats the semiconductor and the electrolyte region together, using the well-established semiconductor 3D TCAD simulator tool. Using this simulation method, we conduct electrostatic simulations of SiNW biosensors with a more realistic target charge model where the target is described as a charged cube, randomly located across the nanowire surface, and analyze the Coulomb effect on the SiNW FET according to the position and distribution of the target charges. The simulation results show the considerable variation in the SiNW current according to the bound target positions, and also the dependence of conductance modulation on the polarity of target charges. This simulation method and the results can be utilized for analysis of the properties and behavior of the biosensor device, such as the sensing limit or the sensing resolution.

Simulation study on discrete charge effects of SiNW biosensors according to bound target position using a 3D TCAD simulator

International Nuclear Information System (INIS)

Chung, In-Young; Moon, Hyunggeun; Jang, Hyeri; Lee, Jieun; Kim, Dae Hwan; Seo, Sung Min

2012-01-01

We introduce a simulation method for the biosensor environment which treats the semiconductor and the electrolyte region together, using the well-established semiconductor 3D TCAD simulator tool. Using this simulation method, we conduct electrostatic simulations of SiNW biosensors with a more realistic target charge model where the target is described as a charged cube, randomly located across the nanowire surface, and analyze the Coulomb effect on the SiNW FET according to the position and distribution of the target charges. The simulation results show the considerable variation in the SiNW current according to the bound target positions, and also the dependence of conductance modulation on the polarity of target charges. This simulation method and the results can be utilized for analysis of the properties and behavior of the biosensor device, such as the sensing limit or the sensing resolution. (paper)

Simulation of thermal stress and buckling instability in Si/Ge and Ge/Si core/shell nanowires.

Science.gov (United States)

Das, Suvankar; Moitra, Amitava; Bhattacharya, Mishreyee; Dutta, Amlan

2015-01-01

The present study employs the method of atomistic simulation to estimate the thermal stress experienced by Si/Ge and Ge/Si, ultrathin, core/shell nanowires with fixed ends. The underlying technique involves the computation of Young's modulus and the linear coefficient of thermal expansion through separate simulations. These two material parameters are combined to obtain the thermal stress on the nanowires. In addition, the thermally induced stress is perceived in the context of buckling instability. The analysis provides a trade-off between the geometrical and operational parameters of the nanostructures. The proposed methodology can be extended to other materials and structures and helps with the prediction of the conditions under which a nanowire-based device might possibly fail due to elastic instability.

Analysis and design of the SI-simulator software system for the VHTR-SI process by using the object-oriented analysis and object-oriented design methodology

International Nuclear Information System (INIS)

Chang, Jiwoon; Shin, Youngjoon; Kim, Jihwan; Lee, Kiyoung; Lee, Wonjae; Chang, Jonghwa; Youn, Cheung

2008-01-01

The SI-simulator is an application software system that simulates the dynamic behavior of the VHTR-SI process by the use of mathematical models. Object-oriented analysis (OOA) and object-oriented design (OOD) methodologies were employed for the SI simulator system development. OOA is concerned with developing software engineering requirements and specifications that are expressed as a system's object model (which is composed of a population of interacting objects), as opposed to the traditional data or functional views of systems. OOD techniques are useful for the development of large complex systems. Also, OOA/OOD methodology is usually employed to maximize the reusability and extensibility of a software system. In this paper, we present a design feature for the SI simulator software system by the using methodologies of OOA and OOD

Automated numerical simulation of biological pattern formation based on visual feedback simulation framework.

Science.gov (United States)

Sun, Mingzhu; Xu, Hui; Zeng, Xingjuan; Zhao, Xin

2017-01-01

There are various fantastic biological phenomena in biological pattern formation. Mathematical modeling using reaction-diffusion partial differential equation systems is employed to study the mechanism of pattern formation. However, model parameter selection is both difficult and time consuming. In this paper, a visual feedback simulation framework is proposed to calculate the parameters of a mathematical model automatically based on the basic principle of feedback control. In the simulation framework, the simulation results are visualized, and the image features are extracted as the system feedback. Then, the unknown model parameters are obtained by comparing the image features of the simulation image and the target biological pattern. Considering two typical applications, the visual feedback simulation framework is applied to fulfill pattern formation simulations for vascular mesenchymal cells and lung development. In the simulation framework, the spot, stripe, labyrinthine patterns of vascular mesenchymal cells, the normal branching pattern and the branching pattern lacking side branching for lung branching are obtained in a finite number of iterations. The simulation results indicate that it is easy to achieve the simulation targets, especially when the simulation patterns are sensitive to the model parameters. Moreover, this simulation framework can expand to other types of biological pattern formation.

Multinuclear NMR of CaSiO(3) glass: simulation from first-principles.

Science.gov (United States)

Pedone, Alfonso; Charpentier, Thibault; Menziani, Maria Cristina

2010-06-21

An integrated computational method which couples classical molecular dynamics simulations with density functional theory calculations is used to simulate the solid-state NMR spectra of amorphous CaSiO(3). Two CaSiO(3) glass models are obtained by shell-model molecular dynamics simulations, successively relaxed at the GGA-PBE level of theory. The calculation of the NMR parameters (chemical shielding and quadrupolar parameters), which are then used to simulate solid-state 1D and 2D-NMR spectra of silicon-29, oxygen-17 and calcium-43, is achieved by the gauge including projector augmented-wave (GIPAW) and the projector augmented-wave (PAW) methods. It is shown that the limitations due to the finite size of the MD models can be overcome using a Kernel Estimation Density (KDE) approach to simulate the spectra since it better accounts for the disorder effects on the NMR parameter distribution. KDE allows reconstructing a smoothed NMR parameter distribution from the MD/GIPAW data. Simulated NMR spectra calculated with the present approach are found to be in excellent agreement with the experimental data. This further validates the CaSiO(3) structural model obtained by MD simulations allowing the inference of relationships between structural data and NMR response. The methods used to simulate 1D and 2D-NMR spectra from MD GIPAW data have been integrated in a package (called fpNMR) freely available on request.

Investigation of Performance Silicon Heterojunction Solar Cells Using a-Si: H or a-SiC: H at Emitter Layer Through AMPS-1D Simulations

Directory of Open Access Journals (Sweden)

Asmaa BENSMAIN

2014-05-01

Full Text Available We offer a numerical simulation tool, AMPS-1D, which allows to model homo- as well as heterojunction devices. AMPS-1D is the short form of automat for simulation of heterostructures. The program solves the one dimensional semiconductor equations in steady-state. Furthermore, a variety of common characterization techniques have been implemented, current- voltage, external quantum efficiency, conduction and valence band. A user-friendly interface allows to easily perform parameter variations, and to visualize and compare your simulations. In this work, The silicon heterojunction cell performances are investigated by detailed described on external quantum efficiency, and light current-voltage characteristics by recognized simulator AMPS-1D (Analysis of Micro- electronics and Photonic Structures. The objective of this work is to study the correlation between the emitter properties of both heterojunction cells a-Si:H/c-Si and a-SiC:H/c-Si (absorption, defect profiles and energy band offsets and the carrier collection.

Thermal transport in nanocrystalline Si and SiGe by ab initio based Monte Carlo simulation.

Science.gov (United States)

Yang, Lina; Minnich, Austin J

2017-03-14

Nanocrystalline thermoelectric materials based on Si have long been of interest because Si is earth-abundant, inexpensive, and non-toxic. However, a poor understanding of phonon grain boundary scattering and its effect on thermal conductivity has impeded efforts to improve the thermoelectric figure of merit. Here, we report an ab-initio based computational study of thermal transport in nanocrystalline Si-based materials using a variance-reduced Monte Carlo method with the full phonon dispersion and intrinsic lifetimes from first-principles as input. By fitting the transmission profile of grain boundaries, we obtain excellent agreement with experimental thermal conductivity of nanocrystalline Si [Wang et al. Nano Letters 11, 2206 (2011)]. Based on these calculations, we examine phonon transport in nanocrystalline SiGe alloys with ab-initio electron-phonon scattering rates. Our calculations show that low energy phonons still transport substantial amounts of heat in these materials, despite scattering by electron-phonon interactions, due to the high transmission of phonons at grain boundaries, and thus improvements in ZT are still possible by disrupting these modes. This work demonstrates the important insights into phonon transport that can be obtained using ab-initio based Monte Carlo simulations in complex nanostructured materials.

BioNSi: A Discrete Biological Network Simulator Tool.

Science.gov (United States)

Rubinstein, Amir; Bracha, Noga; Rudner, Liat; Zucker, Noga; Sloin, Hadas E; Chor, Benny

2016-08-05

Modeling and simulation of biological networks is an effective and widely used research methodology. The Biological Network Simulator (BioNSi) is a tool for modeling biological networks and simulating their discrete-time dynamics, implemented as a Cytoscape App. BioNSi includes a visual representation of the network that enables researchers to construct, set the parameters, and observe network behavior under various conditions. To construct a network instance in BioNSi, only partial, qualitative biological data suffices. The tool is aimed for use by experimental biologists and requires no prior computational or mathematical expertise. BioNSi is freely available at http://bionsi.wix.com/bionsi , where a complete user guide and a step-by-step manual can also be found.

Monte Carlo Simulation of Electron Transport in 4H- and 6H-SiC

International Nuclear Information System (INIS)

Sun, C. C.; You, A. H.; Wong, E. K.

2010-01-01

The Monte Carlo (MC) simulation of electron transport properties at high electric field region in 4H- and 6H-SiC are presented. This MC model includes two non-parabolic conduction bands. Based on the material parameters, the electron scattering rates included polar optical phonon scattering, optical phonon scattering and acoustic phonon scattering are evaluated. The electron drift velocity, energy and free flight time are simulated as a function of applied electric field at an impurity concentration of 1x10 18 cm 3 in room temperature. The simulated drift velocity with electric field dependencies is in a good agreement with experimental results found in literature. The saturation velocities for both polytypes are close, but the scattering rates are much more pronounced for 6H-SiC. Our simulation model clearly shows complete electron transport properties in 4H- and 6H-SiC.

Adequacy of Si:P chains as Fermi-Hubbard simulators

Science.gov (United States)

Dusko, Amintor; Delgado, Alain; Saraiva, André; Koiller, Belita

2018-01-01

The challenge of simulating many-body models with analogue physical systems requires both experimental precision and very low operational temperatures. Atomically precise placement of dopants in Si permits the construction of nanowires by design. We investigate the suitability of these interacting electron systems as simulators of a fermionic extended Hubbard model on demand. We describe the single-particle wavefunctions as a linear combination of dopant orbitals (LCDO). The electronic states are calculated within configuration interaction (CI). Due to the peculiar oscillatory behavior of each basis orbital, properties of these chains are strongly affected by the interdonor distance R0, in a non-monotonic way. Ground state (T = 0 K) properties such as charge and spin correlations are shown to remain robust under temperatures up to 4 K for specific values of R0. The robustness of the model against disorder is also tested, allowing some fluctuation of the placement site around the target position. We suggest that finite donor chains in Si may serve as an analog simulator for strongly correlated model Hamiltonians. This simulator is, in many ways, complementary to those based on cold atoms in optical lattices—the trade-off between the tunability achievable in the latter and the survival of correlation at higher operation temperatures for the former suggests that both technologies are applicable for different regimes.

Discrete element simulation of internal stress in SiCp/aluminum ...

African Journals Online (AJOL)

2002-07-22

Jul 22, 2002 ... microcosmic two-dimensional numerical model of SiCp / Al matrix composites was established and the simulation of the size ... In the metal matrix composite ... stress and strain distribution, strengthen mechanisms and overall ...

Thermal boundary resistance at Si/Ge interfaces by molecular dynamics simulation

Directory of Open Access Journals (Sweden)

Tianzhuo Zhan

2015-04-01

Full Text Available In this study, we investigated the temperature dependence and size effect of the thermal boundary resistance at Si/Ge interfaces by non-equilibrium molecular dynamics (MD simulations using the direct method with the Stillinger-Weber potential. The simulations were performed at four temperatures for two simulation cells of different sizes. The resulting thermal boundary resistance decreased with increasing temperature. The thermal boundary resistance was smaller for the large cell than for the small cell. Furthermore, the MD-predicted values were lower than the diffusion mismatch model (DMM-predicted values. The phonon density of states (DOS was calculated for all the cases to examine the underlying nature of the temperature dependence and size effect of thermal boundary resistance. We found that the phonon DOS was modified in the interface regions. The phonon DOS better matched between Si and Ge in the interface region than in the bulk region. Furthermore, in interface Si, the population of low-frequency phonons was found to increase with increasing temperature and cell size. We suggest that the increasing population of low-frequency phonons increased the phonon transmission coefficient at the interface, leading to the temperature dependence and size effect on thermal boundary resistance.

Two-dimensional simulations of multi-hollow VHF SiH4/H2 plasma

Directory of Open Access Journals (Sweden)

Li-Wen Su

2018-02-01

Full Text Available A triode multi-hollow VHF SiH4/H2 plasma (60 MHz was examined at a pressure of 20 Pa by two-dimensional simulations using the fluid model. In this study, we considered the effect of the rate constant of reaction, SiH3 + SiH3→SiH2 + SiH4, on the plasma characteristics. A typical VHF plasma of a high-electron density with a low-electron temperature was obtained between two discharge electrodes. Spatial profiles of SiH3+, SiH2+, SiH3- and SiH3 densities were similar to that of the electron density while the electron temperature had a maximum value near the two discharge electrodes. It was found that the SiH3 radical density did not decrease rapidly near the substrate and the electron temperature was lower than 1 eV, suggesting that the triode multi-hollow plasma source can provide high quality amorphous silicon with a high deposition rate.

Disregarded Effect of Biological Fluids in siRNA Delivery: Human Ascites Fluid Severely Restricts Cellular Uptake of Nanoparticles.

Science.gov (United States)

Dakwar, George R; Braeckmans, Kevin; Demeester, Joseph; Ceelen, Wim; De Smedt, Stefaan C; Remaut, Katrien

2015-11-04

Small interfering RNA (siRNA) offers a great potential for the treatment of various diseases and disorders. Nevertheless, inefficient in vivo siRNA delivery hampers its translation into the clinic. While numerous successful in vitro siRNA delivery stories exist in reduced-protein conditions, most studies so far overlook the influence of the biological fluids present in the in vivo environment. In this study, we compared the transfection efficiency of liposomal formulations in Opti-MEM (low protein content, routinely used for in vitro screening) and human undiluted ascites fluid obtained from a peritoneal carcinomatosis patient (high protein content, representing the in vivo situation). In Opti-MEM, all formulations are biologically active. In ascites fluid, however, the biological activity of all lipoplexes is lost except for lipofectamine RNAiMAX. The drop in transfection efficiency was not correlated to the physicochemical properties of the nanoparticles, such as premature siRNA release and aggregation of the nanoparticles in the human ascites fluid. Remarkably, however, all of the formulations except for lipofectamine RNAiMAX lost their ability to be taken up by cells following incubation in ascites fluid. To take into account the possible effects of a protein corona formed around the nanoparticles, we recommend always using undiluted biological fluids for the in vitro optimization of nanosized siRNA formulations next to conventional screening in low-protein content media. This should tighten the gap between in vitro and in vivo performance of nanoparticles and ensure the optimal selection of nanoparticles for further in vivo studies.

Dynamic Biological Functioning Important for Simulating and Stabilizing Ocean Biogeochemistry

Science.gov (United States)

Buchanan, P. J.; Matear, R. J.; Chase, Z.; Phipps, S. J.; Bindoff, N. L.

2018-04-01

The biogeochemistry of the ocean exerts a strong influence on the climate by modulating atmospheric greenhouse gases. In turn, ocean biogeochemistry depends on numerous physical and biological processes that change over space and time. Accurately simulating these processes is fundamental for accurately simulating the ocean's role within the climate. However, our simulation of these processes is often simplistic, despite a growing understanding of underlying biological dynamics. Here we explore how new parameterizations of biological processes affect simulated biogeochemical properties in a global ocean model. We combine 6 different physical realizations with 6 different biogeochemical parameterizations (36 unique ocean states). The biogeochemical parameterizations, all previously published, aim to more accurately represent the response of ocean biology to changing physical conditions. We make three major findings. First, oxygen, carbon, alkalinity, and phosphate fields are more sensitive to changes in the ocean's physical state. Only nitrate is more sensitive to changes in biological processes, and we suggest that assessment protocols for ocean biogeochemical models formally include the marine nitrogen cycle to assess their performance. Second, we show that dynamic variations in the production, remineralization, and stoichiometry of organic matter in response to changing environmental conditions benefit the simulation of ocean biogeochemistry. Third, dynamic biological functioning reduces the sensitivity of biogeochemical properties to physical change. Carbon and nitrogen inventories were 50% and 20% less sensitive to physical changes, respectively, in simulations that incorporated dynamic biological functioning. These results highlight the importance of a dynamic biology for ocean properties and climate.

Simulating characteristics of Si/Ge tandem monolithic solar cell with Si1-xGex buffer layer

Directory of Open Access Journals (Sweden)

Gnilenko A. B.

2015-12-01

Full Text Available In spite of many efforts to propose new semiconductor materials and sophisticated constructions of solar cells, crystalline silicone remains the main photovoltaic material widely used up to now. There are various methods to enhance the efficiency of silicone solar cells. One of them is to combine silicone with an additional semiconductor material with the different bandgap to form a tandem construction. For example, the germanium sub-cell used as the bottom cascade for the silicone sub-cell in the tandem monolithic solar cell makes it possible to utilize the "red" sub-band of solar spectra increasing overall solar cell efficiency. The problem of the 4.2% mismatch in lattice constant between Si and Ge can be resolved in such a case by the use of SiGe buffer layer. In the paper the results of the computer simulation for Si/Ge tandem monolithic solar cell with Si1-xGex buffer layer are presented. In the solar cell under consideration, the step graded Si1-xGex buffer layer is located between the top silicone and the bottom germanium cascades to reduce the threading dislocation density in mismatched materials. The cascades are commutated by the use of the germanium tunnel diode between the bottom sub-cell and the buffer layer. For the solar cell modeling, the physically-based device simulator ATLAS of Silvaco TCAD software is employed to predict the electrical behavior of the semiconductor structure and to provide a deep insight into the internal physical processes. The voltage-current characteristic, photovoltaic parameters and the distribution of basic physical values are obtained for the investigated tandem solar cell. The influence of layer thicknesses on the photovoltaic parameters is studied. The calculated efficiency of the tandem solar cell reaches 13% which is a quarter more than the efficiency of a simple silicone solar cell with the same constructive parameters and under the same illumination conditions.

Self-irradiation damage in 4H-SiC by molecular dynamics simulation

International Nuclear Information System (INIS)

Han Miaomiao; Wang Qingyu; Li Taosheng; Li Zhongyu

2014-01-01

The development of nuclear technology is closely and inseparably related to the improvements of materials irradiation performance. The irradiation damage of nuclear materials is an important issue of characteristics and difficulties. Because of the excellent features, SiC becomes one of the candidate materials for the cladding material and structure material in fast neutron reactor and fusion reactor. As one of the polytypes, 4H-SiC has prospective important applications in a strong irradiation environment. In this work, molecular dynamics (MD) simulation was performed to study the irradiation-induced cascade damage in single-crystalline 4H-SiC to get the microscopic evolution during the irradiation, in the aim of getting access to the detail that we cannot get from experiments. The software LAMMPS was used to simulate the damage formation process and the recovery process. The results showed that the initial project direction, the temperature and PKA energy exerted significant effects on the number and morphology of defects. (authors)

Do SiO 2 and carbon-doped SiO 2 nanoparticles melt? Insights from QM/MD simulations and ramifications regarding carbon nanotube growth

Science.gov (United States)

Page, Alister J.; Chandrakumar, K. R. S.; Irle, Stephan; Morokuma, Keiji

2011-05-01

Quantum chemical molecular dynamics (QM/MD) simulations of pristine and carbon-doped SiO 2 nanoparticles have been performed between 1000 and 3000 K. At temperatures above 1600 K, pristine nanoparticle SiO 2 decomposes rapidly, primarily forming SiO. Similarly, carbon-doped nanoparticle SiO 2 decomposes at temperatures above 2000 K, primarily forming SiO and CO. Analysis of the physical states of these pristine and carbon-doped SiO 2 nanoparticles indicate that they remain in the solid phase throughout decomposition. This process is therefore one of sublimation, as the liquid phase is never entered. Ramifications of these observations with respect to presently debated mechanisms of carbon nanotube growth on SiO 2 nanoparticles will be discussed.

Comparing 2-nt 3' overhangs against blunt-ended siRNAs: a systems biology based study.

Science.gov (United States)

Ghosh, Preetam; Dullea, Robert; Fischer, James E; Turi, Tom G; Sarver, Ronald W; Zhang, Chaoyang; Basu, Kalyan; Das, Sajal K; Poland, Bradley W

2009-07-07

In this study, we formulate a computational reaction model following a chemical kinetic theory approach to predict the binding rate constant for the siRNA-RISC complex formation reaction. The model allowed us to study the potency difference between 2-nt 3' overhangs against blunt-ended siRNA molecules in an RNA interference (RNAi) system. The rate constant predicted by this model was fed into a stochastic simulation of the RNAi system (using the Gillespie stochastic simulator) to study the overall potency effect. We observed that the stochasticity in the transcription/translation machinery has no observable effects in the RNAi pathway. Sustained gene silencing using siRNAs can be achieved only if there is a way to replenish the dsRNA molecules in the cell. Initial findings show about 1.5 times more blunt-ended molecules will be required to keep the mRNA at the same reduced level compared to the 2-nt overhang siRNAs. However, the mRNA levels jump back to saturation after a longer time when blunt-ended siRNAs are used. We found that the siRNA-RISC complex formation reaction rate was 2 times slower when blunt-ended molecules were used pointing to the fact that the presence of the 2-nt overhangs has a greater effect on the reaction in which the bound RISC complex cleaves the mRNA.

Environmental assessment of the south Texas outer continental shelf : biological investigations from 01 January 1961 to 01 December 1975 (NODC Accession 7600741)

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — Biological and chemical data were collected using net, buoy, and bottle casts from the GUS III and LONGHORN in the Gulf of Mexico from 01 January 1961 to 01 December...

Atomic insight into tribochemical wear mechanism of silicon at the Si/SiO{sub 2} interface in aqueous environment: Molecular dynamics simulations using ReaxFF reactive force field

Energy Technology Data Exchange (ETDEWEB)

Wen, Jialin; Ma, Tianbao [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China); Zhang, Weiwei; Psofogiannakis, George; Duin, Adri C.T. van [Department of Mechanical and Nuclear Engineering, Pennsylvania State University, University Park, PA 16802 (United States); Chen, Lei; Qian, Linmao [Tribology Research Institute, Key Laboratory of Advanced Technologies of Materials (Ministry of Education), Southwest Jiaotong University, Chengdu 610031 (China); Hu, Yuanzhong [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China); Lu, Xinchun, E-mail: xclu@tsinghua.edu.cn [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China)

2016-12-30

Highlights: • New ReaxFF reactive force field was applied to simulate the tribochemical wear process at Si/SiO{sub 2} interface. • Wear of silicon atoms is due to the breaking of Si–O–Si bonds and Si–Si–O–Si bond chains on the Si substrate. • Interfacial bridge bonds play an important role during the tribochemical wear process. • Higher pressures applied to the silica phase can cause more Si atoms to be removed by forming more interfacial bridge bonds. • Water plays an opposing role in the wear process because of its both chemical and mechanical effects. - Abstract: In this work, the atomic mechanism of tribochemical wear of silicon at the Si/SiO{sub 2} interface in aqueous environment was investigated using ReaxFF molecular dynamics (MD) simulations. Two types of Si atom removal pathways were detected in the wear process. The first is caused by the destruction of stretched Si–O–Si bonds on the Si substrate surface and is assisted by the attachment of H atoms on the bridging oxygen atoms of the bonds. The other is caused by the rupture of Si–Si bonds in the stretched Si–Si–O–Si bond chains at the interface. Both pathways effectively remove Si atoms from the silicon surface via interfacial Si–O–Si bridge bonds. Our simulations also demonstrate that higher pressures applied to the silica phase can cause more Si atoms to be removed due to the formation of increased numbers of interfacial Si–O–Si bridge bonds. Besides, water plays a dual role in the wear mechanism, by oxidizing the Si substrate surface as well as by preventing the close contact of the surfaces. This work shows that the removal of Si atoms from the substrate is a result of both chemical reaction and mechanical effects and contributes to the understanding of tribochemical wear behavior in the microelectromechanical systems (MEMS) and Si chemical mechanical polishing (CMP) process.

Weapon system simulation in flight (WaSiF)

Science.gov (United States)

Bartoldus, Klaus H.

2005-05-01

The research and technology demonstration program was co-funded by the Ministries of Defence of five European countries under the framework of the "EUropean Cooperation for the Long term in Defence" (EUCLID) MoU to include Germany, Italy, The Netherlands, Portugal and Turkey with considerable financial contribution from the industrial entities. EADS Military Aircraft Munich has led a team of seven industries and research centers, including Aermacchi of Italy, DutchSpace and NLR of The Netherlands, OGMA and INETI of Portugal and Marmara Research Center of Turkey. The purpose of the project was the design, realization and demonstration of an embedded real time simulation system allowing the combat training of operational aircrew in a virtual air defence scenario and threat environment against computer generated forces in the air and on the ground while flying on a real aircraft. The simulated scenario is focused on air-to-air beyond visual range engagements of fighter aircraft. WaSiF represents one of the first demonstrations of an advanced embedded real time training system onboard a fighter/training aircraft. The system is integrated onboard the MB339CX aircraft. The overall flight test activity covered a wide variety of test conditions for a total of 21 test flights; the operational airborne time of the WaSiF amounted to nearly 18 hours. The demonstration and evaluation were quite positive; the five-nation aircrew was very fond of their first encounter with the virtual world in the military flight training. A common view and approach towards Network Centric Warfare is but emerging. WaSiF in a future networked configuration holds lots of promise to serve the needs of Integrated Air Defence: Common training in a virtual environment.

Calorimetric Investigation of Thermal Stability of 304H Cu (Fe-17.7Cr-9.3Ni-2.95Cu-0.91Mn-0.58Nb-0.24Si-0.1C-0.12N-Wt Pct) Austenitic Stainless Steel

Science.gov (United States)

Tripathy, Haraprasanna; Subramanian, Raju; Hajra, Raj Narayan; Rai, Arun Kumar; Rengachari, Mythili; Saibaba, Saroja; Jayakumar, Tammana

2016-12-01

The sequence of phase instabilities that take place in a Fe-17.7Cr-9.3Ni-0.58Nb-2.95Cu-0.12N (wt pct) austenitic stainless steel (304H Cu grade) as a function of temperature has been investigated using dynamic calorimetry. The results obtained from this investigation are supplemented by Thermocalc-based equilibrium and Scheil-Gulliver nonequilibrium solidification simulation. The following phase transformation sequence is found upon slow cooling from liquid: L → L + γ → L + γ + MX → γ + MX + δ → γ +MX + M23C6 → γ + MX + M23C6 + Cu. Under slow cooling, the solidification follows austenite + ferrite (AF) mode, which is in accordance with Thermocalc prediction and Scheil-Gulliver simulation. However, higher cooling rates result in skeletal δ-ferrite formation, due to increased segregation tendency of Nb and Cr to segregate to interdendritic liquid. The solidification mode is found to depend on combined Nb + Cu content. Experimental estimates of enthalpy change associated with melting and secondary phase precipitation are also obtained. In addition a semi-quantitative study on the dissolution kinetics of M23C6 type carbides has also been investigated. The standard solution treatment at 1413 K (1140 °C) is found to be adequate to dissolve both Cu and M23C6 into γ-austenite; but the complete dissolution of MX type carbonitrides occurs near the melting region.

Simulation studies of the n{sup +}n{sup -} Si sensors having p-spray/p-stop implant for the SiD experiment

Energy Technology Data Exchange (ETDEWEB)

Saxena, Pooja; Ranjan, Kirti [Centre for Detector and Related Software Technology, Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India); Bhardwaj, Ashutosh, E-mail: abhardwaj@physics.du.ac.in [Centre for Detector and Related Software Technology, Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India); Shivpuri, R.K.; Bhattacharya, Satyaki [Centre for Detector and Related Software Technology, Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India)

2011-12-01

Silicon Detector (SiD) is one of the proposed detectors for the future International Linear Collider (ILC). In the innermost vertex of the ILC, Si micro-strip sensors will be exposed to the neutron background of around 1-1.6 Multiplication-Sign 10{sup 10} 1 MeV equivalent neutrons cm{sup -2} year{sup -1}. The p{sup +}n{sup -}n{sup +} double-sided Si strip sensors are supposed to be used as position sensitive sensors for SiD. The shortening due to electron accumulation on the n{sup +}n{sup -} side of these sensors leads to uniform spreading of signal over all the n{sup +} strips and thus ensuring good isolation between the n{sup +} strips becomes one of the major issues in these sensors. One of the possible solutions is the use of floating p-type implants introduced between the n{sup +} strips (p-stops) and another alternative is the use of uniform layer of p-type implant on the entire n-side (p-spray). However, pre-breakdown micro-discharge is reported because of the high electric field at the edge of the p-stop/p-spray. An optimization of the implant dose profile of the p-stop and p-spray is required to achieve good electrical isolation while ensuring satisfactory breakdown performance of the Si sensors. Preliminary results of the simulation study performed on the n{sup +}n{sup -} Si sensors having p-stop and p-spray using device simulation program, ATLAS, are presented.

Characterization and simulation of different SiPM structures produced at FBK

International Nuclear Information System (INIS)

Piazza, A.; Boscardin, M.; Dalla Betta, G.-F.; Del Guerra, A.; Melchiorri, M.; Piemonte, C.; Tarolli, A.; Zorzi, N.

2010-01-01

The silicon photomultiplier (SiPM) is one of the most interesting solid-state detectors for very low-level light detection featuring extremely fast timing response. In FBK we manufactured SiPMs with different micro-cell proprieties such as: size, layout and epi-layer thickness. We characterized both statically and dynamically all devices to understand the impact of each parameter on the signal shape and charge. In this paper we report on the impact of the metal layer layout on the signal shape and gain. We will show both experimental results as well as SPICE simulations.

Characterization and simulation of different SiPM structures produced at FBK

Energy Technology Data Exchange (ETDEWEB)

Piazza, A., E-mail: piazza@fbk.e [Fondazione Bruno Kessler (FBK-IRST), Via Sommarive 18, I-38123 Trento (Italy); Boscardin, M. [Fondazione Bruno Kessler (FBK-IRST), Via Sommarive 18, I-38123 Trento (Italy); Dalla Betta, G.-F. [Department of Information Engineering and Computer Science, University of Trento, Via Sommarive 14, I-38123 Povo di Trento (Italy); Del Guerra, A. [Department of Physics, University of Pisa, Largo Bruno Pontecorvo 3, I-56127 Pisa (Italy); Melchiorri, M.; Piemonte, C.; Tarolli, A.; Zorzi, N. [Fondazione Bruno Kessler (FBK-IRST), Via Sommarive 18, I-38123 Trento (Italy)

2010-05-21

The silicon photomultiplier (SiPM) is one of the most interesting solid-state detectors for very low-level light detection featuring extremely fast timing response. In FBK we manufactured SiPMs with different micro-cell proprieties such as: size, layout and epi-layer thickness. We characterized both statically and dynamically all devices to understand the impact of each parameter on the signal shape and charge. In this paper we report on the impact of the metal layer layout on the signal shape and gain. We will show both experimental results as well as SPICE simulations.

Analyzing heavy-ion-induced charge collection in Si devices by three-dimensional simulation

International Nuclear Information System (INIS)

Dodd, P.E.

1994-01-01

Properties of charge collection in Si devices in response to single-ion bombardment have been studied using transient three-dimensional drift-diffusion simulation. In unloaded Si diodes, the funnel effect is particularly strong in lightly-doped materials for high-density strikes such as 100 MeV Fe, and essentially all charge collection is by funnel-assisted drift. This drift collection may occur at time scales as late as several nanoseconds, much later than is traditionally associated with drift. For more heavily-doped materials or lower-density strikes, such as 5-MeV α-particles, drift and diffusion play more equal roles. In epitaxial structures the funnel is truncated by the heavily-doped substrate, collapses quickly, and a great deal of charge is collected at late times by diffusion. Charge collection in Si circuitry is influenced by the circuit external to the struck device. Loading effects on charge collection were studied using passive external circuit elements as well as by mixed-mode simulation, which allows modeling of active external circuitry. Simulations indicate that the funnel can be significantly affected by the inclusion of passive loads, while active loads may prevent any direct charge collection by funneling. Finally, the use of three-dimensional device simulators is presented as a method of analyzing results obtained from focused ion microbeam experiments

A simulation study of 6H-SiC Schottky barrier source/drain MOSFET

International Nuclear Information System (INIS)

Wang Yuan; Zhang Yimen; Zhang Yuming; Tang Xiaoyan

2003-01-01

A novel SiC metal-oxide-semiconductor field-effect transistor (SiC SBSD-MOSFET) with Schottky barrier contacts for source and drain is presented in this paper. This kind of device gives a fabrication advantage of avoiding the steps of ion implantation and annealing at high temperatures of the conventional SiC MOSFET. Also it has no problems of crystal damage caused by ion implantation and low activation rate of implanted atoms. The operational mechanism of this device is analyzed and its characteristics are comparable to the conventional SiC MOSFET from the simulation with MEDICI. The effects of different metal workfunctions, oxide thickness, and gate length on the device performance are discussed

Simulation of Degraded Properties of 2D plain Woven C/SiC Composites under Preloading Oxidation Atmosphere

Science.gov (United States)

Chen, Xihui; Sun, Zhigang; Sun, Jianfen; Song, Yingdong

2017-12-01

In this paper, a numerical model which incorporates the oxidation damage model and the finite element model of 2D plain woven composites is presented for simulation of the oxidation behaviors of 2D plain woven C/SiC composite under preloading oxidation atmosphere. The equal proportional reduction method is firstly proposed to calculate the residual moduli and strength of unidirectional C/SiC composite. The multi-scale method is developed to simulate the residual elastic moduli and strength of 2D plain woven C/SiC composite. The multi-scale method is able to accurately predict the residual elastic modulus and strength of the composite. Besides, the simulated residual elastic moduli and strength of 2D plain woven C/SiC composites under preloading oxidation atmosphere show good agreements with experimental results. Furthermore, the preload, oxidation time, temperature and fiber volume fractions of the composite are investigated to show their influences upon the residual elastic modulus and strength of 2D plain woven C/SiC composites.

Equiaxed and columnar dendrite growth simulation in Al-7Si- Mg ternary alloys using cellular automaton method

International Nuclear Information System (INIS)

Chen, Rui; Xu, Qingyan; Liu, Baicheng

2015-01-01

In this paper, a modified cellular automaton (MCA) model allowing for the prediction of dendrite growth of Al-Si-Mg ternary alloys in two and three dimensions is presented. The growth kinetic of S/L interface is calculated based on the solute equilibrium approach. In order to describe the dendrite growth with arbitrarily crystallographic orientations, this model introduces a modified decentered octahedron algorithm for neighborhood tracking to eliminate the effect of mesh dependency on dendrite growth. The thermody namic and kinetic data needed for dendrite growth is obtained through coupling with Pandat software package in combination with thermodynamic/kinetic/equilibrium phase diagram calculation databases. The effect of interactions between various alloying elements on solute diffusion coefficient is considered in the model. This model has first been used to simulate Al-7Si (weight percent) binary dendrite growth followed by a validation using theoretical predictions. For ternary alloy, Al-7Si-0.5Mg dendrite simulation has been carried out and the effects of solute interactions on diffusion matrix as well as the differences of Si and Mg in solute distribution have been analyzed. For actual application, this model has been applied to simulate the equiaxed dendrite growth with various crystallographic orientations of Al-7Si-0.36Mg ternary alloy, and the predicted secondary dendrite arm spacing (SDAS) shows a reasonable agreement with the experimental ones. Furthermore, the columnar dendrite growth in directional solidification has also been simulated and the predicted primary dendrite arm spacing (PDAS) is in good agreement with experiments. The simulated results effectively demonstrate the abilities of the model in prediction of dendritic microstructure of Al-Si-Mg ternary alloy. (paper)

Equiaxed and columnar dendrite growth simulation in Al-7Si- Mg ternary alloys using cellular automaton method

Science.gov (United States)

Chen, Rui; Xu, Qingyan; Liu, Baicheng

2015-06-01

In this paper, a modified cellular automaton (MCA) model allowing for the prediction of dendrite growth of Al-Si-Mg ternary alloys in two and three dimensions is presented. The growth kinetic of S/L interface is calculated based on the solute equilibrium approach. In order to describe the dendrite growth with arbitrarily crystallographic orientations, this model introduces a modified decentered octahedron algorithm for neighborhood tracking to eliminate the effect of mesh dependency on dendrite growth. The thermody namic and kinetic data needed for dendrite growth is obtained through coupling with Pandat software package in combination with thermodynamic/kinetic/equilibrium phase diagram calculation databases. The effect of interactions between various alloying elements on solute diffusion coefficient is considered in the model. This model has first been used to simulate Al-7Si (weight percent) binary dendrite growth followed by a validation using theoretical predictions. For ternary alloy, Al-7Si-0.5Mg dendrite simulation has been carried out and the effects of solute interactions on diffusion matrix as well as the differences of Si and Mg in solute distribution have been analyzed. For actual application, this model has been applied to simulate the equiaxed dendrite growth with various crystallographic orientations of Al-7Si-0.36Mg ternary alloy, and the predicted secondary dendrite arm spacing (SDAS) shows a reasonable agreement with the experimental ones. Furthermore, the columnar dendrite growth in directional solidification has also been simulated and the predicted primary dendrite arm spacing (PDAS) is in good agreement with experiments. The simulated results effectively demonstrate the abilities of the model in prediction of dendritic microstructure of Al-Si-Mg ternary alloy.

Safety and efficacy assessment of standardized herbal formula PM012

Science.gov (United States)

2012-01-01

Background This study was conducted to evaluate the efficacy of the herbal formula PM012 on an Alzheimer's disease model, human presenilin 2 mutant transgenic mice (hPS2m), and also to evaluate the toxicity of PM012 in Sprague-Dawely rats after 4 or 26 weeks treatment with repeated oral administration. Methods Spatial learning and memory capacities of hPS2m transgenic mice were evaluated using the Morris Water Maze. Simultaneously, PM012 was repeatedly administered orally to male and female SD rats (15/sex/group) at doses of 0 (vehicle control), 500, 1,000 and 2,000 mg/kg/day for 4 or 26 weeks. To evaluate the recovery potential, 5 animals of each sex were assigned to vehicle control and 2,000 mg/kg/day groups during the 4-week recovery period. Results The results showed that PM012-treated hPS2m transgenic mice showed significantly reduced escape latency when compared with the hPS2m transgenic mice. The repeated oral administration of PM012 over 26 weeks in male and female rats induced an increase and increasing trend in thymus weight in the female treatment groups (main and recovery groups), but the change was judged to be toxicologically insignificant. In addition, the oral administration of the herbal medicine PM012 did not cause adverse effects as assessed by clinical signs, mortality, body weight, food and water consumption, ophthalmology, urinalysis, hematology, serum biochemistry, blood clotting time, organ weights and histopathology. The No Observed Adverse Effects Levels of PM012 was determined to be 2,000 mg/kg/day for both sexes, and the target organ was not identified. Conclusion These results suggest that PM012 has potential for use in the treatment of the Alzheimer's disease without serious adverse effects. PMID:22458507

Experimental and simulation studies of neutron-induced single-event burnout in SiC power diodes

Science.gov (United States)

Shoji, Tomoyuki; Nishida, Shuichi; Hamada, Kimimori; Tadano, Hiroshi

2014-01-01

Neutron-induced single-event burnouts (SEBs) of silicon carbide (SiC) power diodes have been investigated by white neutron irradiation experiments and transient device simulations. It was confirmed that a rapid increase in lattice temperature leads to formation of crown-shaped aluminum and cracks inside the device owing to expansion stress when the maximum lattice temperature reaches the sublimation temperature. SEB device simulation indicated that the peak lattice temperature is located in the vicinity of the n-/n+ interface and anode contact, and that the positions correspond to a hammock-like electric field distribution caused by the space charge effect. Moreover, the locations of the simulated peak lattice temperature agree closely with the positions of the observed destruction traces. Furthermore, it was theoretically demonstrated that the period of temperature increase of a SiC power device is two orders of magnitude less than that of a Si power device, using a thermal diffusion equation.

A Dynamic Simulation Program for a Hydriodic Acid Concentration and Decomposition Process in the VHTR-SI Process

International Nuclear Information System (INIS)

Chang, Ji Woon; Shin, Young Joon; Lee, Tae Hoon; Lee, Ki Young; Kim, Yong Wan; Chang, Jong Hwa; Youn, Cheung

2011-01-01

The Sulfur-Iodine (SI) cycle which can produce hydrogen by using nuclear heat consists of a Bunsen reaction (Section 1), a sulfur acid concentration and decomposition (Section 2), and a hydriodic acid concentration and decomposition (Section 3). The heat required in the SI process can be supplied through an intermediate heat exchanger (IHX) by a Very High Temperature Gas Cooled Reactor (VHTR). The Korea Atomic Energy Research Institute-Dynamic Simulation Code (KAERI-DySCo) based on the Visual C++ is an integration application software that simulates the dynamic behavior of the SI process. KAERI-DySCo was prepared to solve dynamic problem of the seven chemical reactors which consist of Sections 2 and 3. Section 3 is the key part of the SI process, because the strong non-ideality and the partial immiscibility of the binary HI.H 2 O and the ternary HI.I 2 .H 2 O (HIX solution) mixture make it difficult to model and simulate the dynamic behavior of the system. Therefore, it is necessary to compose separately a dynamic simulation program for Section 3 in KAERI-DySCo optimization. In this paper, a simulation program to analyze the dynamic behavior of Section 3 is introduced using the prepared KAERI-DySCo, and results of dynamic simulation are represented by running the program

WE-DE-202-01: Connecting Nanoscale Physics to Initial DNA Damage Through Track Structure Simulations

Energy Technology Data Exchange (ETDEWEB)

Schuemann, J. [Massachusetts General Hospital (United States)

2016-06-15

Radiation therapy for the treatment of cancer has been established as a highly precise and effective way to eradicate a localized region of diseased tissue. To achieve further significant gains in the therapeutic ratio, we need to move towards biologically optimized treatment planning. To achieve this goal, we need to understand how the radiation-type dependent patterns of induced energy depositions within the cell (physics) connect via molecular, cellular and tissue reactions to treatment outcome such as tumor control and undesirable effects on normal tissue. Several computational biology approaches have been developed connecting physics to biology. Monte Carlo simulations are the most accurate method to calculate physical dose distributions at the nanometer scale, however simulations at the DNA scale are slow and repair processes are generally not simulated. Alternative models that rely on the random formation of individual DNA lesions within one or two turns of the DNA have been shown to reproduce the clusters of DNA lesions, including single strand breaks (SSBs), double strand breaks (DSBs) without the need for detailed track structure simulations. Efficient computational simulations of initial DNA damage induction facilitate computational modeling of DNA repair and other molecular and cellular processes. Mechanistic, multiscale models provide a useful conceptual framework to test biological hypotheses and help connect fundamental information about track structure and dosimetry at the sub-cellular level to dose-response effects on larger scales. In this symposium we will learn about the current state of the art of computational approaches estimating radiation damage at the cellular and sub-cellular scale. How can understanding the physics interactions at the DNA level be used to predict biological outcome? We will discuss if and how such calculations are relevant to advance our understanding of radiation damage and its repair, or, if the underlying biological

WE-DE-202-01: Connecting Nanoscale Physics to Initial DNA Damage Through Track Structure Simulations

International Nuclear Information System (INIS)

Schuemann, J.

2016-01-01

Radiation therapy for the treatment of cancer has been established as a highly precise and effective way to eradicate a localized region of diseased tissue. To achieve further significant gains in the therapeutic ratio, we need to move towards biologically optimized treatment planning. To achieve this goal, we need to understand how the radiation-type dependent patterns of induced energy depositions within the cell (physics) connect via molecular, cellular and tissue reactions to treatment outcome such as tumor control and undesirable effects on normal tissue. Several computational biology approaches have been developed connecting physics to biology. Monte Carlo simulations are the most accurate method to calculate physical dose distributions at the nanometer scale, however simulations at the DNA scale are slow and repair processes are generally not simulated. Alternative models that rely on the random formation of individual DNA lesions within one or two turns of the DNA have been shown to reproduce the clusters of DNA lesions, including single strand breaks (SSBs), double strand breaks (DSBs) without the need for detailed track structure simulations. Efficient computational simulations of initial DNA damage induction facilitate computational modeling of DNA repair and other molecular and cellular processes. Mechanistic, multiscale models provide a useful conceptual framework to test biological hypotheses and help connect fundamental information about track structure and dosimetry at the sub-cellular level to dose-response effects on larger scales. In this symposium we will learn about the current state of the art of computational approaches estimating radiation damage at the cellular and sub-cellular scale. How can understanding the physics interactions at the DNA level be used to predict biological outcome? We will discuss if and how such calculations are relevant to advance our understanding of radiation damage and its repair, or, if the underlying biological

Searching for stable Si(n)C(n) clusters: combination of stochastic potential surface search and pseudopotential plane-wave Car-Parinello simulated annealing simulations.

Science.gov (United States)

Duan, Xiaofeng F; Burggraf, Larry W; Huang, Lingyu

2013-07-22

To find low energy Si(n)C(n) structures out of hundreds to thousands of isomers we have developed a general method to search for stable isomeric structures that combines Stochastic Potential Surface Search and Pseudopotential Plane-Wave Density Functional Theory Car-Parinello Molecular Dynamics simulated annealing (PSPW-CPMD-SA). We enhanced the Sunders stochastic search method to generate random cluster structures used as seed structures for PSPW-CPMD-SA simulations. This method ensures that each SA simulation samples a different potential surface region to find the regional minimum structure. By iterations of this automated, parallel process on a high performance computer we located hundreds to more than a thousand stable isomers for each Si(n)C(n) cluster. Among these, five to 10 of the lowest energy isomers were further optimized using B3LYP/cc-pVTZ method. We applied this method to Si(n)C(n) (n = 4-12) clusters and found the lowest energy structures, most not previously reported. By analyzing the bonding patterns of low energy structures of each Si(n)C(n) cluster, we observed that carbon segregations tend to form condensed conjugated rings while Si connects to unsaturated bonds at the periphery of the carbon segregation as single atoms or clusters when n is small and when n is large a silicon network spans over the carbon segregation region.

SiC/SiC Leading Edge Turbine Airfoil Tested Under Simulated Gas Turbine Conditions

Science.gov (United States)

Robinson, R. Craig; Hatton, Kenneth S.

1999-01-01

Silicon-based ceramics have been proposed as component materials for use in gas turbine engine hot-sections. A high pressure burner rig was used to expose both a baseline metal airfoil and ceramic matrix composite leading edge airfoil to typical gas turbine conditions to comparatively evaluate the material response at high temperatures. To eliminate many of the concerns related to an entirely ceramic, rotating airfoil, this study has focused on equipping a stationary metal airfoil with a ceramic leading edge insert to demonstrate the feasibility and benefits of such a configuration. Here, the idea was to allow the SiC/SiC composite to be integrated as the airfoil's leading edge, operating in a "free-floating" or unrestrained manner. and provide temperature relief to the metal blade underneath. The test included cycling the airfoils between simulated idle, lift, and cruise flight conditions. In addition, the airfoils were air-cooled, uniquely instrumented, and exposed to the same internal and external conditions, which included gas temperatures in excess of 1370 C (2500 F). Results show the leading edge insert remained structurally intact after 200 simulated flight cycles with only a slightly oxidized surface. The instrumentation clearly suggested a significant reduction (approximately 600 F) in internal metal temperatures as a result of the ceramic leading edge. The object of this testing was to validate the design and analysis done by Materials Research and Design of Rosemont, PA and to determine the feasibility of this design for the intended application.

Design of High Performance Si/SiGe Heterojunction Tunneling FETs with a T-Shaped Gate

Science.gov (United States)

Li, Wei; Liu, Hongxia; Wang, Shulong; Chen, Shupeng; Yang, Zhaonian

2017-03-01

In this paper, a new Si/SiGe heterojunction tunneling field-effect transistor with a T-shaped gate (HTG-TFET) is proposed and investigated by Silvaco-Atlas simulation. The two source regions of the HTG-TFET are placed on both sides of the gate to increase the tunneling area. The T-shaped gate is designed to overlap with N+ pockets in both the lateral and vertical directions, which increases the electric field and tunneling rate at the top of tunneling junctions. Moreover, using SiGe in the pocket regions leads to the smaller tunneling distance. Therefore, the proposed HTG-TFET can obtain the higher on-state current. The simulation results show that on-state current of HTG-TFET is increased by one order of magnitude compared with that of the silicon-based counterparts. The average subthreshold swing (SS) of HTG-TFET is 44.64 mV/dec when V g is varied from 0.1 to 0.4 V, and the point SS is 36.59 mV/dec at V g = 0.2 V. Besides, this design cannot bring the sever Miller capacitance for the TFET circuit design. By using the T-shaped gate and SiGe pocket regions, the overall performance of the TFET is optimized.

Design of High Performance Si/SiGe Heterojunction Tunneling FETs with a T-Shaped Gate.

Science.gov (United States)

Li, Wei; Liu, Hongxia; Wang, Shulong; Chen, Shupeng; Yang, Zhaonian

2017-12-01

In this paper, a new Si/SiGe heterojunction tunneling field-effect transistor with a T-shaped gate (HTG-TFET) is proposed and investigated by Silvaco-Atlas simulation. The two source regions of the HTG-TFET are placed on both sides of the gate to increase the tunneling area. The T-shaped gate is designed to overlap with N + pockets in both the lateral and vertical directions, which increases the electric field and tunneling rate at the top of tunneling junctions. Moreover, using SiGe in the pocket regions leads to the smaller tunneling distance. Therefore, the proposed HTG-TFET can obtain the higher on-state current. The simulation results show that on-state current of HTG-TFET is increased by one order of magnitude compared with that of the silicon-based counterparts. The average subthreshold swing (SS) of HTG-TFET is 44.64 mV/dec when V g is varied from 0.1 to 0.4 V, and the point SS is 36.59 mV/dec at V g  = 0.2 V. Besides, this design cannot bring the sever Miller capacitance for the TFET circuit design. By using the T-shaped gate and SiGe pocket regions, the overall performance of the TFET is optimized.

Quantum mechanical simulation methods for studying biological systems

International Nuclear Information System (INIS)

Bicout, D.; Field, M.

1996-01-01

Most known biological mechanisms can be explained using fundamental laws of physics and chemistry and a full understanding of biological processes requires a multidisciplinary approach in which all the tools of biology, chemistry and physics are employed. An area of research becoming increasingly important is the theoretical study of biological macromolecules where numerical experimentation plays a double role of establishing a link between theoretical models and predictions and allowing a quantitative comparison between experiments and models. This workshop brought researchers working on different aspects of the development and application of quantum mechanical simulation together, assessed the state-of-the-art in the field and highlighted directions for future research. Fourteen lectures (theoretical courses and specialized seminars) deal with following themes: 1) quantum mechanical calculations of large systems, 2) ab initio molecular dynamics where the calculation of the wavefunction and hence the energy and forces on the atoms for a system at a single nuclear configuration are combined with classical molecular dynamics algorithms in order to perform simulations which use a quantum mechanical potential energy surface, 3) quantum dynamical simulations, electron and proton transfer processes in proteins and in solutions and finally, 4) free seminars that helped to enlarge the scope of the workshop. (N.T.)

NCBI nr-aa BLAST: CBRC-XTRO-01-0560 [SEVENS

Lifescience Database Archive (English)

Full Text Available CBRC-XTRO-01-0560 ref|YP_995556.1| binding-protein-dependent transport systems inne...r membrane component [Verminephrobacter eiseniae EF01-2] gb|ABM56538.1| binding-protein-dependent transport systems

NCBI nr-aa BLAST: CBRC-CPOR-01-1994 [SEVENS

Lifescience Database Archive (English)

Full Text Available CBRC-CPOR-01-1994 ref|YP_995620.1| binding-protein-dependent transport systems inne...r membrane component [Verminephrobacter eiseniae EF01-2] gb|ABM56602.1| binding-protein-dependent transport systems

NCBI nr-aa BLAST: CBRC-XTRO-01-0287 [SEVENS

Lifescience Database Archive (English)

Full Text Available CBRC-XTRO-01-0287 ref|YP_997917.1| binding-protein-dependent transport systems inne...r membrane component [Verminephrobacter eiseniae EF01-2] gb|ABM58899.1| binding-protein-dependent transport systems

NCBI nr-aa BLAST: CBRC-XTRO-01-0887 [SEVENS

Lifescience Database Archive (English)

Full Text Available CBRC-XTRO-01-0887 ref|YP_995619.1| binding-protein-dependent transport systems inne...r membrane component [Verminephrobacter eiseniae EF01-2] gb|ABM56601.1| binding-protein-dependent transport systems

NCBI nr-aa BLAST: CBRC-XTRO-01-0534 [SEVENS

Lifescience Database Archive (English)

Full Text Available CBRC-XTRO-01-0534 ref|YP_994945.1| binding-protein-dependent transport systems inne...r membrane component [Verminephrobacter eiseniae EF01-2] gb|ABM55927.1| binding-protein-dependent transport systems

New evaluation method of crack growth in SiC/SiC composites using interface elements

International Nuclear Information System (INIS)

Serizawa, H.; Ando, M.; Lewinsohn, C.A.; Murakawa, H.

2000-01-01

Crack propagation behavior in SiC/SiC composites was analyzed using a new computer simulation method that included time-dependent interface elements. The simulation method was used to describe the time-dependent crack growth in SiC/SiC composites under four-point bending of single-edge-notched beam bend-bars. Two methods were used to simulate time-dependent crack growth in SiC/SiC composites due to fiber creep. In one method, the creep property was introduced into the interface elements by the general method of finite element method (FEM) analysis. In the second method, a new technique making the best use of the potential function was used to represent crack closure tractions due to creeping fibers. The stage-II slow crack growth of a general creep deformation was simulated by both methods. Additionally, stage-III crack growth and the transition from stage-II to stage-III could be simulated by the new method. The new method has the potential to completely simulate time-dependent crack growth behavior in SiC/SiC composites due to fiber creep

46 CFR 161.012-1 - Scope.

Science.gov (United States)

2010-10-01

..., DEPARTMENT OF HOMELAND SECURITY (CONTINUED) EQUIPMENT, CONSTRUCTION, AND MATERIALS: SPECIFICATIONS AND APPROVAL ELECTRICAL EQUIPMENT Personal Flotation Device Lights § 161.012-1 Scope. (a) This subpart... approving personal flotation device lights fitted on Coast Guard approved life preservers, bouyant vests...

Atomistic simulation of the thermal conductivity in amorphous SiO2 matrix/Ge nanocrystal composites

Science.gov (United States)

Kuryliuk, Vasyl V.; Korotchenkov, Oleg A.

2017-04-01

We use nonequilibrium molecular dynamics computer simulations with the Tersoff potential aiming to provide a comprehensive picture of the thermal conductivity of amorphous SiO2 (a-SiO2) matrix with embedded Ge nanocrystals (nc-Ge). The modelling predicts the a-SiO2 matrix thermal conductivity in a temperature range of 50 fair agreement with experiment at around room temperature. It is worth noticing that the predicted room-temperature thermal conductivity in a-SiO2 is in very good agreement with the experimental result, which is in marked contrast with the thermal conductivity calculated employing the widely used van Beest-Kramer-van Santen (BKS) potential. We show that the thermal conductivity of composite nc-Ge/a-SiO2 systems decreases steadily with increasing the volume fraction of Ge inclusions, indicative of enhanced interface scattering of phonons imposed by embedded Ge nanocrystals. We also observe that increasing the volume fractions above a certain threshold value results in a progressively increased thermal conductivity of the nanocomposite, which can be explained by increasing volume fraction of a better thermally conducting Ge. Finally, non-equilibrium molecular dynamics simulations with the Tersoff potential are promising for computing the thermal conductivity of nanocomposites based on amorphous SiO2 and can be readily scaled to more complex composite structures with embedded nanoparticles, which thus help design nanocomposites with desired thermal properties.

Numerical simulation and validation of SI-CAI hybrid combustion in a CAI/HCCI gasoline engine

Science.gov (United States)

Wang, Xinyan; Xie, Hui; Xie, Liyan; Zhang, Lianfang; Li, Le; Chen, Tao; Zhao, Hua

2013-02-01

SI-CAI hybrid combustion, also known as spark-assisted compression ignition (SACI), is a promising concept to extend the operating range of CAI (Controlled Auto-Ignition) and achieve the smooth transition between spark ignition (SI) and CAI in the gasoline engine. In this study, a SI-CAI hybrid combustion model (HCM) has been constructed on the basis of the 3-Zones Extended Coherent Flame Model (ECFM3Z). An ignition model is included to initiate the ECFM3Z calculation and induce the flame propagation. In order to precisely depict the subsequent auto-ignition process of the unburned fuel and air mixture independently after the initiation of flame propagation, the tabulated chemistry concept is adopted to describe the auto-ignition chemistry. The methodology for extracting tabulated parameters from the chemical kinetics calculations is developed so that both cool flame reactions and main auto-ignition combustion can be well captured under a wider range of thermodynamic conditions. The SI-CAI hybrid combustion model (HCM) is then applied in the three-dimensional computational fluid dynamics (3-D CFD) engine simulation. The simulation results are compared with the experimental data obtained from a single cylinder VVA engine. The detailed analysis of the simulations demonstrates that the SI-CAI hybrid combustion process is characterised with the early flame propagation and subsequent multi-site auto-ignition around the main flame front, which is consistent with the optical results reported by other researchers. Besides, the systematic study of the in-cylinder condition reveals the influence mechanism of the early flame propagation on the subsequent auto-ignition.

46 CFR 161.012-3 - Definitions.

Science.gov (United States)

2010-10-01

... GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) EQUIPMENT, CONSTRUCTION, AND MATERIALS: SPECIFICATIONS AND APPROVAL ELECTRICAL EQUIPMENT Personal Flotation Device Lights § 161.012-3 Definitions. (a) As used in this subpart, PFD means Coast Guard approved personal flotation device. (b) For the purpose of...

Si-coated single-walled carbon nanotubes under axial loads: An atomistic simulation study

International Nuclear Information System (INIS)

Song Haiyang; Zha Xinwei

2007-01-01

The mechanical properties of the Si-coated imperfect (5, 5) single-walled carbon nanotube (SWCNT), the imperfect (5, 5) SWCNT and several perfect armchair SWCNTs under axial loads were investigated using molecular dynamics simulation. The interactions between atoms were modeled using the empirical Tersoff potential and the Tersoff-Brenner potential coupled with the Lennard-Jones potential. We get Young's modulus of the defective (5, 5) nanotube with and without the Si coating under axial tension 1107.92 and 1076.02 GPa, respectively. The results also show that the structure failure of the Si-coated imperfect (5, 5) SWCNT under axial compression occurs at a slightly higher strain than for the perfect (5, 5) SWCNT. Therefore, we can confirm the protective effect of Si as a coating material for defective SWCNTs. We also obtain the critical buckling strains of perfect SWCNTs

A program code generator for multiphysics biological simulation using markup languages.

Science.gov (United States)

Amano, Akira; Kawabata, Masanari; Yamashita, Yoshiharu; Rusty Punzalan, Florencio; Shimayoshi, Takao; Kuwabara, Hiroaki; Kunieda, Yoshitoshi

2012-01-01

To cope with the complexity of the biological function simulation models, model representation with description language is becoming popular. However, simulation software itself becomes complex in these environment, thus, it is difficult to modify the simulation conditions, target computation resources or calculation methods. In the complex biological function simulation software, there are 1) model equations, 2) boundary conditions and 3) calculation schemes. Use of description model file is useful for first point and partly second point, however, third point is difficult to handle for various calculation schemes which is required for simulation models constructed from two or more elementary models. We introduce a simulation software generation system which use description language based description of coupling calculation scheme together with cell model description file. By using this software, we can easily generate biological simulation code with variety of coupling calculation schemes. To show the efficiency of our system, example of coupling calculation scheme with three elementary models are shown.

National Land Cover Database 2001 (NLCD01) Imperviousness Layer Tile 2, Northeast United States: IMPV01_2

Science.gov (United States)

LaMotte, Andrew E.; Wieczorek, Michael

2010-01-01

This 30-meter resolution data set represents the imperviousness layer for the conterminous United States for the 2001 time period. The data have been arranged into four tiles to facilitate timely display and manipulation within a Geographic Information System, browse graphic: nlcd01-partition. The National Land Cover Data Set for 2001 was produced through a cooperative project conducted by the Multi-Resolution Land Characteristics (MRLC) Consortium. The MRLC Consortium is a partnership of Federal agencies (www.mrlc.gov), consisting of the U.S. Geological Survey (USGS), the National Oceanic and Atmospheric Administration (NOAA), the U.S. Environmental Protection Agency (USEPA), the U.S. Department of Agriculture (USDA), the U.S. Forest Service (USFS), the National Park Service (NPS), the U.S. Fish and Wildlife Service (USFWS), the Bureau of Land Management (BLM), and the USDA Natural Resources Conservation Service (NRCS). One of the primary goals of the project is to generate a current, consistent, seamless, and accurate National Land Cover Database (NLCD) circa 2001 for the United States at medium spatial resolution. For a detailed definition and discussion on MRLC and the NLCD 2001 products, refer to Homer and others (2004) and http://www.mrlc.gov/mrlc2k.asp.. The NLCD 2001 was created by partitioning the United States into mapping-zones. A total of 68 mapping-zones browse graphic: nlcd01-mappingzones.jpg were delineated within the conterminous United States based on ecoregion and geographical characteristics, edge-matching features, and the size requirement of Landsat mosaics. Mapping-zones encompass the whole or parts of several states. Questions about the NLCD mapping zones can be directed to the NLCD 2001 Land Cover Mapping Team at the USGS/EROS, Sioux Falls, SD (605) 594-6151 or mrlc@usgs.gov.

Gene : CBRC-CREM-01-1327 [SEVENS

Lifescience Database Archive (English)

Full Text Available CBRC-CREM-01-1327 Novel UN C UNKNOWN BCH2_RHOCA 0.12 27% ref|YP_705999.1| possible ABC antibiotics... transporter [Rhodococcus sp. RHA1] gb|ABG97841.1| possible ABC antibiotics transporter [Rhod

Multiaxial Channeling Study of Disorder Accumulation and Recovery in Gold-Irradiated 6H-SiC

International Nuclear Information System (INIS)

Jiang, Weilin; Weber, William J.

2001-01-01

Single crystal 6H-SiC has been irradiated 60 degrees off normal with 2 MeV Au ions at 300 K to fluences of 0.029, 0.058 and 0.12 ions/nm, which produced relatively low damage levels. The disorder profiles as a function of ion fluence on both the Si and C sublattices have been determined simultaneously in situ using Rutherford backscattering and nuclear reaction analysis with 0.94 MeV D+ ions in channeling geometry along the , and axes. Along the axis at these low doses, similar levels of Si and C disorder are observed, and the damage accumulation is linear with dose. However, along and , the disorder accumulation is larger and increases sublinearly with dose. Furthermore, a higher level of C disorder than Si disorder is observed along the and axes, which is consistent with a smaller threshold displacement energy on the C sublattice in SiC. The mean lattice displacement, perpendicular to each corresponding axis, ranges from 0.014 to 0.037 nm for this range of ion fluences. A steady accumulation of small displacements due to lattice stress is observed along the axis, and a detectable reduction of the lattice stress perpendicular to the axis occurs at 0.12 Au/nm. There is only a moderate recovery of disorder, produced at and below 0.058 Au/nm, during thermal annealing at 570 K; more significant recovery is observed for 0.12 Au/nm along both the and axes

Improvement of photoluminescence properties and thermal stability of Y{sub 2.9}Ce{sub 0.1}Al{sub 5−x}Si{sub x}O{sub 12} phosphors with Si{sub 3}N{sub 4} addition

Energy Technology Data Exchange (ETDEWEB)

Zhang, Fangfang [College of Electronic Information and Engineering, Hangzhou Dianzi University, Hangzhou 310018 (China); Song, Kaixin, E-mail: kxsong@hdu.edu.cn [College of Electronic Information and Engineering, Hangzhou Dianzi University, Hangzhou 310018 (China); Jiang, Jun [Ningbo Institute of Materials Technologies and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Wu, Song; Zheng, Peng [College of Electronic Information and Engineering, Hangzhou Dianzi University, Hangzhou 310018 (China); Huang, Qingming [Instrument Analysis and Testing Center, Fuzhou University, Fuzhou 350002 (China); Xu, Junming; Qin, Huibin [College of Electronic Information and Engineering, Hangzhou Dianzi University, Hangzhou 310018 (China)

2014-12-05

Highlights: • Y{sub 2.9}Ce{sub 0.1}Al{sub 5−x}Si{sub x}O{sub 12} phosphors were prepared by solid-state reaction in reduced air ambience. • Si{sup 4+} could be incorporated into the host lattice of Y{sub 3}Al{sub 5}O{sub 12} through partial occupation of the Al{sup 3+} sites. • Si{sub 3}N{sub 4} addition can improve photoluminescence efficiency and thermal stability of Y{sub 3}Al{sub 5}O{sub 12}:Ce. - Abstract: A series of Si{sub 3}N{sub 4} doping Y{sub 2.9}Ce{sub 0.1}Al{sub 5−x}Si{sub x}O{sub 12−3x/2}N{sub 4x/3} phosphors were prepared by solid-state reaction in 95%N{sub 2}–5%H{sub 2} reduced air ambience. The XRD characteristics plus Rietveld refinement results shows that the as-sintered powders are unique crystal phase with the same crystal structure of Y{sub 3}Al{sub 5}O{sub 12} (PDF No. 79-1891). The N element was not detected by the analysis of X-ray photoelectron spectroscopy (XPS) and energy dispersive X-ray spectrum (EDS). The photoluminescence spectra (PL and PLE) tests show that the exciting and emitting intensity of PLE and PL gradually increase due to the increase of Si{sub 3}N{sub 4} concentration. Meanwhile, the phosphorescence decay times are prolonged from 45 ns (x = 0) to 78 ns (x = 0.3), under the monitor of 530 nm wavelength. The thermoluminescence tests (TL) confirm the thermal stability of as-phosphors with Si{sub 3}N{sub 4} addition is much better than that of the pristine Y{sub 2.9}Ce{sub 0.1}Al{sub 5}O{sub 12} phosphors.

A Friendly-Biological Reactor SIMulator (BioReSIM for studying biological processes in wastewater treatment processes

Directory of Open Access Journals (Sweden)

Raul Molina

2014-12-01

Full Text Available Biological processes for wastewater treatments are inherently dynamic systems because of the large variations in the influent wastewater flow rate, concentration composition and the adaptive behavior of the involved microorganisms. Moreover, the sludge retention time (SRT is a critical factor to understand the bioreactor performances when changes in the influent or in the operation conditions take place. Since SRT are usually in the range of 10-30 days, the performance of biological reactors needs a long time to be monitored in a regular laboratory demonstration, limiting the knowledge that can be obtained in the experimental lab practice. In order to overcome this lack, mathematical models and computer simulations are useful tools to describe biochemical processes and predict the overall performance of bioreactors under different working operation conditions and variations of the inlet wastewater composition. The mathematical solution of the model could be difficult as numerous biochemical processes can be considered. Additionally, biological reactors description (mass balance, etc. needs models represented by partial or/and ordinary differential equations associated to algebraic expressions, that require complex computational codes to obtain the numerical solutions. Different kind of software for mathematical modeling can be used, from large degree of freedom simulators capable of free models definition (as AQUASIM, to closed predefined model structure programs (as BIOWIN. The first ones usually require long learning curves, whereas the second ones could be excessively rigid for specific wastewater treatment systems. As alternative, we present Biological Reactor SIMulator (BioReSIM, a MATLAB code for the simulation of sequencing batch reactors (SBR and rotating biological contactors (RBC as biological systems of suspended and attached biomass for wastewater treatment, respectively. This BioReSIM allows the evaluation of simple and complex

Biological transportation networks: Modeling and simulation

KAUST Repository

Albi, Giacomo

2015-09-15

We present a model for biological network formation originally introduced by Cai and Hu [Adaptation and optimization of biological transport networks, Phys. Rev. Lett. 111 (2013) 138701]. The modeling of fluid transportation (e.g., leaf venation and angiogenesis) and ion transportation networks (e.g., neural networks) is explained in detail and basic analytical features like the gradient flow structure of the fluid transportation network model and the impact of the model parameters on the geometry and topology of network formation are analyzed. We also present a numerical finite-element based discretization scheme and discuss sample cases of network formation simulations.

The melting curve of MgSiO3 perovskite from molecular dynamics simulation

International Nuclear Information System (INIS)

Liu Zijiang; Zhang Cairong; Sun Xiaowei; Song Ting; Chu Yandong; Hu Jianbo

2011-01-01

The high-pressure melting curve of MgSiO 3 perovskite is simulated by using the constant temperature and pressure molecular dynamics method combined with effective pair potentials. The simulated structural properties of MgSiO 3 perovskite at ambient conditions reproduce the experiments and agree well with other theoretical works. The calculated equation of state is very successful in reproducing accurately the recent experimental data over wide pressure ranges. The predicted high-pressure melting curve is in good agreement with the recent experimental and the latest theoretical ones, and the melting curve up to the core-mantle boundary pressure, being very steep at lower pressures, rapidly flattens on increasing pressure. The present results also suggest the validity of the experimental data of Zerr and Boehler (1993 Science 262 553) and Shen and Lazor (1995 J. Geophys. Res. 100 17699).

Crystal Structure of Homo Sapiens PTD012 Reveals a Zinc-Containing Hydrolase Fold

Energy Technology Data Exchange (ETDEWEB)

Manjasetty,B.; Bussow, K.; Fieber-ErdMan, M.; Roske, Y.; Gobam, J.; Scheich, C.; Gotz, F.; Niesen, F.; Heinemann, U.

2006-01-01

The human protein PTD012 is the longer product of an alternatively spliced gene and was described to be localized in the nucleus. The X-ray structure analysis at 1.7 Angstroms resolution of PTD012 through SAD phasing reveals a monomeric protein and a novel fold. The shorter splice form was also studied and appears to be unfolded and non-functional. The structure of PTD012 displays an {alpha}{beta}{beta}{alpha} four-layer topology. A metal ion residing between the central {beta}-sheets is partially coordinated by three histidine residues. X-ray absorption near-edge structure (XANES) analysis identifies the PTD012-bound ion as Zn{sup 2+}. Tetrahedral coordination of the ion is completed by the carboxylate oxygen atom of an acetate molecule taken up from the crystallization buffer. The binding of Zn{sup 2+} to PTD012 is reminiscent of zinc-containing enzymes such as carboxypeptidase, carbonic anhydrase, and {beta}-lactamase. Biochemical assays failed to demonstrate any of these enzyme activities in PTD012. However, PTD012 exhibits ester hydrolase activity on the substrate p-nitrophenyl acetate.

Fast Track Finding in the ILC's Silicon Detector, SiD01

International Nuclear Information System (INIS)

Baker, David E.

2007-01-01

A fast track finder is presented which, unlike its more efficient, more computationally costly O(n3) time counterparts, tracks particles in O(n) time (for n being the number of hits). Developed as a tool for processing data from the ILC's proposed SiD detector, development of this fast track finder began with that proposed by Pablo Yepes in 1996 and adjusted to accommodate the changes in geometry of the SiD detector. First, space within the detector is voxellated, with hits assigned to voxels according to their r, φ, and η coordinates. A hit on the outermost layer is selected, and a 'sample space' is built from the hits in the selected hit's surrounding voxels. The hit in the sample space with the smallest distance to the first is then selected, and the sample space recalculated for this hit. This process continues until the list of hits becomes large enough, at which point the helical circle in the x, y plane is conformally mapped to a line in the x', y' plane, and hits are chosen from the sample spaces of the previous fit by selecting the hits which fit a line to the previously selected points with the smallest χ 2 . Track finding terminates when the innermost layer has been reached or no hit in the sample space fits those previously selected to an acceptable χ 2 . Again, a hit on the outermost layer is selected and the process repeats until no assignable hits remain. The algorithm proved to be very efficient on artificial diagnostic events, such as one hundred muons scattered at momenta of 1 GeV/c to 10 GeV/c. Unfortunately, when tracking simulated events corresponding to actual physics, the track finder's efficiency decreased drastically (mostly due to signal noise), though future data cleaning programs could noticeably increase its efficiency on these events

Apollo Spacecraft 012 Command/Service Module being moved to Operations bldg

Science.gov (United States)

1967-01-01

Transfer of Apollo Spacecraft 012 Command/Service Module for mating to the Saturn Lunar Module Adapter No. 05 in the Manned Spacecraft Operations bldg. S/C 012 will be flown on the Apollo/Saturn 204 mission.

Self-learning kinetic Monte Carlo simulations of diffusion in ferromagnetic α-Fe-Si alloys

Science.gov (United States)

Nandipati, Giridhar; Jiang, Xiujuan; Vemuri, Rama S.; Mathaudhu, Suveen; Rohatgi, Aashish

2018-01-01

Diffusion of Si atom and vacancy in the A2-phase of α-Fe-Si alloys in the ferromagnetic state, with and without magnetic order and in various temperature ranges, are studied using AKSOME, an on-lattice self-learning KMC code. Diffusion of the Si atom and the vacancy are studied in the dilute limit and up to 12 at.% Si, respectively, in the temperature range 350-700 K. Local Si neighborhood dependent activation energies for vacancy hops were calculated on-the-fly using a broken-bond model based on pairwise interaction. The migration barrier and prefactor for the Si diffusion in the dilute limit were obtained and found to agree with published data within the limits of uncertainty. Simulations results show that the prefactor and the migration barrier for the Si diffusion are approximately an order of magnitude higher, and a tenth of an electron-volt higher, respectively, in the magnetic disordered state than in the fully ordered state. However, the net result is that magnetic disorder does not have a significant effect on Si diffusivity within the range of parameters studied in this work. Nevertheless, with increasing temperature, the magnetic disorder increases and its effect on the Si diffusivity also increases. In the case of vacancy diffusion, with increasing Si concentration, its diffusion prefactor decreases while the migration barrier more or less remained constant and the effect of magnetic disorder increases with Si concentration. Important vacancy-Si/Fe atom exchange processes and their activation barriers were identified, and the effect of energetics on ordered phase formation in Fe-Si alloys are discussed.

Early stage oxynitridation process of Si(001) surface by NO gas: Reactive molecular dynamics simulation study

International Nuclear Information System (INIS)

Cao, Haining; Kim, Seungchul; Lee, Kwang-Ryeol; Srivastava, Pooja; Choi, Keunsu

2016-01-01

Initial stage of oxynitridation process of Si substrate is of crucial importance in fabricating the ultrathin gate dielectric layer of high quality in advanced MOSFET devices. The oxynitridation reaction on a relaxed Si(001) surface is investigated via reactive molecular dynamics (MD) simulation. A total of 1120 events of a single nitric oxide (NO) molecule reaction at temperatures ranging from 300 to 1000 K are statistically analyzed. The observed reaction kinetics are consistent with the previous experimental or calculation results, which show the viability of the reactive MD technique to study the NO dissociation reaction on Si. We suggest the reaction pathway for NO dissociation that is characterized by the inter-dimer bridge of a NO molecule as the intermediate state prior to NO dissociation. Although the energy of the inter-dimer bridge is higher than that of the intra-dimer one, our suggestion is supported by the ab initio nudged elastic band calculations showing that the energy barrier for the inter-dimer bridge formation is much lower. The growth mechanism of an ultrathin Si oxynitride layer is also investigated via consecutive NO reactions simulation. The simulation reveals the mechanism of self-limiting reaction at low temperature and the time evolution of the depth profile of N and O atoms depending on the process temperature, which would guide to optimize the oxynitridation process condition.

Early stage oxynitridation process of Si(001) surface by NO gas: Reactive molecular dynamics simulation study

Energy Technology Data Exchange (ETDEWEB)

Cao, Haining; Kim, Seungchul; Lee, Kwang-Ryeol, E-mail: krlee@kist.re.kr [Computational Science Research Center, Korea Institute of Science and Technology, 5, Hwarangno 14-gil, Seongbuk-gu, Seoul 02792 (Korea, Republic of); Department of Nanomaterial Science and Technology, Korea University of Science and Technology, 217 Gajeong-ro, Yuseong-gu, Daejeon 34113 (Korea, Republic of); Srivastava, Pooja; Choi, Keunsu [Computational Science Research Center, Korea Institute of Science and Technology, 5, Hwarangno 14-gil, Seongbuk-gu, Seoul 02792 (Korea, Republic of)

2016-03-28

Initial stage of oxynitridation process of Si substrate is of crucial importance in fabricating the ultrathin gate dielectric layer of high quality in advanced MOSFET devices. The oxynitridation reaction on a relaxed Si(001) surface is investigated via reactive molecular dynamics (MD) simulation. A total of 1120 events of a single nitric oxide (NO) molecule reaction at temperatures ranging from 300 to 1000 K are statistically analyzed. The observed reaction kinetics are consistent with the previous experimental or calculation results, which show the viability of the reactive MD technique to study the NO dissociation reaction on Si. We suggest the reaction pathway for NO dissociation that is characterized by the inter-dimer bridge of a NO molecule as the intermediate state prior to NO dissociation. Although the energy of the inter-dimer bridge is higher than that of the intra-dimer one, our suggestion is supported by the ab initio nudged elastic band calculations showing that the energy barrier for the inter-dimer bridge formation is much lower. The growth mechanism of an ultrathin Si oxynitride layer is also investigated via consecutive NO reactions simulation. The simulation reveals the mechanism of self-limiting reaction at low temperature and the time evolution of the depth profile of N and O atoms depending on the process temperature, which would guide to optimize the oxynitridation process condition.

Effect of aluminum on microstructure and property of Cu–Ni–Si alloys

International Nuclear Information System (INIS)

Lei, Q.; Li, Z.; Dai, C.; Wang, J.; Chen, X.; Xie, J.M.; Yang, W.W.; Chen, D.L.

2013-01-01

The effect of aluminum on the microstructure and properties of Cu–Ni–Si alloys has been investigated using hardness test, electrical conductivity measurement, optical microscopy, X-ray diffraction analysis, scanning electron microscopy and transmission electron microscopy. Compared with Cu–Ni–Si alloy, Cu–Ni–Si–Al alloy had finer grains. After homogenization treatment at 940 °C for 4 h, hot rolling by 80% at 850 °C, solution treatment at 970 °C for 4 h, cold rolling by 50% and ageing treatment at 450 °C for 60 min, properties better than Cu–Ni–Si alloy have been obtained in Cu–Ni–Si–Al alloy: hardness was 343 HV, electrical conductivity was 28.1% IACS, tensile strength was 1080 MPa, yield strength was 985 MPa, elongation percentage was 3.1% and stress relaxation rate was 9.83% (as tested at 150 °C and loading for 100 h). β-Ni 3 Si and δ-Ni 2 Si formed during the ageing process and the crystal orientation relationship between matrix and precipitates was : (02-bar 2-bar ) Cu (01-bar 1-bar ) β (010) δ , [100] Cu [100] β [001] δ ; (111-bar ) Cu (111-bar ) β (02-bar 1) δ , [112] Cu [112] β [012] δ . Addition of Al promoted the precipitation, and effectively enhanced the anti-stress relaxation property. Quasi-cleavage fracture with shallow dimples appeared in designed Cu–Ni–Si–(Al) alloy

Multiaxial channeling study of disorder accumulation and recovery in gold-irradiated 6H-SiC

International Nuclear Information System (INIS)

Jiang, W.; Weber, W. J.

2001-01-01

Single crystal 6H-SiC has been irradiated 60 o off normal with 2 MeV Au 2+ ions at 300 K to fluences of 0.029, 0.058, and 0.12 ions/nm2, which produced relatively low damage levels. The disorder profiles as a function of ion fluence on both the Si and C sublattices have been determined simultaneously in situ using Rutherford backscattering and nuclear reaction analysis with 0.94 MeV D + ions in channeling geometry along the , , and axes. Along the axis at these low doses, similar levels of Si and C disorder are observed, and the damage accumulation is linear with dose. However, along and , the disorder accumulation is larger and increases sublinearly with dose. Furthermore, a higher level of C disorder than Si disorder is observed along the and axes, which is consistent with a smaller threshold displacement energy on the C sublattice in SiC. The mean lattice displacement, perpendicular to each corresponding axis, ranges from 0.014 to 0.037 nm for this range of ion fluences. A steady accumulation of small displacements due to lattice stress is observed along the axis, and a detectable reduction of the lattice stress perpendicular to the axis occurs at 0.12 Au 2+ /nm 2 . There is only a moderate recovery of disorder, produced at and below 0.058 Au 2+ /nm 2 , during thermal annealing at 570 K; more significant recovery is observed for 0.12 Au 2+ /nm 2 along both the and axes

Multiaxial Channeling Study of Disorder Accumulation and Recovery in Gold-Irradiated 6H-SiC

Energy Technology Data Exchange (ETDEWEB)

Jiang, Weilin; Weber, William J.

2001-09-14

Single crystal 6H-SiC has been irradiated 60 degrees off normal with 2 MeV Au ions at 300 K to fluences of 0.029, 0.058 and 0.12 ions/nm, which produced relatively low damage levels. The disorder profiles as a function of ion fluence on both the Si and C sublattices have been determined simultaneously in situ using Rutherford backscattering and nuclear reaction analysis with 0.94 MeV D+ ions in channeling geometry along the <0001>, <102> and <101> axes. Along the <0001> axis at these low doses, similar levels of Si and C disorder are observed, and the damage accumulation is linear with dose. However, along <102> and <101>, the disorder accumulation is larger and increases sublinearly with dose. Furthermore, a higher level of C disorder than Si disorder is observed along the <102> and <101> axes, which is consistent with a smaller threshold displacement energy on the C sublattice in SiC. The mean lattice displacement, perpendicular to each corresponding axis, ranges from 0.014 to 0.037 nm for this range of ion fluences. A steady accumulation of small displacements due to lattice stress is observed along the <101> axis, and a detectable reduction of the lattice stress perpendicular to the <0001> axis occurs at 0.12 Au/nm. There is only a moderate recovery of disorder, produced at and below 0.058 Au/nm, during thermal annealing at 570 K; more significant recovery is observed for 0.12 Au/nm along both the <0001> and <102> axes.

Biocellion: accelerating computer simulation of multicellular biological system models.

Science.gov (United States)

Kang, Seunghwa; Kahan, Simon; McDermott, Jason; Flann, Nicholas; Shmulevich, Ilya

2014-11-01

Biological system behaviors are often the outcome of complex interactions among a large number of cells and their biotic and abiotic environment. Computational biologists attempt to understand, predict and manipulate biological system behavior through mathematical modeling and computer simulation. Discrete agent-based modeling (in combination with high-resolution grids to model the extracellular environment) is a popular approach for building biological system models. However, the computational complexity of this approach forces computational biologists to resort to coarser resolution approaches to simulate large biological systems. High-performance parallel computers have the potential to address the computing challenge, but writing efficient software for parallel computers is difficult and time-consuming. We have developed Biocellion, a high-performance software framework, to solve this computing challenge using parallel computers. To support a wide range of multicellular biological system models, Biocellion asks users to provide their model specifics by filling the function body of pre-defined model routines. Using Biocellion, modelers without parallel computing expertise can efficiently exploit parallel computers with less effort than writing sequential programs from scratch. We simulate cell sorting, microbial patterning and a bacterial system in soil aggregate as case studies. Biocellion runs on x86 compatible systems with the 64 bit Linux operating system and is freely available for academic use. Visit http://biocellion.com for additional information. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Simbios: an NIH national center for physics-based simulation of biological structures.

Science.gov (United States)

Delp, Scott L; Ku, Joy P; Pande, Vijay S; Sherman, Michael A; Altman, Russ B

2012-01-01

Physics-based simulation provides a powerful framework for understanding biological form and function. Simulations can be used by biologists to study macromolecular assemblies and by clinicians to design treatments for diseases. Simulations help biomedical researchers understand the physical constraints on biological systems as they engineer novel drugs, synthetic tissues, medical devices, and surgical interventions. Although individual biomedical investigators make outstanding contributions to physics-based simulation, the field has been fragmented. Applications are typically limited to a single physical scale, and individual investigators usually must create their own software. These conditions created a major barrier to advancing simulation capabilities. In 2004, we established a National Center for Physics-Based Simulation of Biological Structures (Simbios) to help integrate the field and accelerate biomedical research. In 6 years, Simbios has become a vibrant national center, with collaborators in 16 states and eight countries. Simbios focuses on problems at both the molecular scale and the organismal level, with a long-term goal of uniting these in accurate multiscale simulations.

Bioactive SrO-SiO2 glass with well-ordered mesopores: characterization, physiochemistry and biological properties.

Science.gov (United States)

Wu, Chengtie; Fan, Wei; Gelinsky, Michael; Xiao, Yin; Simon, Paul; Schulze, Renate; Doert, Thomas; Luo, Yongxiang; Cuniberti, Gianaurelio

2011-04-01

For a biomaterial to be considered suitable for bone repair it should ideally be both bioactive and have a capacity for controllable drug delivery; as such, mesoporous SiO(2) glass has been proposed as a new class of bone regeneration material by virtue of its high drug-loading ability and generally good biocompatibility. It does, however, have less than optimum bioactivity and controllable drug delivery properties. In this study, we incorporated strontium (Sr) into mesoporous SiO(2) in an effort to develop a bioactive mesoporous SrO-SiO(2) (Sr-Si) glass with the capacity to deliver Sr(2+) ions, as well as a drug, at a controlled rate, thereby producing a material better suited for bone repair. The effects of Sr(2+) on the structure, physiochemistry, drug delivery and biological properties of mesoporous Sr-Si glass were investigated. The prepared mesoporous Sr-Si glass was found to have an excellent release profile of bioactive Sr(2+) ions and dexamethasone, and the incorporation of Sr(2+) improved structural properties, such as mesopore size, pore volume and specific surface area, as well as rate of dissolution and protein adsorption. The mesoporous Sr-Si glass had no cytotoxic effects and its release of Sr(2+) and SiO(4)(4-) ions enhanced alkaline phosphatase activity - a marker of osteogenic cell differentiation - in human bone mesenchymal stem cells. Mesoporous Sr-Si glasses can be prepared to porous scaffolds which show a more sustained drug release. This study suggests that incorporating Sr(2+) into mesoporous SiO(2) glass produces a material with a more optimal drug delivery profile coupled with improved bioactivity, making it an excellent material for bone repair applications. Copyright © 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

[Numerical simulation and operation optimization of biological filter].

Science.gov (United States)

Zou, Zong-Sen; Shi, Han-Chang; Chen, Xiang-Qiang; Xie, Xiao-Qing

2014-12-01

BioWin software and two sensitivity analysis methods were used to simulate the Denitrification Biological Filter (DNBF) + Biological Aerated Filter (BAF) process in Yuandang Wastewater Treatment Plant. Based on the BioWin model of DNBF + BAF process, the operation data of September 2013 were used for sensitivity analysis and model calibration, and the operation data of October 2013 were used for model validation. The results indicated that the calibrated model could accurately simulate practical DNBF + BAF processes, and the most sensitive parameters were the parameters related to biofilm, OHOs and aeration. After the validation and calibration of model, it was used for process optimization with simulating operation results under different conditions. The results showed that, the best operation condition for discharge standard B was: reflux ratio = 50%, ceasing methanol addition, influent C/N = 4.43; while the best operation condition for discharge standard A was: reflux ratio = 50%, influent COD = 155 mg x L(-1) after methanol addition, influent C/N = 5.10.

Development of Core Simulator (CoSi) for APR1400 And Analysis of LPPT Result using APR1400-CoSi

International Nuclear Information System (INIS)

Moon, Sang-Rae; Kim, Yong-Bae; Lee, Eun-Ki

2014-01-01

According to NRC guidelines, Low Power Physics Test (LPPT) is required to be performed in low temperature/low pressure (160 .deg. C/42.2 kg/cm 2 ) as well as NOT/NOP (291.3 .deg. C/158.2 kg/cm 2 ) because Shin-Kori Unit 3 is FOAK nuclear power plant. Low Power Physics Test (LPPT) is essential to verify the nuclear design and robustness of reactor safety. LPPT consists of initial criticality, Point of Adding Heat (POAH), All Rod Out (ARO) Boron Concentration, Isothermal Temperature Coefficient (ITC), Control Rod Worth measurements and so on. KHNP-CRI has developed the Core Simulator for APR1400 (APR1400-CoSi) in order to improve the ability performing the LPPT. Especially, APR1400-CoSi has enhanced capability to calculate the full Core neutronic parameters by revising RAST-K that is three dimensional real time core kinetic program. APR1400-CoSi has been developed for education-training of Low Power Physics Test(LPPT). Particularly, APR1400-CoSi has an enhanced capability to calculate the full core neutronic parameters by revising RAST-K which is a three dimensional real time core kinetics program. Low Power Physics Test (LPPT) was performed using APR1400-CoSi and the results showed very similar values with the predicted ones. In other words, the initial core model of Shin-Kori Unit 3 in APR1400-CoSi system has been verified to be appropriate enough. Also, it was confirmed that the test range of Low Power Physics Test (LPPT) reamains effective even though the largest incremental bank reactivity is inserted in core by analyzing the power change during the rod SWAP test

Tetrahedral ↔ octahedral network structure transition in simulated vitreous SiO2

International Nuclear Information System (INIS)

Vo Van Hoang; Nguyen Trung Hai; Hoang Zung

2006-01-01

By using molecular dynamics (MD) simulations we found a transition from a tetrahedral to an octahedral network structure in an amorphous SiO 2 model under compression from 2.20 to 5.35 g/cm 3 . And on heating of a high density amorphous (hda) model of 5.35 g/cm 3 at zero pressure, the structure transforms to a low density amorphous (lda) form. Simulations were done in a model containing 3000 particles under periodic boundary conditions with interatomic potentials which have a weak Coulomb interaction and a Morse type short-range interaction

National Land Cover Database 2001 (NLCD01) Tree Canopy Layer Tile 2, Northeast United States: CNPY01_2

Science.gov (United States)

LaMotte, Andrew E.; Wieczorek, Michael

2010-01-01

This 30-meter resolution data set represents the tree canopy layer for the conterminous United States for the 2001 time period. The data have been arranged into four tiles to facilitate timely display and manipulation within a Geographic Information System, browse graphic: nlcd01-partition.jpg The National Land Cover Data Set for 2001 was produced through a cooperative project conducted by the Multi-Resolution Land Characteristics (MRLC) Consortium. The MRLC Consortium is a partnership of Federal agencies (www.mrlc.gov), consisting of the U.S. Geological Survey (USGS), the National Oceanic and Atmospheric Administration (NOAA), the U.S. Environmental Protection Agency (USEPA), the U.S. Department of Agriculture (USDA), the U.S. Forest Service (USFS), the National Park Service (NPS), the U.S. Fish and Wildlife Service (USFWS), the Bureau of Land Management (BLM), and the USDA Natural Resources Conservation Service (NRCS). One of the primary goals of the project is to generate a current, consistent, seamless, and accurate National Land Cover Database (NLCD) circa 2001 for the United States at medium spatial resolution. For a detailed definition and discussion on MRLC and the NLCD 2001 products, refer to Homer and others (2004) and http://www.mrlc.gov/mrlc2k.asp. The NLCD 2001 was created by partitioning the United States into mapping-zones. A total of 68 mapping-zones browse graphic: nlcd01-mappingzones.jpg were delineated within the conterminous United States based on ecoregion and geographical characteristics, edge-matching features, and the size requirement of Landsat mosaics. Mapping-zones encompass the whole or parts of several states. Questions about the NLCD mapping zones can be directed to the NLCD 2001 Land Cover Mapping Team at the USGS/EROS, Sioux Falls, SD (605) 594-6151 or mrlc@usgs.gov.

STOCHSIMGPU: parallel stochastic simulation for the Systems Biology Toolbox 2 for MATLAB

KAUST Repository

Klingbeil, G.

2011-02-25

Motivation: The importance of stochasticity in biological systems is becoming increasingly recognized and the computational cost of biologically realistic stochastic simulations urgently requires development of efficient software. We present a new software tool STOCHSIMGPU that exploits graphics processing units (GPUs) for parallel stochastic simulations of biological/chemical reaction systems and show that significant gains in efficiency can be made. It is integrated into MATLAB and works with the Systems Biology Toolbox 2 (SBTOOLBOX2) for MATLAB. Results: The GPU-based parallel implementation of the Gillespie stochastic simulation algorithm (SSA), the logarithmic direct method (LDM) and the next reaction method (NRM) is approximately 85 times faster than the sequential implementation of the NRM on a central processing unit (CPU). Using our software does not require any changes to the user\\'s models, since it acts as a direct replacement of the stochastic simulation software of the SBTOOLBOX2. © The Author 2011. Published by Oxford University Press. All rights reserved.

Impact of rice-straw biochars amended soil on the biological Si cycle in soil-plant ecosystem

Science.gov (United States)

Li, Zimin; Delvaux, Bruno; Struyf, Eric; Unzué-Belmonte, Dácil; Ronsse, Frederik; Cornelis, Jean-Thomas

2017-04-01

uptake by wheat , Si-/biochar does not increase the Si content of plants in either soil type. As expected, Si+/biochar and wollastonite significantly increase the Si content of wheat plants grown on both soils. The increase caused by Si+/biochar is, larger in NI (10 mg Si pot-1) than that in CA (5 mg Si pot-1). This result is in line with the release of CaCl2 extractable Si in both soils amended by Si+/biochar, confirming the validity of CaCl2-extraction to estimate the pool of bioavailable Si. Our data highlight that phytolith-rich biochar readily contributes to the pool of bioavailable Si, further taken up by plant roots, and increases Si mineralomass in plants as well as plant growth. Thus it provides an alternative to wollastonite application. The effect is particularly large in the highly weathered Nitisol. Under such conditions, the impact of phytolith rich biochar is not limited to the enhancement of Si biological cycle, but is extended to the increase of soil pH, CEC and organic matter content.

Semi-automated operation of Mars Climate Simulation chamber - MCSC modelled for biological experiments

Science.gov (United States)

Tarasashvili, M. V.; Sabashvili, Sh. A.; Tsereteli, S. L.; Aleksidze, N. D.; Dalakishvili, O.

2017-10-01

The Mars Climate Simulation Chamber (MCSC) (GEO PAT 12 522/01) is designed for the investigation of the possible past and present habitability of Mars, as well as for the solution of practical tasks necessary for the colonization and Terraformation of the Planet. There are specific tasks such as the experimental investigation of the biological parameters that allow many terrestrial organisms to adapt to the imitated Martian conditions: chemistry of the ground, atmosphere, temperature, radiation, etc. MCSC is set for the simulation of the conduction of various biological experiments, as well as the selection of extremophile microorganisms for the possible Settlement, Ecopoesis and/or Terraformation purposes and investigation of their physiological functions. For long-term purposes, it is possible to cultivate genetically modified organisms (e.g., plants) adapted to the Martian conditions for future Martian agriculture to sustain human Mars missions and permanent settlements. The size of the chamber allows preliminary testing of the functionality of space-station mini-models and personal protection devices such as space-suits, covering and building materials and other structures. The reliability of the experimental biotechnological materials can also be tested over a period of years. Complex and thorough research has been performed to acquire the most appropriate technical tools for the accurate engineering of the MCSC and precious programmed simulation of Martian environmental conditions. This paper describes the construction and technical details of the equipment of the MCSC, which allows its semi-automated, long-term operation.

Evidence for possible biological advantages of the newly emerging HIV-1 circulating recombinant form from Malaysia - CRF33_01B in comparison to its progenitors - CRF01_AE and subtype B.

Science.gov (United States)

Lau, Katherine A; Wang, Bin; Miranda-Saksena, Monica; Boadle, Ross; Kamarulzaman, Adeeba; Ng, Kee-Peng; Saksena, Nitin K

2010-04-01

In Malaysia, co-circulation of CRF01_AE and subtype B has resulted in the emergence of the second generation derivative; CRF33_01B in approximately 20% of its HIV-1 infected individuals. Our objective was to identify possible biological advantages that CRF33_01B possesses over its progenitors. Biological and molecular comparisons of CRF33_01B against its parental subtypes clearly show that CRF33_01B replicated better in activated whole peripheral blood mononuclear cells (PBMCs) and CD4+ T-lymphocytes, but not monocyte-derived macrophages (MDMs). Also, its acquired fitness was greater than CRF01_AE but not subtype B. Moreover, CRF33_01B has higher rate of apoptotic cell death and syncytia induction compared to subtype B. These adaptive and survival abilities could have been acquired by CRF33_01B due to the incorporation of subtype B fragments into the gag-RT region of its full-length genome. Our studies confirm the previously held belief that HIV-1 strains may harbor enhanced biological fitness upon recombination. We therefore estimate a possible gradual replacement of the current predominance of CRF01_AE, as well as wider dissemination of CRF33_01B, together with the identification of other new CRF01_AE/B inter-subtype recombinants in Malaysia.

CaliBayes and BASIS: integrated tools for the calibration, simulation and storage of biological simulation models.

Science.gov (United States)

Chen, Yuhui; Lawless, Conor; Gillespie, Colin S; Wu, Jake; Boys, Richard J; Wilkinson, Darren J

2010-05-01

Dynamic simulation modelling of complex biological processes forms the backbone of systems biology. Discrete stochastic models are particularly appropriate for describing sub-cellular molecular interactions, especially when critical molecular species are thought to be present at low copy-numbers. For example, these stochastic effects play an important role in models of human ageing, where ageing results from the long-term accumulation of random damage at various biological scales. Unfortunately, realistic stochastic simulation of discrete biological processes is highly computationally intensive, requiring specialist hardware, and can benefit greatly from parallel and distributed approaches to computation and analysis. For these reasons, we have developed the BASIS system for the simulation and storage of stochastic SBML models together with associated simulation results. This system is exposed as a set of web services to allow users to incorporate its simulation tools into their workflows. Parameter inference for stochastic models is also difficult and computationally expensive. The CaliBayes system provides a set of web services (together with an R package for consuming these and formatting data) which addresses this problem for SBML models. It uses a sequential Bayesian MCMC method, which is powerful and flexible, providing very rich information. However this approach is exceptionally computationally intensive and requires the use of a carefully designed architecture. Again, these tools are exposed as web services to allow users to take advantage of this system. In this article, we describe these two systems and demonstrate their integrated use with an example workflow to estimate the parameters of a simple model of Saccharomyces cerevisiae growth on agar plates.

The Stellar Imager (SI) Project: A Deep Space UV/Optical Interferometer (UVOI) to Observe the Universe at 0.1 Milli-Arcsec Angular Resolution

Science.gov (United States)

Carpenter, Kenneth G.; Schrijver, Carolus J.; Karovska, Margarita

2008-01-01

The Stellar Imager (SI) is a space-based, UV/ Optical Interferometer (UVOI) designed to enable 0.1 milliarcsecond (mas) spectral imaging of stellar surfaces and of the Universe in general. It will also probe via asteroseismology flows and structures in stellar interiors. SI's science focuses on the role of magnetism in the Universe and will revolutionize our understanding, of the formation of planetary systems, of the habitability and climatology of distant planets, and of many magneto-hydrodynamically controlled processes, such as accretion, in the Universe. The ultra-sharp images of SI will revolutionize our view of many dynamic astrophysical processes by transforming point sources into extended sources, and snapshots into evolving views. SI is a "Flagship and Landmark Discovery Mission" in the 2005 Heliophysics Roadmap and a potential implementation of the UVOI in the 2006 Science Program for NASA's Astronomy and Physics Division. We present here the science goals of the SI Mission, a mission architecture that could meet those goals, and the technology development needed to enable this missin. Additional information on SI can be found at: http://hires.gsfc.nasa.gov/si/.

From HADES to PARADISE-atomistic simulation of defects in minerals

Energy Technology Data Exchange (ETDEWEB)

Parker, Stephen C; Cooke, David J; Kerisit, Sebastien; Marmier, Arnaud S; Taylor, Sarah L; Taylor, Stuart N [Department of Chemistry, University of Bath, Bath BA2 7AY (United Kingdom)

2004-07-14

The development of the HADES code by Michael Norgett in the 1970s enabled, for the first time, the routine simulation of point defects in inorganic solids at the atomic scale. Using examples from current research we illustrate how the scope and applications of atomistic simulations have widened with time and yet still follow an approach readily identifiable with this early work. Firstly we discuss the use of the Mott-Littleton methodology to study the segregation of various isovalent cations to the (00.1) and (01.2) surfaces of haematite ({alpha}-Fe{sub 2}O{sub 3}). The results show that the size of the impurities has a considerable effect on the magnitude of the segregation energy. We then extend these simulations to investigate the effect of the concentration of the impurities at the surface on the segregation process using a supercell approach. We consider next the effect of segregation to stepped surfaces illustrating this with recent work on segregation of La{sup 3+} to CaF{sub 2} surfaces, which show enhanced segregation to step edges. We discuss next the application of lattice dynamics to modelling point defects in complex oxide materials by applying this to the study of hydrogen incorporation into {beta}-Mg{sub 2}SiO{sub 4}. Finally our attention is turned to a method for considering the surface energy of physically defective surfaces and we illustrate its approach by considering the low index surfaces of {alpha}-Al{sub 2}O{sub 3}.

WE-H-BRA-04: Biological Geometries for the Monte Carlo Simulation Toolkit TOPASNBio

International Nuclear Information System (INIS)

McNamara, A; Held, K; Paganetti, H; Schuemann, J; Perl, J; Piersimoni, P; Ramos-Mendez, J; Faddegon, B

2016-01-01

Purpose: New advances in radiation therapy are most likely to come from the complex interface of physics, chemistry and biology. Computational simulations offer a powerful tool for quantitatively investigating radiation interactions with biological tissue and can thus help bridge the gap between physics and biology. The aim of TOPAS-nBio is to provide a comprehensive tool to generate advanced radiobiology simulations. Methods: TOPAS wraps and extends the Geant4 Monte Carlo (MC) simulation toolkit. TOPAS-nBio is an extension to TOPAS which utilizes the physics processes in Geant4-DNA to model biological damage from very low energy secondary electrons. Specialized cell, organelle and molecular geometries were designed for the toolkit. Results: TOPAS-nBio gives the user the capability of simulating biological geometries, ranging from the micron-scale (e.g. cells and organelles) to complex nano-scale geometries (e.g. DNA and proteins). The user interacts with TOPAS-nBio through easy-to-use input parameter files. For example, in a simple cell simulation the user can specify the cell type and size as well as the type, number and size of included organelles. For more detailed nuclear simulations, the user can specify chromosome territories containing chromatin fiber loops, the later comprised of nucleosomes on a double helix. The chromatin fibers can be arranged in simple rigid geometries or within factual globules, mimicking realistic chromosome territories. TOPAS-nBio also provides users with the capability of reading protein data bank 3D structural files to simulate radiation damage to proteins or nucleic acids e.g. histones or RNA. TOPAS-nBio has been validated by comparing results to other track structure simulation software and published experimental measurements. Conclusion: TOPAS-nBio provides users with a comprehensive MC simulation tool for radiobiological simulations, giving users without advanced programming skills the ability to design and run complex

WE-H-BRA-04: Biological Geometries for the Monte Carlo Simulation Toolkit TOPASNBio

Energy Technology Data Exchange (ETDEWEB)

McNamara, A; Held, K; Paganetti, H; Schuemann, J [Massachusetts General Hospital & Harvard Med. School, Boston, MA (United States); Perl, J [Stanford Linear Accelerator Center, Menlo Park, CA (United States); Piersimoni, P; Ramos-Mendez, J; Faddegon, B [University of California, San Francisco, San Francisco, CA (United States)

2016-06-15

Purpose: New advances in radiation therapy are most likely to come from the complex interface of physics, chemistry and biology. Computational simulations offer a powerful tool for quantitatively investigating radiation interactions with biological tissue and can thus help bridge the gap between physics and biology. The aim of TOPAS-nBio is to provide a comprehensive tool to generate advanced radiobiology simulations. Methods: TOPAS wraps and extends the Geant4 Monte Carlo (MC) simulation toolkit. TOPAS-nBio is an extension to TOPAS which utilizes the physics processes in Geant4-DNA to model biological damage from very low energy secondary electrons. Specialized cell, organelle and molecular geometries were designed for the toolkit. Results: TOPAS-nBio gives the user the capability of simulating biological geometries, ranging from the micron-scale (e.g. cells and organelles) to complex nano-scale geometries (e.g. DNA and proteins). The user interacts with TOPAS-nBio through easy-to-use input parameter files. For example, in a simple cell simulation the user can specify the cell type and size as well as the type, number and size of included organelles. For more detailed nuclear simulations, the user can specify chromosome territories containing chromatin fiber loops, the later comprised of nucleosomes on a double helix. The chromatin fibers can be arranged in simple rigid geometries or within factual globules, mimicking realistic chromosome territories. TOPAS-nBio also provides users with the capability of reading protein data bank 3D structural files to simulate radiation damage to proteins or nucleic acids e.g. histones or RNA. TOPAS-nBio has been validated by comparing results to other track structure simulation software and published experimental measurements. Conclusion: TOPAS-nBio provides users with a comprehensive MC simulation tool for radiobiological simulations, giving users without advanced programming skills the ability to design and run complex

Computer simulation of range and damage distributions of He ions in SiC

International Nuclear Information System (INIS)

Miyagawa, Yoshiko; Ato, Yasuro; Miyagawa, Soji

1984-01-01

The experimental projected ranges of various heavy ions in an amorphous Si target in the energy region where the nuclear stopping dominates are compared with calculations using the computer simulation program SASAMAL with the Lenz-Jensen, Moliere, Thomas-Fermi and Kalbitzer-Oetzmann (KO) screening parameters. In most cases. the best agreement was obtained with the KO screening parameters. The projected range distributions of He ions implanted in an SiC target were calculated using SASAMAL with KO screening parameters. The agreement between the SASAMAL(KO) results and our experimental data was satisfactory when the electronic stopping parameter k=1.3 k sub(NS) was used. The energy and the depth distributions of the primary knock-on atoms and the depth distributions of the recoil energy density with various values of the displacement energy Esub(d) were also calculated using SASAMAL(KO) for He ions in SiC. (author)

Effect of magnetic field on the microstructure and electrochemical performance of rapidly quenched La{sub 0.1}Nd{sub 0.075}Mg{sub 0.04}Ni{sub 0.65}Co{sub 0.12} alloy

Energy Technology Data Exchange (ETDEWEB)

Chen, Xiangrong [College of Chemistry and Chemical Engineering, Central South University, Changsha 410083 (China); Wang, Haiyan, E-mail: wanghy419@126.com [College of Chemistry and Chemical Engineering, Central South University, Changsha 410083 (China); Hunan Dahua New Energy Co., Ltd., Changsha 410600 (China); Zhu, Shuping; Li, Fangfang [College of Chemistry and Chemical Engineering, Central South University, Changsha 410083 (China); Tang, Yougen, E-mail: ygtang@csu.edu.cn [College of Chemistry and Chemical Engineering, Central South University, Changsha 410083 (China); Liu, Zuming [State Key Laboratory for Powder Metallurgy, Central South University, Changsha 410083 (China)

2014-12-25

Highlights: • La{sub 0.1}Nd{sub 0.075}Mg{sub 0.04}Ni{sub 0.65}Co{sub 0.12} alloy is rapidly quenched in a 0.18 T static magnetic field. • The multiphase structures of as-treated alloys remain unchanged. • Grain refinement is achieved with the aid of magnetic field. • Magnetic field favors the formation of La{sub 2}Ni{sub 7} phase. • The as-prepared alloy exhibits improved electrochemical performance. - Abstract: Rare earth–Mg–Ni-based (RE–Mg–Ni-based) La{sub 0.1}Nd{sub 0.075}Mg{sub 0.04}Ni{sub 0.65}Co{sub 0.12} hydrogen storage alloys were rapidly quenched with and without exerting a 0.18 T static magnetic field and investigated by X-ray diffraction (XRD), scanning electron microscope (SEM), energy dispersive spectroscopy (EDS) studies and various electrochemical measurements. The results show that all samples hold a two-phase structure consisting of La{sub 2}Ni{sub 7} phase and LaNi{sub 5} phase, suggesting that the structure remains unchanged after treatment. Grain refinement, homogeneous composition and increase in La{sub 2}Ni{sub 7} phase abundance are achieved when magnetic field is applied. In comparison to quenched alloys, higher discharge capacities are obtained for the alloys prepared with the aid of magnetic field mainly due to the larger La{sub 2}Ni{sub 7} phase abundance. Cycling stability is improved with increasing quenching rate probably owing to better anti-pulverization ability resulted from refined grain size. Ameliorated electrochemical kinetics of the magnetic field assisted rapidly quenched alloys has been confirmed by potential-step measurements and electrochemical impedance spectroscopy (EIS) tests in accordance with the enhanced electrochemical properties.

Effect of aluminum on microstructure and property of Cu–Ni–Si alloys

Energy Technology Data Exchange (ETDEWEB)

Lei, Q. [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); Li, Z., E-mail: lizhou6931@163.com [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); State Key Laboratory of Powder Metallurgy, Changsha 410083 (China); Dai, C. [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); Wang, J. [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); Key Laboratory of Nonferrous Metal Materials Science and Engineering, Ministry of Education, Changsha 410083 (China); Chen, X.; Xie, J.M.; Yang, W.W.; Chen, D.L. [School of Materials Science and Engineering, Central South University, Changsha 410083 (China)

2013-06-10

The effect of aluminum on the microstructure and properties of Cu–Ni–Si alloys has been investigated using hardness test, electrical conductivity measurement, optical microscopy, X-ray diffraction analysis, scanning electron microscopy and transmission electron microscopy. Compared with Cu–Ni–Si alloy, Cu–Ni–Si–Al alloy had finer grains. After homogenization treatment at 940 °C for 4 h, hot rolling by 80% at 850 °C, solution treatment at 970 °C for 4 h, cold rolling by 50% and ageing treatment at 450 °C for 60 min, properties better than Cu–Ni–Si alloy have been obtained in Cu–Ni–Si–Al alloy: hardness was 343 HV, electrical conductivity was 28.1% IACS, tensile strength was 1080 MPa, yield strength was 985 MPa, elongation percentage was 3.1% and stress relaxation rate was 9.83% (as tested at 150 °C and loading for 100 h). β-Ni{sub 3}Si and δ-Ni{sub 2}Si formed during the ageing process and the crystal orientation relationship between matrix and precipitates was : (02-bar 2-bar ){sub Cu} (01-bar 1-bar ){sub β} (010){sub δ}, [100]{sub Cu} [100]{sub β} [001]{sub δ}; (111-bar ){sub Cu} (111-bar ){sub β} (02-bar 1){sub δ}, [112]{sub Cu} [112]{sub β} [012]{sub δ}. Addition of Al promoted the precipitation, and effectively enhanced the anti-stress relaxation property. Quasi-cleavage fracture with shallow dimples appeared in designed Cu–Ni–Si–(Al) alloy.

Monte Carlo simulation of dose enhancement effect of X-ray at Au/Si interface

International Nuclear Information System (INIS)

Wu Zhengxin; He Chengfa; Lu Wu; Guo Qi; Yu Xin; Zhang Lei; Deng Wei; Zheng Qiwen; ARKIN Abulim

2013-01-01

Background: The dose enhancement factor of X-ray was found in 1970s, because of its bad damage to electronic devices. Purpose: This paper is mainly to calculate the dose-enhancement factor at Au/Si interfaces. Methods: The gradient distribution of dose with X-rays has been studied at and near the interface of Au/Si by Monte-Carlo simulation of particle transportation. The mechanism of dose enhancement is discussed based on the principles of interaction of photon with matter. A 3D Au/Si model has been established by MCNP5 program and the dose-enhancement factors of different thicknesses Au/Si interfaces were calculated by Monte Carlo method. Results: The calculated results demonstrate that there exists a stronger dose-enhancement in the Si side near the interface when the energy of X-ray is 30-300 keV. Conclusions: When the thickness of Au is 0-10 μm, dose-enhancement factor of X-ray increases along with the increase of the thickness of Au, when the thickness of Au exceeds 10 μm, dose-enhancement factor of X-ray decreases along with the increase of the thickness of Au. (authors)

Structural analysis of molten Na2O-NaF-SiO2 system by Raman spectroscopy and molecular dynamics simulation

International Nuclear Information System (INIS)

Sasaki, Yasushi; Urata, Hidehiro; Ishii, Kuniyoshi

2003-01-01

To determine the effect of F ions on the structure of the molten alkali silicate systems, quenched Na 2 O-SiO 2 -NaF systems were investigated by Raman spectroscopy and molecular dynamics simulation. The systematic increase of 1100cm -1 band intensity in the Raman spectra of the silicate melts accompanying the replacement of O by F provides the evidence for concomitant polymerization of melts. From the molecular dynamics simulation, it was confirmed that most of substituted F was mainly coordinated to Na + ions but not Si 4+ ions at least up to 12.5 mol% of F ion content. A small amount of F was found to be coordinated to Si as a non-bridging ion from the molecular dynamics simulation, although there was no recognizable evidence from Raman Spectroscopy. These results were consistent with the mechanism in which F associated with otherwise network-modifying Na rather than with network-forming Si. Since F was associated to Na + ions, the replace of O ion by two F ions promote the polymerization of silicate melts. (author)

On Designing Multicore-Aware Simulators for Systems Biology Endowed with OnLine Statistics

Directory of Open Access Journals (Sweden)

Marco Aldinucci

2014-01-01

Full Text Available The paper arguments are on enabling methodologies for the design of a fully parallel, online, interactive tool aiming to support the bioinformatics scientists .In particular, the features of these methodologies, supported by the FastFlow parallel programming framework, are shown on a simulation tool to perform the modeling, the tuning, and the sensitivity analysis of stochastic biological models. A stochastic simulation needs thousands of independent simulation trajectories turning into big data that should be analysed by statistic and data mining tools. In the considered approach the two stages are pipelined in such a way that the simulation stage streams out the partial results of all simulation trajectories to the analysis stage that immediately produces a partial result. The simulation-analysis workflow is validated for performance and effectiveness of the online analysis in capturing biological systems behavior on a multicore platform and representative proof-of-concept biological systems. The exploited methodologies include pattern-based parallel programming and data streaming that provide key features to the software designers such as performance portability and efficient in-memory (big data management and movement. Two paradigmatic classes of biological systems exhibiting multistable and oscillatory behavior are used as a testbed.

On designing multicore-aware simulators for systems biology endowed with OnLine statistics.

Science.gov (United States)

Aldinucci, Marco; Calcagno, Cristina; Coppo, Mario; Damiani, Ferruccio; Drocco, Maurizio; Sciacca, Eva; Spinella, Salvatore; Torquati, Massimo; Troina, Angelo

2014-01-01

The paper arguments are on enabling methodologies for the design of a fully parallel, online, interactive tool aiming to support the bioinformatics scientists .In particular, the features of these methodologies, supported by the FastFlow parallel programming framework, are shown on a simulation tool to perform the modeling, the tuning, and the sensitivity analysis of stochastic biological models. A stochastic simulation needs thousands of independent simulation trajectories turning into big data that should be analysed by statistic and data mining tools. In the considered approach the two stages are pipelined in such a way that the simulation stage streams out the partial results of all simulation trajectories to the analysis stage that immediately produces a partial result. The simulation-analysis workflow is validated for performance and effectiveness of the online analysis in capturing biological systems behavior on a multicore platform and representative proof-of-concept biological systems. The exploited methodologies include pattern-based parallel programming and data streaming that provide key features to the software designers such as performance portability and efficient in-memory (big) data management and movement. Two paradigmatic classes of biological systems exhibiting multistable and oscillatory behavior are used as a testbed.

Improvement of photoluminescence properties and thermal stability of Y2.9Ce0.1Al5−xSixO12 phosphors with Si3N4 addition

International Nuclear Information System (INIS)

Zhang, Fangfang; Song, Kaixin; Jiang, Jun; Wu, Song; Zheng, Peng; Huang, Qingming; Xu, Junming; Qin, Huibin

2014-01-01

Highlights: • Y 2.9 Ce 0.1 Al 5−x Si x O 12 phosphors were prepared by solid-state reaction in reduced air ambience. • Si 4+ could be incorporated into the host lattice of Y 3 Al 5 O 12 through partial occupation of the Al 3+ sites. • Si 3 N 4 addition can improve photoluminescence efficiency and thermal stability of Y 3 Al 5 O 12 :Ce. - Abstract: A series of Si 3 N 4 doping Y 2.9 Ce 0.1 Al 5−x Si x O 12−3x/2 N 4x/3 phosphors were prepared by solid-state reaction in 95%N 2 –5%H 2 reduced air ambience. The XRD characteristics plus Rietveld refinement results shows that the as-sintered powders are unique crystal phase with the same crystal structure of Y 3 Al 5 O 12 (PDF No. 79-1891). The N element was not detected by the analysis of X-ray photoelectron spectroscopy (XPS) and energy dispersive X-ray spectrum (EDS). The photoluminescence spectra (PL and PLE) tests show that the exciting and emitting intensity of PLE and PL gradually increase due to the increase of Si 3 N 4 concentration. Meanwhile, the phosphorescence decay times are prolonged from 45 ns (x = 0) to 78 ns (x = 0.3), under the monitor of 530 nm wavelength. The thermoluminescence tests (TL) confirm the thermal stability of as-phosphors with Si 3 N 4 addition is much better than that of the pristine Y 2.9 Ce 0.1 Al 5 O 12 phosphors

The effect of dielectric constants on noble metal/semiconductor SERS enhancement: FDTD simulation and experiment validation of Ag/Ge and Ag/Si substrates.

Science.gov (United States)

Wang, Tao; Zhang, Zhaoshun; Liao, Fan; Cai, Qian; Li, Yanqing; Lee, Shuit-Tong; Shao, Mingwang

2014-02-11

The finite-difference time-domain (FDTD) method was employed to simulate the electric field distribution for noble metal (Au or Ag)/semiconductor (Ge or Si) substrates. The simulation showed that noble metal/Ge had stronger SERS enhancement than noble metal/Si, which was mainly attributed to the different dielectric constants of semiconductors. In order to verify the simulation, Ag nanoparticles with the diameter of ca. 40 nm were grown on Ge or Si wafer (Ag/Ge or Ag/Si) and employed as surface-enhanced Raman scattering substrates to detect analytes in solution. The experiment demonstrated that both the two substrates exhibited excellent performance in the low concentration detection of Rhodamine 6G. Besides, the enhancement factor (1.3 × 10(9)) and relative standard deviation values (less than 11%) of Ag/Ge substrate were both better than those of Ag/Si (2.9 × 10(7) and less than 15%, respectively), which was consistent with the FDTD simulation. Moreover, Ag nanoparticles were grown in-situ on Ge substrate, which kept the nanoparticles from aggregation in the detection. To data, Ag/Ge substrates showed the best performance for their sensitivity and uniformity among the noble metal/semiconductor ones.

NCBI nr-aa BLAST: CBRC-TTRU-01-1187 [SEVENS

Lifescience Database Archive (English)

Full Text Available CBRC-TTRU-01-1187 ref|YP_002970996.1| NADH dehydrogenase subunit 6 [Loligo opalesce...ns] gb|ACS12932.1| NADH dehydrogenase subunit 6 [Loligo opalescens] YP_002970996.1 0.12 23% ...

Multiaxial channeling study of disorder accumulation and recovery in gold-irradiated 6H-SiC

Energy Technology Data Exchange (ETDEWEB)

Jiang, W.; Weber, W. J.

2001-09-15

Single crystal 6H-SiC has been irradiated 60{sup o} off normal with 2 MeV Au{sup 2+} ions at 300 K to fluences of 0.029, 0.058, and 0.12 ions/nm2, which produced relatively low damage levels. The disorder profiles as a function of ion fluence on both the Si and C sublattices have been determined simultaneously in situ using Rutherford backscattering and nuclear reaction analysis with 0.94 MeV D{sup +} ions in channeling geometry along the <0001>, <1{bar 1}02>, and <10{bar 1}1> axes. Along the <0001> axis at these low doses, similar levels of Si and C disorder are observed, and the damage accumulation is linear with dose. However, along <1{bar 1}02> and <10{bar 1}1>, the disorder accumulation is larger and increases sublinearly with dose. Furthermore, a higher level of C disorder than Si disorder is observed along the <1{bar 1}02> and <10{bar 1}1> axes, which is consistent with a smaller threshold displacement energy on the C sublattice in SiC. The mean lattice displacement, perpendicular to each corresponding axis, ranges from 0.014 to 0.037 nm for this range of ion fluences. A steady accumulation of small displacements due to lattice stress is observed along the <10{bar 1}1> axis, and a detectable reduction of the lattice stress perpendicular to the <0001> axis occurs at 0.12 Au{sup 2+}/nm{sup 2}. There is only a moderate recovery of disorder, produced at and below 0.058 Au{sup 2+}/nm{sup 2}, during thermal annealing at 570 K; more significant recovery is observed for 0.12 Au{sup 2+}/nm{sup 2} along both the <0001> and <1{bar 1}02> axes.

Experimental study on the microstructure evolution of 55SiMnMo

International Nuclear Information System (INIS)

Zhao, Y Q; Liu, F F; Wang, X G; Qi, H Y; Ma, Z H

2015-01-01

Isothermal compressive experiments on 55SiMnMo steel were carried out with the Gleeble 3500 hot-simulation machine. High temperature flow stress-strain curves were measured over the deformation temperature range of 950 to 1050 °C and a strain rate from 0.01 to 10 s -1 . Experimental results revealed that the peak stress decreases with increasing deformation temperature and decreasing strain rate. In addition, when the deformation temperature T ≥ 1000°C, and the strain rate ≤ 0.1 s -1 , the dynamic recrystallization of 55SiMnMo steel occurs. The stress and strain constitutive models and austenite recrystallization model were constructed to form the foundation for studying the forming process of drill rods. (paper)

Simulations of Si-PIN photodiode based detectors for underground explosives enhanced by ammonium nitrate

Science.gov (United States)

Yücel, Mete; Bayrak, Ahmet; Yücel, Esra Barlas; Ozben, Cenap S.

2018-02-01

Massive Ammonium Nitrate (NH4-NO3) based explosives buried underground are commonly used in terror attacks. These explosives can be detected using neutron scattering method with some limitations. Simulations are very useful tools for designing a possible detection system for these kind of explosives. Geant4 simulations were used for generating neutrons at 14 MeV energy and tracking them through the scattering off the explosive embedded in soil. Si-PIN photodiodes were used as detector elements in the design for their low costs and simplicity for signal readout electronics. Various neutron-charge particle converters were applied on to the surface of the photodiodes to increase the detection efficiency. Si-PIN photodiodes coated with 6LiF provided the best result for a certain energy interval. Energy depositions in silicon detector from all secondary particles generated including photons were taken into account to generate a realistic background. Humidity of soil, one of the most important parameter for limiting the detection, was also studied.

The Stellar Imager (SI) project: a deep space UV/Optical Interferometer (UVOI) to observe the Universe at 0.1 milli-arcsec angular resolution

Science.gov (United States)

Carpenter, Kenneth G.; Schrijver, Carolus J.; Karovska, Margarita

2009-04-01

The Stellar Imager (SI) is a space-based, UV/Optical Interferometer (UVOI) designed to enable 0.1 milli-arcsecond (mas) spectral imaging of stellar surfaces and of the Universe in general. It will also probe via asteroseismology flows and structures in stellar interiors. SI’s science focuses on the role of magnetism in the Universe and will revolutionize our understanding of the formation of planetary systems, of the habitability and climatology of distant planets, and of many magneto-hydrodynamically controlled processes, such as accretion, in the Universe. The ultra-sharp images of SI will revolutionize our view of many dynamic astrophysical processes by transforming point sources into extended sources, and snapshots into evolving views. SI is a “Flagship and Landmark Discovery Mission” in the 2005 Heliophysics Roadmap and a potential implementation of the UVOI in the 2006 Science Program for NASA’s Astronomy and Physics Division. We present here the science goals of the SI Mission, a mission architecture that could meet those goals, and the technology development needed to enable this mission. Additional information on SI can be found at: http://hires.gsfc.nasa.gov/si/

Two-fluid (plasma-neutral) Extended-MHD simulations of spheromak configurations in the HIT-SI experiment with PSI-Tet

Science.gov (United States)

Sutherland, D. A.; Hansen, C. J.; Jarboe, T. R.

2017-10-01

A self-consistent, two-fluid (plasma-neutral) dynamic neutral model has been implemented into the 3-D, Extended-MHD code PSI-Tet. A monatomic, hydrogenic neutral fluid reacts with a plasma fluid through elastic scattering collisions and three inelastic collision reactions: electron-impact ionization, radiative recombination, and resonant charge-exchange. Density, momentum, and energy are evolved for both the plasma and neutral species. The implemented plasma-neutral model in PSI-Tet is being used to simulate decaying spheromak configurations in the HIT-SI experimental geometry, which is being compare to two-photon absorption laser induced fluorescence measurements (TALIF) made on the HIT-SI3 experiment. TALIF is used to measure the absolute density and temperature of monatomic deuterium atoms. Neutral densities on the order of 1015 m-3 and neutral temperatures between 0.6-1.7 eV were measured towards the end of decay of spheromak configurations with initial toroidal currents between 10-12 kA. Validation results between TALIF measurements and PSI-Tet simulations with the implemented dynamic neutral model will be presented. Additionally, preliminary dynamic neutral simulations of the HIT-SI/HIT-SI3 spheromak plasmas sustained with inductive helicity injection will be presented. Lastly, potential benefits of an expansion of the two-fluid model into a multi-fluid model that includes multiple neutral species and tracking of charge states will be discussed.

STOCHSIMGPU: parallel stochastic simulation for the Systems Biology Toolbox 2 for MATLAB.

Science.gov (United States)

Klingbeil, Guido; Erban, Radek; Giles, Mike; Maini, Philip K

2011-04-15

The importance of stochasticity in biological systems is becoming increasingly recognized and the computational cost of biologically realistic stochastic simulations urgently requires development of efficient software. We present a new software tool STOCHSIMGPU that exploits graphics processing units (GPUs) for parallel stochastic simulations of biological/chemical reaction systems and show that significant gains in efficiency can be made. It is integrated into MATLAB and works with the Systems Biology Toolbox 2 (SBTOOLBOX2) for MATLAB. The GPU-based parallel implementation of the Gillespie stochastic simulation algorithm (SSA), the logarithmic direct method (LDM) and the next reaction method (NRM) is approximately 85 times faster than the sequential implementation of the NRM on a central processing unit (CPU). Using our software does not require any changes to the user's models, since it acts as a direct replacement of the stochastic simulation software of the SBTOOLBOX2. The software is open source under the GPL v3 and available at http://www.maths.ox.ac.uk/cmb/STOCHSIMGPU. The web site also contains supplementary information. klingbeil@maths.ox.ac.uk Supplementary data are available at Bioinformatics online.

The Effects of 3D Computer Simulation on Biology Students' Achievement and Memory Retention

Science.gov (United States)

Elangovan, Tavasuria; Ismail, Zurida

2014-01-01

A quasi experimental study was conducted for six weeks to determine the effectiveness of two different 3D computer simulation based teaching methods, that is, realistic simulation and non-realistic simulation on Form Four Biology students' achievement and memory retention in Perak, Malaysia. A sample of 136 Form Four Biology students in Perak,…

Processing, Microstructure, and Mechanical Properties of Si3N4/SiC Nanocomposites from Precursor Derived Ceramics

Science.gov (United States)

Strong, Kevin Thomas, Jr.

Polymer-derived ceramics (PDCs) provides a unique processing route to create Si3N4/SiC composites. Silazane precursor polyureasilazane (Ceraset PURS20) produce's an amorphous SiCN ceramic at temperatures of ~800 -- 1200 °C and crystallizes to a Si3N4/SiC nanocomposite at temperatures >1500 °C. A novel processing technique was developed where crosslinked polymers were heat-treated in a reactive NH3 atmosphere to control the stoichiometry of the pyrolyzed SiCN ceramic. Using this technique processing parameters were established to produce SiCN powders that resulted in nanocomposites with approximately 0, 5, 10, 20 and 30 vol. % SiC. Lu2O3 was added to these powders as a sintering aid and were densified using Hot Pressing and Field Assisted Sintering. The sintered nanocomposites resulted in microstructures with multiple-length scales. These length-scales included Si3N4 (0.1 -- 5 microm), SiC (10 -- 100 nm) and the intergranular grain boundary phase (<1 nm). Using a combination of SEM and TEM it was possible to quantify some of these microstructural features such as the size and location of the SiC. Hardness and fracture toughness testing was conducted to compared the room temperature mechanical properties of these resultant microstructures. This research was intended to develop robust processing approaches that can be used to control the nanostructures of Si3N4/SiC composites with significant structural features at multiple length scales. The control of their features and the investigation of their affect on the properties of composites can be used to simulate the affect of the structure on properties. These models can then be used to design optimal microstructures for specific applications.

Modeling and simulation of 4H-SiC field effect transistor

Science.gov (United States)

Pedryc, A.; Martychowiec, A.; Kociubiński, A.

2017-08-01

This paper presents the technological issue of silicon carbide MOSFET design. Through the use of simulations of silicon carbide transistor, the influence of the different the technological parameters are described and discussed. MOSFET transistor was performed in Silvaco TCAD using technology elaborated at Lublin University of Technology. The most important parameters related to ion implantation, which was used in p-i-n photodiode technology. The electrical simulations were performed, transfer and output characteristics for different values of technological parameters were generated - influence of gate oxide thickness on threshold voltage and influence of channel length modulation were checked. The results of simulations as well as transfer and output characteristics allowed to select optimal parameters between expected device working and available technology - gate oxide thickness and transistor channel length were established. This work was in fact carried out to increase our understanding of the device characteristics so as to allow the design of new SiC circuits which could meet the stressful requirements of ultraviolet detector systems.

NCBI nr-aa BLAST: CBRC-TTRU-01-0414 [SEVENS

Lifescience Database Archive (English)

Full Text Available CBRC-TTRU-01-0414 ref|YP_015999.1| hypothetical protein MMOB3020 [Mycoplasma mobile... 163K] gb|AAT27788.1| hypothetical protein MMOB3020 [Mycoplasma mobile 163K] YP_015999.1 0.012 22% ...

NCBI nr-aa BLAST: CBRC-DNOV-01-2378 [SEVENS

Lifescience Database Archive (English)

Full Text Available CBRC-DNOV-01-2378 ref|YP_897819.1| competence protein [Francisella tularensis subsp.... novicida U112] gb|ABK89065.1| competence protein [Francisella tularensis subsp. novicida U112] YP_897819.1 0.12 24% ...

NCBI nr-aa BLAST: CBRC-TTRU-01-0604 [SEVENS

Lifescience Database Archive (English)

Full Text Available CBRC-TTRU-01-0604 ref|YP_506424.1| hypothetical protein NSE_0541 [Neorickettsia sen...netsu str. Miyayama] gb|ABD46153.1| putative membrane protein [Neorickettsia sennetsu str. Miyayama] YP_506424.1 0.012 26% ...

Formation of Si/Ge/Si heterostructures with quantum dots

International Nuclear Information System (INIS)

Zinov'ev, V.A.; Dvurechenskij, A.V.; Novikov, P.L.

2003-01-01

It is present the Monte Carlo simulation of epitaxial embedding of faceted three-dimensional Ge islands (quantum dots) in a Si matrix. Under a Si flux these islands expand and undergo a shape change (from pyramidal to drop-like shape). The main expansion occurs at initial stage of embedding in Si (deposition of 1-2 monolayers). This change is controlled by surface diffusion. The shape of island can be preserved when one uses the higher Si fluxes. The reason of island conservation lies in blocking of Ge surface diffusion [ru

Development of the Log-in Process and the Operation Process for the VHTR-SI Process Dynamic Simulation Code

International Nuclear Information System (INIS)

Chang, Jiwoon; Shin, Youngjoon; Kim, Jihwan; Lee, Kiyoung; Lee, Wonjae; Chang, Jonghwa; Youn, Cheung

2009-01-01

The VHTR-SI process is a hydrogen production technique by using Sulfur and Iodine. The SI process for a hydrogen production uses a high temperature (about 950 .deg. C) of the He gas which is a cooling material for an energy sources. The Korea Atomic Energy Research Institute Dynamic Simulation Code (KAERI DySCo) is an integration application software that simulates the dynamic behavior of the VHTR-SI process. A dynamic modeling is used to express and model the behavior of the software system over time. The dynamic modeling deals with the control flow of system, the interaction of objects and the order of actions in view of a time and transition by using a sequence diagram and a state transition diagram. In this paper, we present an user log-in process and an operation process for the KAERI DySCo by using a sequence diagram and a state transition diagram

Antioxidant migration resistance of SiOx layer in SiOx/PLA coated film.

Science.gov (United States)

Huang, Chongxing; Zhao, Yuan; Su, Hongxia; Bei, Ronghua

2018-02-01

As novel materials for food contact packaging, inorganic silicon oxide (SiO x ) films are high barrier property materials that have been developed rapidly and have attracted the attention of many manufacturers. For the safe use of SiO x films for food packaging it is vital to study the interaction between SiO x layers and food contaminants, as well as the function of a SiO x barrier layer in antioxidant migration resistance. In this study, we deposited a SiO x layer on polylactic acid (PLA)-based films to prepare SiO x /PLA coated films by plasma-enhanced chemical vapour deposition. Additionally, we compared PLA-based films and SiO x /PLA coated films in terms of the migration of different antioxidants (e.g. t-butylhydroquinone [TBHQ], butylated hydroxyanisole [BHA], and butylated hydroxytoluene [BHT]) via specific migration experiments and then investigated the effects of a SiO x layer on antioxidant migration under different conditions. The results indicate that antioxidant migration from SiO x /PLA coated films is similar to that for PLA-based films: with increase of temperature, decrease of food simulant polarity, and increase of single-sided contact time, the antioxidant migration rate and amount in SiO x /PLA coated films increase. The SiO x barrier layer significantly reduced the amount of migration of antioxidants with small and similar molecular weights and similar physical and chemical properties, while the degree of migration blocking was not significantly different among the studied antioxidants. However, the migration was affected by temperature and food simulant. Depending on the food simulants considered, the migration amount in SiO x /PLA coated films was reduced compared with that in PLA-based films by 42-46%, 44-47%, and 44-46% for TBHQ, BHA, and BHT, respectively.

Behavior of HfB2-SiC Materials in Simulated Re-Entry Environments

Science.gov (United States)

Ellerby, Don; Beckman, Sarah; Irby, Edward; Johnson, Sylvia M.; Gunsman, Michael; Gasch, Matthew; Ridge, Jerry; Martinez, Ed; Squire, Tom; Olejniczak, Joe

2003-01-01

The objectives of this research are to: 1) Investigate the oxidation/ablation behavior of HfB2/SiC materials in simulated re-entry environments; 2) Use the arc jet test results to define appropriate use environments for these materials for use in vehicle design. The parameters to be investigated include: surface temperature, stagnation pressure, duration, number of cycles, and thermal stresses.

Mechanism-Based FE Simulation of Tool Wear in Diamond Drilling of SiCp/Al Composites.

Science.gov (United States)

Xiang, Junfeng; Pang, Siqin; Xie, Lijing; Gao, Feinong; Hu, Xin; Yi, Jie; Hu, Fang

2018-02-07

The aim of this work is to analyze the micro mechanisms underlying the wear of macroscale tools during diamond machining of SiC p /Al6063 composites and to develop the mechanism-based diamond wear model in relation to the dominant wear behaviors. During drilling, high volume fraction SiC p /Al6063 composites containing Cu, the dominant wear mechanisms of diamond tool involve thermodynamically activated physicochemical wear due to diamond-graphite transformation catalyzed by Cu in air atmosphere and mechanically driven abrasive wear due to high-frequency scrape of hard SiC reinforcement on tool surface. An analytical diamond wear model, coupling Usui abrasive wear model and Arrhenius extended graphitization wear model was proposed and implemented through a user-defined subroutine for tool wear estimates. Tool wear estimate in diamond drilling of SiC p /Al6063 composites was achieved by incorporating the combined abrasive-chemical tool wear subroutine into the coupled thermomechanical FE model of 3D drilling. The developed drilling FE model for reproducing diamond tool wear was validated for feasibility and reliability by comparing numerically simulated tool wear morphology and experimentally observed results after drilling a hole using brazed polycrystalline diamond (PCD) and chemical vapor deposition (CVD) diamond coated tools. A fairly good agreement of experimental and simulated results in cutting forces, chip and tool wear morphologies demonstrates that the developed 3D drilling FE model, combined with a subroutine for diamond tool wear estimate can provide a more accurate analysis not only in cutting forces and chip shape but also in tool wear behavior during drilling SiC p /Al6063 composites. Once validated and calibrated, the developed diamond tool wear model in conjunction with other machining FE models can be easily extended to the investigation of tool wear evolution with various diamond tool geometries and other machining processes in cutting different

NCBI nr-aa BLAST: CBRC-PMAR-01-0111 [SEVENS

Lifescience Database Archive (English)

Full Text Available CBRC-PMAR-01-0111 ref|YP_001335322.1| putative oxidoreductase [Klebsiella pneumoniae subsp. pneumonia...e MGH 78578] gb|ABR77092.1| putative oxidoreductase [Klebsiella pneumoniae subsp. pneumoniae MGH 78578] YP_001335322.1 0.12 29% ...

STOCHSIMGPU: parallel stochastic simulation for the Systems Biology Toolbox 2 for MATLAB

KAUST Repository

Klingbeil, G.; Erban, R.; Giles, M.; Maini, P. K.

2011-01-01

Motivation: The importance of stochasticity in biological systems is becoming increasingly recognized and the computational cost of biologically realistic stochastic simulations urgently requires development of efficient software. We present a new

NCBI nr-aa BLAST: CBRC-TTRU-01-0037 [SEVENS

Lifescience Database Archive (English)

Full Text Available CBRC-TTRU-01-0037 ref|ZP_05092125.1| hypothetical protein CDSM653_1779 [Carboxydibrachium pacificum DSM... 12653] gb|EEB76026.1| hypothetical protein CDSM653_1779 [Carboxydibrachium pacificum DSM 12653] ZP_05092125.1 0.012 29% ...

First principles-based multiparadigm, multiscale strategy for simulating complex materials processes with applications to amorphous SiC films

Energy Technology Data Exchange (ETDEWEB)

Naserifar, Saber [Mork Family Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-1211 (United States); Materials and Process Simulation Center, California Institute of Technology, Pasadena, California 91125 (United States); Goddard, William A. [Materials and Process Simulation Center, California Institute of Technology, Pasadena, California 91125 (United States); Tsotsis, Theodore T.; Sahimi, Muhammad, E-mail: moe@usc.edu [Mork Family Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-1211 (United States)

2015-05-07

Progress has recently been made in developing reactive force fields to describe chemical reactions in systems too large for quantum mechanical (QM) methods. In particular, ReaxFF, a force field with parameters that are obtained solely from fitting QM reaction data, has been used to predict structures and properties of many materials. Important applications require, however, determination of the final structures produced by such complex processes as chemical vapor deposition, atomic layer deposition, and formation of ceramic films by pyrolysis of polymers. This requires the force field to properly describe the formation of other products of the process, in addition to yielding the final structure of the material. We describe a strategy for accomplishing this and present an example of its use for forming amorphous SiC films that have a wide variety of applications. Extensive reactive molecular dynamics (MD) simulations have been carried out to simulate the pyrolysis of hydridopolycarbosilane. The reaction products all agree with the experimental data. After removing the reaction products, the system is cooled down to room temperature at which it produces amorphous SiC film, for which the computed radial distribution function, x-ray diffraction pattern, and the equation of state describing the three main SiC polytypes agree with the data and with the QM calculations. Extensive MD simulations have also been carried out to compute other structural properties, as well the effective diffusivities of light gases in the amorphous SiC film.

Sub-barrier fusion of Si+Si systems

Science.gov (United States)

Colucci, G.; Montagnoli, G.; Stefanini, A. M.; Bourgin, D.; Čolović, P.; Corradi, L.; Courtin, S.; Faggian, M.; Fioretto, E.; Galtarossa, F.; Goasduff, A.; Haas, F.; Mazzocco, M.; Scarlassara, F.; Stefanini, C.; Strano, E.; Urbani, M.; Szilner, S.; Zhang, G. L.

2017-11-01

The near- and sub-barrier fusion excitation function has been measured for the system 30Si+30Si at the Laboratori Nazionali di Legnaro of INFN, using the 30Si beam of the XTU Tandem accelerator in the energy range 47 - 90 MeV. A set-up based on a beam electrostatic deflector was used for detecting fusion evaporation residues. The measured cross sections have been compared to previous data on 28Si+28Si and Coupled Channels (CC) calculations have been performed using M3Y+repulsion and Woods-Saxon potentials, where the lowlying 2+ and 3- excitations have been included. A weak imaginary potential was found to be necessary to reproduce the low energy 28Si+28Si data. This probably simulates the effect of the oblate deformation of this nucleus. On the contrary, 30Si is a spherical nucleus, 30Si+30Si is nicely fit by CC calculations and no imaginary potential is needed. For this system, no maximum shows up for the astrophysical S-factor so that we have no evidence for hindrance, as confirmed by the comparison with CC calculations. The logarithmic derivative of the two symmetric systems highlights their different low energy trend. A difference can also be noted in the two barrier distributions, where the high-energy peak present in 28Si+28Si is not observed for 30Si+30Si, probably due to the weaker couplings in last case.

Sub-barrier fusion of Si+Si systems

Directory of Open Access Journals (Sweden)

Colucci G.

2017-01-01

Full Text Available The near- and sub-barrier fusion excitation function has been measured for the system 30Si+30Si at the Laboratori Nazionali di Legnaro of INFN, using the 30Si beam of the XTU Tandem accelerator in the energy range 47 - 90 MeV. A set-up based on a beam electrostatic deflector was used for detecting fusion evaporation residues. The measured cross sections have been compared to previous data on 28Si+28Si and Coupled Channels (CC calculations have been performed using M3Y+repulsion and Woods-Saxon potentials, where the lowlying 2+ and 3− excitations have been included. A weak imaginary potential was found to be necessary to reproduce the low energy 28Si+28Si data. This probably simulates the effect of the oblate deformation of this nucleus. On the contrary, 30Si is a spherical nucleus, 30Si+30Si is nicely fit by CC calculations and no imaginary potential is needed. For this system, no maximum shows up for the astrophysical S-factor so that we have no evidence for hindrance, as confirmed by the comparison with CC calculations. The logarithmic derivative of the two symmetric systems highlights their different low energy trend. A difference can also be noted in the two barrier distributions, where the high-energy peak present in 28Si+28Si is not observed for 30Si+30Si, probably due to the weaker couplings in last case.

Guidelines for Reproducibly Building and Simulating Systems Biology Models.

Science.gov (United States)

Medley, J Kyle; Goldberg, Arthur P; Karr, Jonathan R

2016-10-01

Reproducibility is the cornerstone of the scientific method. However, currently, many systems biology models cannot easily be reproduced. This paper presents methods that address this problem. We analyzed the recent Mycoplasma genitalium whole-cell (WC) model to determine the requirements for reproducible modeling. We determined that reproducible modeling requires both repeatable model building and repeatable simulation. New standards and simulation software tools are needed to enhance and verify the reproducibility of modeling. New standards are needed to explicitly document every data source and assumption, and new deterministic parallel simulation tools are needed to quickly simulate large, complex models. We anticipate that these new standards and software will enable researchers to reproducibly build and simulate more complex models, including WC models.

A Novel CPU/GPU Simulation Environment for Large-Scale Biologically-Realistic Neural Modeling

Directory of Open Access Journals (Sweden)

Roger V Hoang

2013-10-01

Full Text Available Computational Neuroscience is an emerging field that provides unique opportunities to studycomplex brain structures through realistic neural simulations. However, as biological details are added tomodels, the execution time for the simulation becomes longer. Graphics Processing Units (GPUs are now being utilized to accelerate simulations due to their ability to perform computations in parallel. As such, they haveshown significant improvement in execution time compared to Central Processing Units (CPUs. Most neural simulators utilize either multiple CPUs or a single GPU for better performance, but still show limitations in execution time when biological details are not sacrificed. Therefore, we present a novel CPU/GPU simulation environment for large-scale biological networks,the NeoCortical Simulator version 6 (NCS6. NCS6 is a free, open-source, parallelizable, and scalable simula-tor, designed to run on clusters of multiple machines, potentially with high performance computing devicesin each of them. It has built-in leaky-integrate-and-fire (LIF and Izhikevich (IZH neuron models, but usersalso have the capability to design their own plug-in interface for different neuron types as desired. NCS6is currently able to simulate one million cells and 100 million synapses in quasi real time by distributing dataacross these heterogeneous clusters of CPUs and GPUs.

Impact of Amorphous SiO{sub 2} Nanoparticles on a Living Organism: Morphological, Behavioral, and Molecular Biology Implications

Energy Technology Data Exchange (ETDEWEB)

Ambrosone, Alfredo; Scotto di Vettimo, Maria Rosaria [Istituto di Cibernetica “Eduardo Caianiello”, Consiglio Nazionale delle Ricerche, Pozzuoli (Italy); Malvindi, Maria Ada [Center for Biomolecular Nanotechnologies@UNILE, Istituto Italiano di Tecnologia, Arnesano (Italy); Roopin, Modi; Levy, Oren [The Mina and Everard Goodman Faculty of Life Sciences, Bar Ilan University, Ramat Gan (Israel); Marchesano, Valentina [Istituto di Cibernetica “Eduardo Caianiello”, Consiglio Nazionale delle Ricerche, Pozzuoli (Italy); Pompa, Pier Paolo [Center for Biomolecular Nanotechnologies@UNILE, Istituto Italiano di Tecnologia, Arnesano (Italy); Tortiglione, Claudia; Tino, Angela, E-mail: a.tino@cib.na.cnr.it [Istituto di Cibernetica “Eduardo Caianiello”, Consiglio Nazionale delle Ricerche, Pozzuoli (Italy)

2014-09-29

It is generally accepted that silica (SiO{sub 2}) is not toxic. But the increasing use of silica nanoparticles (SiO{sub 2}NPs) in many different industrial fields has prompted the careful investigation of their toxicity in biological systems. In this report, we describe the effects elicited by SiO{sub 2}NPs on animal and cell physiology. Stable and monodisperse amorphous silica nanoparticles, 25 nM in diameter, were administered to living Hydra vulgaris (Cnidaria). The dose-related effects were defined by morphological and behavioral assays. The results revealed an all-or-nothing lethal toxicity with a rather high threshold (35 nM NPs) and a LT50 of 38 h. At sub lethal doses, the morphophysiological effects included: animal morphology alterations, paralysis of the gastric region, disorganization and depletion of tentacle specialized cells, increase of apoptotic and collapsed cells, and reduction of the epithelial cell proliferation rate. Transcriptome analysis (RNAseq) revealed 45 differentially expressed genes, mostly involved in stress response and cuticle renovation. Our results show that Hydra reacts to SiO{sub 2}NPs, is able to rebalance the animal homeostasis up to a relatively high doses of SiO{sub 2}NPs, and that the physiological modifications are transduced to gene expression modulation.

Study of low dimensional SiGe island on Si for potential visible Metal-Semiconductor-Metal photodetector

Science.gov (United States)

Rahim, Alhan Farhanah Abd; Zainal Badri, Nur'Amirah; Radzali, Rosfariza; Mahmood, Ainorkhilah

2017-11-01

In this paper, an investigation of design and simulation of silicon germanium (SiGe) islands on silicon (Si) was presented for potential visible metal semiconductor metal (MSM) photodetector. The characterization of the performances in term of the structural, optical and electrical properties of the structures was analyzed from the simulation results. The project involves simulation using SILVACO Technology Computer Aided Design (TCAD) tools. The different structures of the silicon germanium (SiGe) island on silicon substrate were created, which were large SiGe, small SiGe, combination SiGe and bulk Ge. All the structures were tested for potential Metal Semiconductor Metal (MSM) photodetector. The extracted data such as current versus voltage characteristic, current gain and spectral response were obtained using ATLAS SILVACO tools. The performance of SiGe island structures and bulk Ge on Si substrate as (MSM) photodetector was evaluated by photo and dark current-voltage (I-V) characteristics. It was found that SiGe islands exhibited higher energy band gap compared to bulk Ge. The SiGe islands current-voltage characteristics showed improved current gain compared to bulk Ge. Specifically the enhancement of the islands gain was contributed by the enhanced photo currents and lower dark currents. The spectral responses of the SiGe islands showed peak response at 590 nm (yellow) which is at the visible wavelength. This shows the feasibility of the SiGe islands to be utilized for visible photodetections.

Study of low dimensional SiGe island on Si for potential visible Metal-Semiconductor-Metal photodetector

Directory of Open Access Journals (Sweden)

Abd Rahim Alhan Farhanah

2017-01-01

Full Text Available In this paper, an investigation of design and simulation of silicon germanium (SiGe islands on silicon (Si was presented for potential visible metal semiconductor metal (MSM photodetector. The characterization of the performances in term of the structural, optical and electrical properties of the structures was analyzed from the simulation results. The project involves simulation using SILVACO Technology Computer Aided Design (TCAD tools. The different structures of the silicon germanium (SiGe island on silicon substrate were created, which were large SiGe, small SiGe, combination SiGe and bulk Ge. All the structures were tested for potential Metal Semiconductor Metal (MSM photodetector. The extracted data such as current versus voltage characteristic, current gain and spectral response were obtained using ATLAS SILVACO tools. The performance of SiGe island structures and bulk Ge on Si substrate as (MSM photodetector was evaluated by photo and dark current-voltage (I-V characteristics. It was found that SiGe islands exhibited higher energy band gap compared to bulk Ge. The SiGe islands current-voltage characteristics showed improved current gain compared to bulk Ge. Specifically the enhancement of the islands gain was contributed by the enhanced photo currents and lower dark currents. The spectral responses of the SiGe islands showed peak response at 590 nm (yellow which is at the visible wavelength. This shows the feasibility of the SiGe islands to be utilized for visible photodetections.

Simulation of injector dynamics during steady inductive helicity injection current drive in the HIT-SI experiment

Energy Technology Data Exchange (ETDEWEB)

Hansen, C., E-mail: hansec@uw.edu [PSI-Center, University of Washington, Seattle, Washington 98195 (United States); Columbia University, New York, New York 10027 (United States); Marklin, G. [PSI-Center, University of Washington, Seattle, Washington 98195 (United States); Victor, B. [HIT-SI Group, University of Washington, Seattle, Washington 98195 (United States); Akcay, C. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Jarboe, T. [HIT-SI Group, University of Washington, Seattle, Washington 98195 (United States); PSI-Center, University of Washington, Seattle, Washington 98195 (United States)

2015-04-15

We present simulations of inductive helicity injection in the Helicity Injected Torus with Steady Inductive helicity injection (HIT-SI) device that treats the entire plasma volume in a single dynamic MHD model. A new fully 3D numerical tool, the PSI-center TETrahedral mesh code, was developed that provides the geometric flexibility required for this investigation. Implementation of a zero-β Hall MHD model using PSI-TET will be presented including formulation of a new self-consistent magnetic boundary condition for the wall of the HIT-SI device. Results from simulations of HIT-SI are presented focusing on injector dynamics that are investigated numerically for the first time. Asymmetries in the plasma loading between the two helicity injectors and progression of field reversal in each injector are observed. Analysis indicates cross-coupling between injectors through confinement volume structures. Injector impedance is found to scale with toroidal current at fixed density, consistent with experimental observation. Comparison to experimental data with an injector drive frequency of 14.5 kHz shows good agreement with magnetic diagnostics. Global mode structures from Bi-Orthogonal decomposition agree well with experimental data for the first four modes.

NCBI nr-aa BLAST: CBRC-TTRU-01-1397 [SEVENS

Lifescience Database Archive (English)

Full Text Available CBRC-TTRU-01-1397 ref|YP_001881327.1| 3-phenylpropionic acid transporter [Shigella boy...dii CDC 3083-94] gb|ACD06299.1| 3-phenylpropionic acid transporter [Shigella boydii CDC 3083-94] YP_001881327.1 0.12 20% ...

Stochastic Simulation of Process Calculi for Biology

Directory of Open Access Journals (Sweden)

Andrew Phillips

2010-10-01

Full Text Available Biological systems typically involve large numbers of components with complex, highly parallel interactions and intrinsic stochasticity. To model this complexity, numerous programming languages based on process calculi have been developed, many of which are expressive enough to generate unbounded numbers of molecular species and reactions. As a result of this expressiveness, such calculi cannot rely on standard reaction-based simulation methods, which require fixed numbers of species and reactions. Rather than implementing custom stochastic simulation algorithms for each process calculus, we propose to use a generic abstract machine that can be instantiated to a range of process calculi and a range of reaction-based simulation algorithms. The abstract machine functions as a just-in-time compiler, which dynamically updates the set of possible reactions and chooses the next reaction in an iterative cycle. In this short paper we give a brief summary of the generic abstract machine, and show how it can be instantiated with the stochastic simulation algorithm known as Gillespie's Direct Method. We also discuss the wider implications of such an abstract machine, and outline how it can be used to simulate multiple calculi simultaneously within a common framework.

Some Fundamental Issues of Mathematical Simulation in Biology

Science.gov (United States)

Razzhevaikin, V. N.

2018-02-01

Some directions of simulation in biology leading to original formulations of mathematical problems are overviewed. Two of them are discussed in detail: the correct solvability of first-order linear equations with unbounded coefficients and the construction of a reaction-diffusion equation with nonlinear diffusion for a model of genetic wave propagation.

Theoretical calculation of performance enhancement in lattice-matched SiGeSn/GeSn p-channel tunneling field-effect transistor with type-II staggered tunneling junction

Science.gov (United States)

Wang, Hongjuan; Han, Genquan; Wang, Yibo; Peng, Yue; Liu, Yan; Zhang, Chunfu; Zhang, Jincheng; Hu, Shengdong; Hao, Yue

2016-04-01

In this work, a lattice-matched SiGeSn/GeSn heterostructure p-channel tunneling field-effect transistor (hetero-PTFET) with a type-II staggered tunneling junction (TJ) is investigated theoretically. Lattice matching and type-II band alignment at the Γ-point is obtained at the SiGeSn/GeSn interface by tuning Sn and Si compositions. A steeper subthreshold swing (SS) and a higher on state current (I ON) are demonstrated in SiGeSn/GeSn hetero-PTFET than in GeSn homo-PTFET. Si0.31Ge0.49Sn0.20/Ge0.88Sn0.12 hetero-PTFET achieves a 2.3-fold higher I ON than Ge0.88Sn0.12 homo-PTFET at V DD of 0.3 V. Hetero-PTFET achieves a more abrupt hole profile and a higher carrier density near TJ than the homo-PTFET, which contributes to the significantly enhanced band-to-band tunneling (BTBT) rate and tunneling current in hetero-PTFET.

Extreme IR absorption in group IV-SiGeSn core-shell nanowires

Science.gov (United States)

Attiaoui, Anis; Wirth, Stephan; Blanchard-Dionne, André-Pierre; Meunier, Michel; Hartmann, J. M.; Buca, Dan; Moutanabbir, Oussama

2018-06-01

Sn-containing Si and Ge (Ge1-y-xSixSny) alloys are an emerging family of semiconductors with the potential to impact group IV material-based devices. These semiconductors provide the ability to independently engineer both the lattice parameter and bandgap, which holds the premise to develop enhanced or novel photonic and electronic devices. With this perspective, we present detailed investigations of the influence of Ge1-y-xSixSny layers on the optical properties of Si and Ge based heterostructures and nanowires. We found that by adding a thin Ge1-y-xSixSny capping layer on Si or Ge greatly enhances light absorption especially in the near infrared range, leading to an increase in short-circuit current density. For the Ge1-y-xSixSny structure at thicknesses below 30 nm, a 14-fold increase in the short-circuit current is observed with respect to bare Si. This enhancement decreases by reducing the capping layer thickness. Conversely, decreasing the shell thickness was found to improve the short-circuit current in Si/Ge1-y-xSixSny and Ge/Ge1-y-xSixSny core/shell nanowires. The optical absorption becomes very important by increasing the Sn content. Moreover, by exploiting an optical antenna effect, these nanowires show extreme light absorption, reaching an enhancement factor, with respect to Si or Ge nanowires, on the order of 104 in Si/Ge0.84Si0.04Sn0.12 and 12 in Ge/Ge0.84Si0.04Sn0.12. Furthermore, we analyzed the optical response after the addition of a dielectric layer of Si3N4 to the Si/Ge1-y-xSixSny core-shell nanowire and found approximatively a 50% increase in the short-circuit current density for a dielectric layer of thickness equal to 45 nm and both a core radius and a shell thickness greater than 40 nm. The core-shell optical antenna benefits from a multiplication of enhancements contributed by leaky mode resonances in the semiconductor part and antireflection effects in the dielectric part.

Activation of stress-related signalling pathway in human cells upon SiO2 nanoparticles exposure as an early indicator of cytotoxicity

LENUS (Irish Health Repository)

Mohamed, Bashir M

2011-07-29

Abstract Background Nanomaterials such as SiO2 nanoparticles (SiO2NP) are finding increasing applications in the biomedical and biotechnological fields such as disease diagnostics, imaging, drug delivery, food, cosmetics and biosensors development. Thus, a mechanistic and systematic evaluation of the potential biological and toxic effects of SiO2NP becomes crucial in order to assess their complete safe applicability limits. Results In this study, human monocytic leukemia cell line THP-1 and human alveolar epithelial cell line A549 were exposed to a range of amorphous SiO2NP of various sizes and concentrations (0.01, 0.1 and 0.5 mg\\/ml). Key biological indicators of cellular functions including cell population density, cellular morphology, membrane permeability, lysosomal mass\\/pH and activation of transcription factor-2 (ATF-2) were evaluated utilizing quantitative high content screening (HCS) approach and biochemical techniques. Despite the use of extremely high nanoparticle concentrations, our findings showed a low degree of cytotoxicity within the panel of SiO2NP investigated. However, at these concentrations, we observed the onset of stress-related cellular response induced by SiO2NP. Interestingly, cells exposed to alumina-coated SiO2NP showed low level, and in some cases complete absence, of stress response and this was consistent up to the highest dose of 0.5 mg\\/ml. Conclusions The present study demonstrates and highlights the importance of subtle biological changes downstream of primary membrane and endocytosis-associated phenomena resulting from high dose SiO2NP exposure. Increased activation of transcription factors, such as ATF-2, was quantitatively assessed as a function of i) human cell line specific stress-response, ii) SiO2NP size and iii) concentration. Despite the low level of cytotoxicity detected for the amorphous SiO2NP investigated, these findings prompt an in-depth focus for future SiO2NP-cell\\/tissue investigations based on the combined

Activation of stress-related signalling pathway in human cells upon SiO2 nanoparticles exposure as an early indicator of cytotoxicity

Directory of Open Access Journals (Sweden)

Mohamed Bashir

2011-07-01

Full Text Available Abstract Background Nanomaterials such as SiO2 nanoparticles (SiO2NP are finding increasing applications in the biomedical and biotechnological fields such as disease diagnostics, imaging, drug delivery, food, cosmetics and biosensors development. Thus, a mechanistic and systematic evaluation of the potential biological and toxic effects of SiO2NP becomes crucial in order to assess their complete safe applicability limits. Results In this study, human monocytic leukemia cell line THP-1 and human alveolar epithelial cell line A549 were exposed to a range of amorphous SiO2NP of various sizes and concentrations (0.01, 0.1 and 0.5 mg/ml. Key biological indicators of cellular functions including cell population density, cellular morphology, membrane permeability, lysosomal mass/pH and activation of transcription factor-2 (ATF-2 were evaluated utilizing quantitative high content screening (HCS approach and biochemical techniques. Despite the use of extremely high nanoparticle concentrations, our findings showed a low degree of cytotoxicity within the panel of SiO2NP investigated. However, at these concentrations, we observed the onset of stress-related cellular response induced by SiO2NP. Interestingly, cells exposed to alumina-coated SiO2NP showed low level, and in some cases complete absence, of stress response and this was consistent up to the highest dose of 0.5 mg/ml. Conclusions The present study demonstrates and highlights the importance of subtle biological changes downstream of primary membrane and endocytosis-associated phenomena resulting from high dose SiO2NP exposure. Increased activation of transcription factors, such as ATF-2, was quantitatively assessed as a function of i human cell line specific stress-response, ii SiO2NP size and iii concentration. Despite the low level of cytotoxicity detected for the amorphous SiO2NP investigated, these findings prompt an in-depth focus for future SiO2NP-cell/tissue investigations based on the

Influence of the biological conditions in the surface magnetic properties of nanocrystalline CoFeCrSiB ribbons

International Nuclear Information System (INIS)

Fal-Miyar, V.; Cerdeira, M.A.; Garcia, J.A.; Tejedor, M.; Potatov, A.P.; Pierna, A.R.; Marzo, F.F.; Vara, G.

2007-01-01

In this paper the result of a study of the influence of the biological conditions on the surface magnetic properties of nanocrystalline Co 64.5 Fe 2.5 Cr 3 B 15 Si 15 ribbons are presented and discussed. After the biological treatment the results show that, in the longitudinal direction, there is a hardening of the magnetic behavior and in the transverse direction the magnetization takes place in two steps. The surface saturation magnetization decreases in the treated samples. These results are explained considering the presence of magnetic oxides and non-conducting oxides on the surface of the treated samples

Folate conjugated Mn{sub 3}O{sub 4}@SiO{sub 2} nanoparticles for targeted magnetic resonance imaging in vivo

Energy Technology Data Exchange (ETDEWEB)

Yang, Xinyi [The Education Ministry Key Lab of Resource Chemistry and Shanghai Key Laboratory of Rare Earth Functional Materials, Shanghai Normal University, Shanghai 200234 (China); Zhou, Zhiguo, E-mail: zgzhou@shnu.edu.cn [The Education Ministry Key Lab of Resource Chemistry and Shanghai Key Laboratory of Rare Earth Functional Materials, Shanghai Normal University, Shanghai 200234 (China); Wang, Li; Tang, Caizhi; Yang, Hong [The Education Ministry Key Lab of Resource Chemistry and Shanghai Key Laboratory of Rare Earth Functional Materials, Shanghai Normal University, Shanghai 200234 (China); Yang, Shiping, E-mail: shipingy@shnu.edu.cn [The Education Ministry Key Lab of Resource Chemistry and Shanghai Key Laboratory of Rare Earth Functional Materials, Shanghai Normal University, Shanghai 200234 (China); The Education Ministry Key Lab of Pesticide and Chemical Biology, South China Agricultural University, Guangzhou 510641 (China)

2014-09-15

Graphical abstract: The Mn{sub 3}O{sub 4}@SiO{sub 2}(PEG)–FA has been used as a T{sub 1}-MRI probe for in vivo. - Highlights: • The PEG and FA modified Mn{sub 3}O{sub 4}@SiO{sub 2} nanoparticles (Mn{sub 3}O{sub 4}@SiO{sub 2}–FA) were prepared. • Mn{sub 3}O{sub 4}@SiO{sub 2}–FA exhibited the good colloidal stability in the simulated biological medium. • Mn{sub 3}O{sub 4}@SiO{sub 2}–FA showed the targeting ability to HeLa cells overexpressed the FA receptor. • The T{sub 1}-weighted magnetic resonance (MR) imaging demonstrated the targeting ability of Mn{sub 3}O{sub 4}@SiO{sub 2}–FA in vivo tumor. - Abstract: The monodisperse silica-coated manganese oxide nanoparticles (Mn{sub 3}O{sub 4}@SiO{sub 2} NPs) were synthesized via the high temperature pyrolysis approach and were aminated through silanization. The amine-functionalized Mn{sub 3}O{sub 4} NPs enabled the covalent conjugation of hydrophilic methoxypoly(ethylene glycol) (PEG) and the targeting ligand of folate (FA) onto their surface. The formed PEG and FA modified Mn{sub 3}O{sub 4} NPs (Mn{sub 3}O{sub 4}@SiO{sub 2}(PEG)–FA) exhibited the good colloidal stability in the simulated biological medium and the targeting ability to HeLa cells overexpressed the FA receptor. The T{sub 1}-weighted magnetic resonance (MR) imaging and inductively coupled plasma atomic emission spectroscopy (ICP-AES) analysis of Mn{sub 3}O{sub 4}@SiO{sub 2}(PEG)–FA NPs further demonstrated their targeting ability in tumor.

Simulation, image reconstruction and SiPM characterisation for a novel endoscopic positron emission tomography detector

Energy Technology Data Exchange (ETDEWEB)

Zvolsky, Milan

2017-12-15

In the scope of the EndoTOFPET-US project, a novel multimodal device for ultrasound (US) endoscopy and positron emission tomography (PET) is being developed. The project aims at detecting and quantifying morphologic and functional biomarkers and developing new biomarkers for pancreas and prostate oncology. The detector system comprises a small detector probe mounted on an ultrasound endoscope and an external detector plate. The detection of the gamma rays is realised by scintillator crystals with Silicon Photomultiplier (SiPM) read-out. For the characterisation of over 4000 SiPMs for the external plate, an automatised measurement and data analysis procedure is established. The key properties of the SiPMs like breakdown voltage and dark count rate (DCR) are extracted. This knowledge is needed both as a quality assurance as well as for the calibration of the detector. The spread between minimum and maximum breakdown voltage within a SiPM array of 4 x 4 is at maximum 0.43 V with a mean of 0.15 V and an RMS of 0.06 V. This assures the optimal biasing of each SiPM at its individual operating voltage. The mean DCR amounts to 1.49 MHz with an RMS of 0.54 MHz and is thus well below the acceptable threshold of 3 MHz. Two spare modules from the external plate are re-measured and analysed several years after the module assembly, revealing a potential alteration of the SiPM noise properties over time. For the characterisation of SiPMs from different vendors, a software framework for the automatic extraction of performance parameters from pulseheight spectra, including a t of the entire spectrum, is developed and tested. In order to facilitate the modelling of the response of the EndoTOFPET-US detector, a framework is developed which is built around the Geant4-based simulation toolkit GAMOS, to simulate and reconstruct realistic imaging scenarios with this asymmetric PET detector. The simulation studies are used to compare different possible detector designs, guide the

Simulation, image reconstruction and SiPM characterisation for a novel endoscopic positron emission tomography detector

International Nuclear Information System (INIS)

Zvolsky, Milan

2017-12-01

In the scope of the EndoTOFPET-US project, a novel multimodal device for ultrasound (US) endoscopy and positron emission tomography (PET) is being developed. The project aims at detecting and quantifying morphologic and functional biomarkers and developing new biomarkers for pancreas and prostate oncology. The detector system comprises a small detector probe mounted on an ultrasound endoscope and an external detector plate. The detection of the gamma rays is realised by scintillator crystals with Silicon Photomultiplier (SiPM) read-out. For the characterisation of over 4000 SiPMs for the external plate, an automatised measurement and data analysis procedure is established. The key properties of the SiPMs like breakdown voltage and dark count rate (DCR) are extracted. This knowledge is needed both as a quality assurance as well as for the calibration of the detector. The spread between minimum and maximum breakdown voltage within a SiPM array of 4 x 4 is at maximum 0.43 V with a mean of 0.15 V and an RMS of 0.06 V. This assures the optimal biasing of each SiPM at its individual operating voltage. The mean DCR amounts to 1.49 MHz with an RMS of 0.54 MHz and is thus well below the acceptable threshold of 3 MHz. Two spare modules from the external plate are re-measured and analysed several years after the module assembly, revealing a potential alteration of the SiPM noise properties over time. For the characterisation of SiPMs from different vendors, a software framework for the automatic extraction of performance parameters from pulseheight spectra, including a t of the entire spectrum, is developed and tested. In order to facilitate the modelling of the response of the EndoTOFPET-US detector, a framework is developed which is built around the Geant4-based simulation toolkit GAMOS, to simulate and reconstruct realistic imaging scenarios with this asymmetric PET detector. The simulation studies are used to compare different possible detector designs, guide the

Study of hypercharge exchange processes 0-1/2+→1- 1/2+

International Nuclear Information System (INIS)

Albajar Molera, M. c.; Aguilar Beniter de Lugo, M.

1981-01-01

In this work we present a formalism for the reconstruction of the transitivity amplitudes governing the processes of the type 0-1/2+→1-1/2+. The formalism uses the information contained in the decay angular correlations and takes into account the existence of mixed spin configurations in the final state 0-1/2+→(0↓, 1-)1/2+ (Author) 10 refs

FDTD simulation study of size/gap and substrate-dependent SERS activity study of Au@SiO2 nanoparticles

International Nuclear Information System (INIS)

Yang Jing-Liang; Li Ruo-Ping; Han Jun-He; Huang Ming-Ju

2016-01-01

We use Au@SiO 2 nanoparticles (NPs) to systematically and comprehensively study the relationship between nanostructure and activity for surface-enhanced Raman scattering. Calculation simulation using the finite different time domain method verifies the experiment results and further reveals that the particle size and the distance between the NPs play vital roles in the surface-enhanced Raman scattering (SERS). Furthermore, in order to better simulate the real experiment, a Au@SiO 2 nanosphere dimer is placed on the silicon substrate and Au substrate, separately. The simulation results show that the large EM field coupling is due to the “hot spots” transferred from the NP–NP gaps to NP–surface of metal gaps, meanwhile, more “hot spots” occur. We also find that the signal intensity strongly depends on the position of the probe molecule. This work provides a better understanding of EM field enhancement. (paper)

Investigation of resistance switching in SiO x RRAM cells using a 3D multi-scale kinetic Monte Carlo simulator

Science.gov (United States)

Sadi, Toufik; Mehonic, Adnan; Montesi, Luca; Buckwell, Mark; Kenyon, Anthony; Asenov, Asen

2018-02-01

We employ an advanced three-dimensional (3D) electro-thermal simulator to explore the physics and potential of oxide-based resistive random-access memory (RRAM) cells. The physical simulation model has been developed recently, and couples a kinetic Monte Carlo study of electron and ionic transport to the self-heating phenomenon while accounting carefully for the physics of vacancy generation and recombination, and trapping mechanisms. The simulation framework successfully captures resistance switching, including the electroforming, set and reset processes, by modeling the dynamics of conductive filaments in the 3D space. This work focuses on the promising yet less studied RRAM structures based on silicon-rich silica (SiO x ) RRAMs. We explain the intrinsic nature of resistance switching of the SiO x layer, analyze the effect of self-heating on device performance, highlight the role of the initial vacancy distributions acting as precursors for switching, and also stress the importance of using 3D physics-based models to capture accurately the switching processes. The simulation work is backed by experimental studies. The simulator is useful for improving our understanding of the little-known physics of SiO x resistive memory devices, as well as other oxide-based RRAM systems (e.g. transition metal oxide RRAMs), offering design and optimization capabilities with regard to the reliability and variability of memory cells.

Investigation of resistance switching in SiO x RRAM cells using a 3D multi-scale kinetic Monte Carlo simulator.

Science.gov (United States)

Sadi, Toufik; Mehonic, Adnan; Montesi, Luca; Buckwell, Mark; Kenyon, Anthony; Asenov, Asen

2018-02-28

We employ an advanced three-dimensional (3D) electro-thermal simulator to explore the physics and potential of oxide-based resistive random-access memory (RRAM) cells. The physical simulation model has been developed recently, and couples a kinetic Monte Carlo study of electron and ionic transport to the self-heating phenomenon while accounting carefully for the physics of vacancy generation and recombination, and trapping mechanisms. The simulation framework successfully captures resistance switching, including the electroforming, set and reset processes, by modeling the dynamics of conductive filaments in the 3D space. This work focuses on the promising yet less studied RRAM structures based on silicon-rich silica (SiO x ) RRAMs. We explain the intrinsic nature of resistance switching of the SiO x layer, analyze the effect of self-heating on device performance, highlight the role of the initial vacancy distributions acting as precursors for switching, and also stress the importance of using 3D physics-based models to capture accurately the switching processes. The simulation work is backed by experimental studies. The simulator is useful for improving our understanding of the little-known physics of SiO x resistive memory devices, as well as other oxide-based RRAM systems (e.g. transition metal oxide RRAMs), offering design and optimization capabilities with regard to the reliability and variability of memory cells.

Hybrid Simulation of Duty Cycle Influences on Pulse Modulated RF SiH4/Ar Discharge

Science.gov (United States)

Wang, Xifeng; Song, Yuanhong; Zhao, Shuxia; Dai, Zhongling; Wang, Younian

2016-04-01

A one-dimensional fluid/Monte-Carlo (MC) hybrid model is developed to describe capacitively coupled SiH4/Ar discharge, in which the lower electrode is applied by a RF source and pulse modulated by a square-wave, to investigate the modulation effects of the pulse duty cycle on the discharge mechanism. An electron Monte Carlo simulation is used to calculate the electron energy distribution as a function of position and time phase. Rate coefficients in chemical reactions can then be obtained and transferred to the fluid model for the calculation of electron temperature and densities of different species, such as electrons, ions, and radicals. The simulation results show that, the electron energy distribution f(ɛ) is modulated evidently within a pulse cycle, with its tail extending to higher energies during the power-on period, while shrinking back promptly in the afterglow period. Thus, the rate coefficients could be controlled during the discharge, resulting in modulation of the species composition on the substrate compared with continuous excitation. Meanwhile, more negative ions, like SiH-3 and SiH-2, may escape to the electrodes owing to the collapse of ambipolar electric fields, which is beneficial to films deposition. Pulse modulation is thus expected to provide additional methods to customize the plasma densities and components. supported by National Natural Science Foundation of China (No. 11275038)

NCBI nr-aa BLAST: CBRC-TTRU-01-0981 [SEVENS

Lifescience Database Archive (English)

Full Text Available CBRC-TTRU-01-0981 ref|YP_002335503.1| ComEC/Rec2-related protein [Thermosipho africa...nus TCF52B] gb|ACJ76162.1| ComEC/Rec2-related protein [Thermosipho africanus TCF52B] YP_002335503.1 0.12 27% ...

Band alignment of atomic layer deposited SiO2 and HfSiO4 with (\\bar{2}01) β-Ga2O3

Science.gov (United States)

Carey, Patrick H., IV; Ren, Fan; Hays, David C.; Gila, Brent P.; Pearton, Stephen J.; Jang, Soohwan; Kuramata, Akito

2017-07-01

The valence band offset at both SiO2/β-Ga2O3 and HfSiO4/β-Ga2O3 heterointerfaces was measured using X-ray photoelectron spectroscopy. Both dielectrics were deposited by atomic layer deposition (ALD) onto single-crystal β-Ga2O3. The bandgaps of the materials were determined by reflection electron energy loss spectroscopy as 4.6 eV for Ga2O3, 8.7 eV for Al2O3 and 7.0 eV for HfSiO4. The valence band offset was determined to be 1.23 ± 0.20 eV (straddling gap, type I alignment) for ALD SiO2 on β-Ga2O3 and 0.02 ± 0.003 eV (also type I alignment) for HfSiO4. The respective conduction band offsets were 2.87 ± 0.70 eV for ALD SiO2 and 2.38 ± 0.50 eV for HfSiO4, respectively.

Emerging trends at the interface of chemistry and biology ...

Indian Academy of Sciences (India)

Administrator

Department of Organic Chemistry, Indian Institute of Science, Bangalore 560 012. 2. Molecular ... cussed. Methods for gene and siRNA delivery are presented along with challenges and opportunities for ..... to engineer mutations in the Fc region of an anti- ... potentially be applied to design immunogens and vaccines for ...

Nanogranular SiO{sub 2} proton gated silicon layer transistor mimicking biological synapses

Energy Technology Data Exchange (ETDEWEB)

Liu, M. J.; Huang, G. S., E-mail: gshuang@fudan.edu.cn, E-mail: pfeng@nju.edu.cn; Guo, Q. L.; Tian, Z. A.; Li, G. J.; Mei, Y. F. [Department of Materials Science, Fudan University, Shanghai 200433 (China); Feng, P., E-mail: gshuang@fudan.edu.cn, E-mail: pfeng@nju.edu.cn; Shao, F.; Wan, Q. [School of Electronic Science and Engineering and Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093 (China)

2016-06-20

Silicon on insulator (SOI)-based transistors gated by nanogranular SiO{sub 2} proton conducting electrolytes were fabricated to mimic synapse behaviors. This SOI-based device has both top proton gate and bottom buried oxide gate. Electrical transfer properties of top proton gate show hysteresis curves different from those of bottom gate, and therefore, excitatory post-synaptic current and paired pulse facilitation (PPF) behavior of biological synapses are mimicked. Moreover, we noticed that PPF index can be effectively tuned by the spike interval applied on the top proton gate. Synaptic behaviors and functions, like short-term memory, and its properties are also experimentally demonstrated in our device. Such SOI-based electronic synapses are promising for building neuromorphic systems.

siRNAmod: A database of experimentally validated chemically modified siRNAs.

Science.gov (United States)

Dar, Showkat Ahmad; Thakur, Anamika; Qureshi, Abid; Kumar, Manoj

2016-01-28

Small interfering RNA (siRNA) technology has vast potential for functional genomics and development of therapeutics. However, it faces many obstacles predominantly instability of siRNAs due to nuclease digestion and subsequently biologically short half-life. Chemical modifications in siRNAs provide means to overcome these shortcomings and improve their stability and potency. Despite enormous utility bioinformatics resource of these chemically modified siRNAs (cm-siRNAs) is lacking. Therefore, we have developed siRNAmod, a specialized databank for chemically modified siRNAs. Currently, our repository contains a total of 4894 chemically modified-siRNA sequences, comprising 128 unique chemical modifications on different positions with various permutations and combinations. It incorporates important information on siRNA sequence, chemical modification, their number and respective position, structure, simplified molecular input line entry system canonical (SMILES), efficacy of modified siRNA, target gene, cell line, experimental methods, reference etc. It is developed and hosted using Linux Apache MySQL PHP (LAMP) software bundle. Standard user-friendly browse, search facility and analysis tools are also integrated. It would assist in understanding the effect of chemical modifications and further development of stable and efficacious siRNAs for research as well as therapeutics. siRNAmod is freely available at: http://crdd.osdd.net/servers/sirnamod.

Research on a Micro-Nano Si/SiGe/Si Double Heterojunction Electro-Optic Modulation Structure

Directory of Open Access Journals (Sweden)

Song Feng

2018-01-01

Full Text Available The electro-optic modulator is a very important device in silicon photonics, which is responsible for the conversion of optical signals and electrical signals. For the electro-optic modulator, the carrier density of waveguide region is one of the key parameters. The traditional method of increasing carrier density is to increase the external modulation voltage, but this way will increase the modulation loss and also is not conducive to photonics integration. This paper presents a micro-nano Si/SiGe/Si double heterojunction electro-optic modulation structure. Based on the band theory of single heterojunction, the barrier heights are quantitatively calculated, and the carrier concentrations of heterojunction barrier are analyzed. The band and carrier injection characteristics of the double heterostructure structure are simulated, respectively, and the correctness of the theoretical analysis is demonstrated. The micro-nano Si/SiGe/Si double heterojunction electro-optic modulation is designed and tested, and comparison of testing results between the micro-nano Si/SiGe/Si double heterojunction micro-ring electro-optic modulation and the micro-nano Silicon-On-Insulator (SOI micro-ring electro-optic modulation, Free Spectrum Range, 3 dB Bandwidth, Q value, extinction ratio, and other parameters of the micro-nano Si/SiGe/Si double heterojunction micro-ring electro-optic modulation are better than others, and the modulation voltage and the modulation loss are lower.

Tribology of silicon-thin-film-coated SiC ceramics and the effects of high energy ion irradiation

International Nuclear Information System (INIS)

Kohzaki, Masao; Noda, Shoji; Doi, Harua

1990-01-01

The sliding friction coefficients and specific wear of SiC ceramics coated with a silicon thin film (Si/SiC) with and without subsequent Ar + irradiation against a diamond pin were measured with a pin-on-disk tester at room temperature in laboratory air of approximately 50% relative humidity without oil lubrication for 40 h. The friction coefficient of Ar + -irradiated Si/SiC was about 0.05 with a normal load of 9.8 N and remained almost unchanged during the 40 h test, while that of SiC increased from 0.04 to 0.12 during the test. The silicon deposition also reduced the specific wear of SiC to less than one tenth of that of the uncoated SiC. Effectively no wear was detected in Si/SiC irradiated to doses of over 2x10 16 ions cm -2 . (orig.)

SiO2-coated LiNi0.915Co0.075Al0.01O2 cathode material for rechargeable Li-ion batteries.

Science.gov (United States)

Zhou, Pengfei; Zhang, Zhen; Meng, Huanju; Lu, Yanying; Cao, Jun; Cheng, Fangyi; Tao, Zhanliang; Chen, Jun

2016-11-24

We reported a one-step dry coating of amorphous SiO 2 on spherical Ni-rich layered LiNi 0.915 Co 0.075 Al 0.01 O 2 (NCA) cathode materials. Combined characterization of XRD, EDS mapping, and TEM indicates that a SiO 2 layer with an average thickness of ∼50 nm was uniformly coated on the surface of NCA microspheres, without inducing any change of the phase structure and morphology. Electrochemical tests show that the 0.2 wt% SiO 2 -coated NCA material exhibits enhanced cyclability and rate properties, combining with better thermal stability compared with those of pristine NCA. For example, 0.2 wt% SiO 2 -coated NCA delivers a high specific capacity of 181.3 mA h g -1 with a capacity retention of 90.7% after 50 cycles at 1 C rate and 25 °C. Moreover, the capacity retention of this composite at 60 °C is 12.5% higher than that of pristine NCA at 1 C rate after 50 cycles. The effects of SiO 2 coating on the electrochemical performance of NCA are investigated by EIS, CV, and DSC tests, the improved performance is attributed to the surface coating layer of amorphous SiO 2 , which effectively suppresses side reactions between NCA and electrolytes, decreases the SEI layer resistance, and retards the growth of charge-transfer resistance, thus enhancing structural and cycling stability of NCA.

An optically controlled SiC lateral power transistor based on SiC/SiCGe super junction structure

International Nuclear Information System (INIS)

Pu Hongbin; Cao Lin; Ren Jie; Chen Zhiming; Nan Yagong

2010-01-01

An optically controlled SiC/SiCGe lateral power transistor based on superjunction structure has been proposed, in which n-SiCGe/p-SiC superjunction structure is employed to improve device figure of merit. Performance of the novel optically controlled power transistor was simulated using Silvaco Atlas tools, which has shown that the device has a very good response to the visible light and the near infrared light. The optoelectronic responsivities of the device at 0.5 μm and 0.7 μm are 330 mA/W and 76.2 mA/W at 2 V based voltage, respectively. (semiconductor devices)

An optically controlled SiC lateral power transistor based on SiC/SiCGe super junction structure

Energy Technology Data Exchange (ETDEWEB)

Pu Hongbin; Cao Lin; Ren Jie; Chen Zhiming; Nan Yagong, E-mail: puhongbin@xaut.edu.c [Xi' an University of Technology, Xi' an 710048 (China)

2010-04-15

An optically controlled SiC/SiCGe lateral power transistor based on superjunction structure has been proposed, in which n-SiCGe/p-SiC superjunction structure is employed to improve device figure of merit. Performance of the novel optically controlled power transistor was simulated using Silvaco Atlas tools, which has shown that the device has a very good response to the visible light and the near infrared light. The optoelectronic responsivities of the device at 0.5 {mu}m and 0.7 {mu}m are 330 mA/W and 76.2 mA/W at 2 V based voltage, respectively. (semiconductor devices)

Experiment data report for semiscale Mod-1 test S-01-1B (isothermal blowdown with core resistance simulator)

International Nuclear Information System (INIS)

Crapo, H.S.; Jensen, M.F.; Sackett, K.E.; Zender, S.N.

1975-05-01

Recorded test data are presented for Test S-01-1B of the semiscale Mod-1 isothermal blowdown test series. System hardware is representative of the LOFT design, selected using volumetric scaling methods, and initial conditions duplicate those identified for the LOFT nonnuclear tests. Test S-01-1B is a repeat of Test S-01-1 with the exception that simulated ECC was injected into the cold leg of the intact loop rather than into the inlet annulus of the downcomer. The principal objective of Test S-01-1B was to determine whether a different ECC injection would significantly alter the system response during the period of ECC injection. Test S-01-1B was conducted from an initial temperature of 541 0 F and an initial pressure of 1630 psig. A simulated intermediate size double-ended hot leg break (0.00145 ft 2 break area on each end) was used to investigate the system response to a slow de-pressurization transient. An orificed structure was used in the pressure vessel to simulate the LOFT core simulator. Following the blowdown portion of Test S-01-1B, coolant spray was introduced into the pressure suppression tank to determine the response of the pressure suppression system. (U.S.)

Simulated potential for enhanced performance of mechanically stacked hybrid III-V/Si tandem photovoltaic modules using DC-DC converters

Science.gov (United States)

MacAlpine, Sara; Bobela, David C.; Kurtz, Sarah; Lumb, Matthew P.; Schmieder, Kenneth J.; Moore, James E.; Walters, Robert J.; Alberi, Kirstin

2017-10-01

This work examines a tandem module design with GaInP2 mechanically stacked on top of crystalline Si, using a detailed photovoltaic (PV) system model to simulate four-terminal (4T) unconstrained and two-terminal voltage-matched (2T VM) parallel architectures. Module-level power electronics is proposed for the 2T VM module design to enhance its performance over the breadth of temperatures experienced by a typical PV installation. Annual, hourly simulations of various scenarios indicate that this design can reduce annual energy losses to ˜0.5% relative to the 4T module configuration. Consideration is given to both performance and practical design for building or ground mount installations, emphasizing compatibility with existing standard Si modules.

Biology Students Building Computer Simulations Using StarLogo TNG

Science.gov (United States)

Smith, V. Anne; Duncan, Ishbel

2011-01-01

Confidence is an important issue for biology students in handling computational concepts. This paper describes a practical in which honours-level bioscience students simulate complex animal behaviour using StarLogo TNG, a freely-available graphical programming environment. The practical consists of two sessions, the first of which guides students…

Simulation of a detector prototype with direct SiPM read-out and comparison with measurements

CERN Document Server

Kunsken, Andreas

2010-01-01

The features of a novel muon detection system are studied in this thesis with the help of GEANT4 simulations. The detector consists of a 10 cm×10 cm scintillator on whose top 3 mm×3 mm silicon photomultipliers are mounted. The scintillator may optionally be wrapped in a reflector. In the simulations various properties of the scintillator and the wrapping are varied like the scintillator thickness or the kind of wrapping and its reflectivity. Subsequently, the number of photons arriving at the SiPM is analyzed to determine the influence of the varied properties. Finally, the results of the simulations are compared to results that come from measurements with the detector setup.

In vivo degradation behavior and biological activity of some new Mg–Ca alloys with concentration's gradient of Si for bone grafts

Energy Technology Data Exchange (ETDEWEB)

Trincă, Lucia Carmen, E-mail: lctrinca@uaiasi.ro [“Ion Ionescu de la Brad” University of Agricultural Sciences and Veterinary Medicine, Faculty of Horticulture, Str. Aleea M. Sadoveanu, No. 3, 700490 Iasi (Romania); Fântânariu, Mircea, E-mail: mfantanariu@uaiasi.ro [“Ion Ionescu de la Brad” University of Agricultural Sciences and Veterinary Medicine, Faculty of Veterinary Medicine, Str. Aleea M. Sadoveanu, No. 8, 700489 Iasi (Romania); Solcan, Carmen, E-mail: csolcan@yahoo.com [“Ion Ionescu de la Brad” University of Agricultural Sciences and Veterinary Medicine, Faculty of Veterinary Medicine, Str. Aleea M. Sadoveanu, No. 8, 700489 Iasi (Romania); Trofin, Alina Elena, E-mail: aetrofin@yahoo.com [“Ion Ionescu de la Brad” University of Agricultural Sciences and Veterinary Medicine, Faculty of Horticulture, Str. Aleea M. Sadoveanu, No. 3, 700490 Iasi (Romania); Burtan, Liviu, E-mail: lburtan@uaiasi.ro [“Ion Ionescu de la Brad” University of Agricultural Sciences and Veterinary Medicine, Faculty of Veterinary Medicine, Str. Aleea M. Sadoveanu, No. 8, 700489 Iasi (Romania); Acatrinei, Dumitru Mihai, E-mail: dacatrinei@yahoo.com [“Ion Ionescu de la Brad” University of Agricultural Sciences and Veterinary Medicine, Faculty of Veterinary Medicine, Str. Aleea M. Sadoveanu, No. 8, 700489 Iasi (Romania); Stanciu, Sergiu, E-mail: sergiustanciu2003@yahoo.com [“Gheorghe Asachi” Technical University, Faculty of Materials Science and Engineering, Str. Prof. D. Mangeron, No. 67, 700050 Iasi (Romania); and others

2015-10-15

Highlights: • A Mg–Ca alloy with Si concentration gradient was obtained as bone graft material. • Degradation rate of the Mg–Ca–Si alloy was investigated by SEM and EDAX techniques. • Subcutaneous and tibiae implants in rats were monitored by Biochemical, histological, RX and CT investigations monitored implant's evolution. • Si concentration gradient decreased the alloy degradation rate during bone healing. - Abstract: Magnesium based alloys, especially Mg–Ca alloys, are biocompatible substrates with mechanical properties similar to those of bones. The biodegradable alloys of Mg–Ca provide sufficient mechanical strength in load carrying applications as opposed to biopolymers and also they avoid stress shielding and secondary surgery inherent with permanent metallic implant materials. The main issue facing a biodegradable Mg–Ca alloy is the fast degradation in the aggressive physiological environment of the body. The alloy's corrosion is proportional with the dissolution of the Mg in the body: the reaction with the water generates magnesium hydroxide and hydrogen. The accelerated corrosion will lead to early loss of the alloy's mechanical integrity. The degradation rate of an alloy can be improved mainly through tailoring the composition and by carrying out surface treatments. This research focuses on the ability to adjust degradation rate of Mg–Ca alloys by an original method and studies the biological activity of the resulted specimens. A new Mg–Ca alloy, with a Si gradient concentration from the surface to the interior of the material, was obtained. The surface morphology was investigated using scanning electron microscopy (VegaTescan LMH II, SE detector, 30 kV), X-ray diffraction (X’Pert equipment) and energy dispersive X-ray (Bruker EDS equipment). In vivo degradation behavior, biological compatibility and activity of Mg–Ca alloys with/without Si gradient concentration were studied with an implant model (subcutaneous

Residual stresses and mechanical properties of Si3N4/SiC multilayered composites with different SiC layers

International Nuclear Information System (INIS)

Liua, S.; Lia, Y.; Chena, P.; Lia, W.; Gaoa, S.; Zhang, B.; Yeb, F.

2017-01-01

The effect of residual stresses on the strength, toughness and work of fracture of Si3N4/SiC multilayered composites with different SiC layers has been investigated. It may be an effective way to design and optimize the mechanical properties of Si3N4/SiC multilayered composites by controlling the properties of SiC layers. Si3N4/SiC multilayered composites with different SiC layers were fabricated by aqueous tape casting and pressureless sintering. Residual stresses were calculated by using ANSYS simulation, the maximum values of tensile and compressive stresses were 553.2MPa and −552.1MPa, respectively. Step-like fracture was observed from the fracture surfaces. Fraction of delamination layers increased with the residual stress, which can improve the reliability of the materials. Tensile residual stress was benefit to improving toughness and work of fracture, but the strength of the composites decreased. [es

Anomalous dose rate effects in gamma irradiated SiGe heterojunction bipolar transistors

International Nuclear Information System (INIS)

Banerjee, G.; Niu, G.; Cressler, J.D.; Clark, S.D.; Palmer, M.J.; Ahlgren, D.C.

1999-01-01

Low dose rate (LDR) cobalt-60 (0.1 rad(Si)/s) gamma irradiated Silicon Germanium (SiGe) Heterojunction Bipolar Transistors (HBTs) were studied. Comparisons were made with devices irradiated with 300 rad(Si)/s gamma radiation to verify if LDR radiation is a serious radiation hardness assurance (RHA) issue. Almost no LDR degradation was observed in this technology up to 50 krad(Si). The assumption of the presence of two competing mechanisms is justified by experimental results. At low total dose (le20 krad), an anomalous base current decrease was observed which is attributed to self-annealing of deep-level traps to shallower levels. An increase in base current at larger total doses is attributed to radiation induced generation-recombination (G/R) center generation. Experiments on gate-assisted lateral PNP transistors and 2D numerical simulations using MEDICI were used to confirm these assertions

Thermal equation of state of (Mg 0.9Fe 0.1) 2SiO 4 olivine

Science.gov (United States)

Liu, Wei; Li, Baosheng

2006-08-01

In situ synchrotron X-ray diffraction measurements have been carried out on San Carlos olivine (Mg 0.9Fe 0.1) 2SiO 4 up to 8 GPa and 1073 K. Data analysis using the high-temperature Birch-Murnaghan (HTBM) equation of state (EoS) yields the temperature derivative of the bulk modulus (∂ KT/∂ T) P = -0.019 ± 0.002 GPa K -1. The thermal pressure (TH) approach gives αKT = 4.08 ± 0.10 × 10 -3 GPa K -1, from which (∂ KT/∂ T) P = -0.019 ± 0.001 GPa K -1 is derived. Fitting the present data to the Mie-Grüneisen-Debye (MGD) formalism, the Grüneisen parameter at ambient conditions γ0 is constrained to be 1.14 ± 0.02 with fixed volume dependence q = 1. Combining the present data with previous results on iron-bearing olivine and fitting to MGD EoS, we obtain γ0 = 1.11 ± 0.01 and q = 0.54 ± 0.36. In this study the thermoelastic parameters obtained from various approaches are in good agreement with one another and previous results.

Thermal Stability of siRNA Modulates Aptamer- conjugated siRNA Inhibition

Directory of Open Access Journals (Sweden)

Alexey Berezhnoy

2012-01-01

Full Text Available Oligonucleotide aptamer-mediated in vivo cell targeting of small interfering RNAs (siRNAs is emerging as a useful approach to enhance the efficacy and reduce the adverse effects resulting from siRNA-mediated genetic interference. A current main impediment in aptamer-mediated siRNA targeting is that the activity of the siRNA is often compromised when conjugated to an aptamer, often requiring labor intensive and time consuming design and testing of multiple configurations to identify a conjugate in which the siRNA activity has not been significantly reduced. Here, we show that the thermal stability of the siRNA is an important parameter of siRNA activity in its conjugated form, and that siRNAs with lower melting temperature (Tm are not or are minimally affected when conjugated to the 3′ end of 2′F-pyrimidine-modified aptamers. In addition, the configuration of the aptamer-siRNA conjugate retains activity comparable with the free siRNA duplex when the passenger strand is co-transcribed with the aptamer and 3′ overhangs on the passenger strand are removed. The approach described in this paper significantly reduces the time and effort necessary to screening siRNA sequences that retain biological activity upon aptamer conjugation, facilitating the process of identifying candidate aptamer-siRNA conjugates suitable for in vivo testing.

Photoelectric Properties of Si Doping Superlattice Structure on 6H-SiC(0001).

Science.gov (United States)

Li, Lianbi; Zang, Yuan; Hu, Jichao; Lin, Shenghuang; Chen, Zhiming

2017-05-25

The energy-band structure and visible photoelectric properties of a p/n-Si doping superlattice structure (DSL) on 6H-SiC were simulated by Silvaco-TCAD. The,n the Si-DSL structures with 40 nm-p-Si/50 nm-n-Si multilayers were successfully prepared on 6H-SiC(0001) Si-face by chemical vapor deposition. TEM characterizations of the p/n-Si DSL confirmed the epitaxial growth of the Si films with preferred orientation and the misfit dislocations with a Burgers vector of 1/3 at the p-Si/n-Si interface. The device had an obvious rectifying behavior, and the turn-on voltage was about 1.2 V. Under the visible illumination of 0.6 W/cm², the device demonstrated a significant photoelectric response with a photocurrent density of 2.1 mA/cm². Visible light operation of the Si-DSL/6H-SiC heterostructure was realized for the first time.

Photoelectric Properties of Si Doping Superlattice Structure on 6H-SiC(0001

Directory of Open Access Journals (Sweden)

Lianbi Li

2017-05-01

Full Text Available The energy-band structure and visible photoelectric properties of a p/n-Si doping superlattice structure (DSL on 6H-SiC were simulated by Silvaco-TCAD. The,n the Si-DSL structures with 40 nm-p-Si/50 nm-n-Si multilayers were successfully prepared on 6H-SiC(0001 Si-face by chemical vapor deposition. TEM characterizations of the p/n-Si DSL confirmed the epitaxial growth of the Si films with preferred orientation and the misfit dislocations with a Burgers vector of 1/3 <21-1> at the p-Si/n-Si interface. The device had an obvious rectifying behavior, and the turn-on voltage was about 1.2 V. Under the visible illumination of 0.6 W/cm2, the device demonstrated a significant photoelectric response with a photocurrent density of 2.1 mA/cm2. Visible light operation of the Si-DSL/6H-SiC heterostructure was realized for the first time.

Construction and Biological Evaluation of a Novel Integrin ανβ3-Specific Carrier for Targeted siRNA Delivery In Vitro

Directory of Open Access Journals (Sweden)

Xueqi Chen

2017-02-01

Full Text Available (1 Background: The great potential of RNA interference (RNAi-based gene therapy is premised on the effective delivery of small interfering RNAs (siRNAs to target tissues and cells. Hence, we aimed at developing and examining a novel integrin αvβ3-specific delivery carrier for targeted transfection of siRNA to malignant tumor cells; (2 Methods: Arginine-glycine-aspartate motif (RGD was adopted as a tissue target for specific recognition of integrin αvβ3. To enable siRNA binding, a chimeric peptide was synthesized by adding nonamer arginine residues (9R at the carboxy terminus of cyclic-RGD dimer, designated as c(RGD2-9R. The efficiency of 9R peptide transferring siRNA was biologically evaluated in vitro by flow cytometry, confocal microscopy, and Western blot; (3 Results: An optimal 10:1 molar ratio of c(RGD2-9R to siRNA was confirmed by the electrophoresis on agarose gels. Both the flow cytometry and confocal microscopy results testified that transfection of c(RGD2-9R as an siRNA delivery carrier was obviously higher than the naked-siRNA group. The results of Western blot demonstrated that these 9R peptides were able to transduce siRNA to HepG2 cells in vitro, resulting in efficient gene silencing; and (4 Conclusion: The chimeric peptide of c(RGD2-9R can be developed as an effective siRNA delivery carrier and shows potential as a new strategy for RNAi-based gene therapy.

Visualization in simulation tools: requirements and a tool specification to support the teaching of dynamic biological processes.

Science.gov (United States)

Jørgensen, Katarina M; Haddow, Pauline C

2011-08-01

Simulation tools are playing an increasingly important role behind advances in the field of systems biology. However, the current generation of biological science students has either little or no experience with such tools. As such, this educational glitch is limiting both the potential use of such tools as well as the potential for tighter cooperation between the designers and users. Although some simulation tool producers encourage their use in teaching, little attempt has hitherto been made to analyze and discuss their suitability as an educational tool for noncomputing science students. In general, today's simulation tools assume that the user has a stronger mathematical and computing background than that which is found in most biological science curricula, thus making the introduction of such tools a considerable pedagogical challenge. This paper provides an evaluation of the pedagogical attributes of existing simulation tools for cell signal transduction based on Cognitive Load theory. Further, design recommendations for an improved educational simulation tool are provided. The study is based on simulation tools for cell signal transduction. However, the discussions are relevant to a broader biological simulation tool set.

Si/SiC heterojunction optically controlled transistor with charge compensation layer

Directory of Open Access Journals (Sweden)

Pu Hongbin

2016-01-01

Full Text Available A novel n-SiC/p-Si/n-Si optically controlled transistor with charge compensation layer has been studied in the paper. The performance of the device is simulated using Silvaco Atlas tools, which indicates excellent performances of the device in both blocking state and conducting state. The device also has a good switching characteristic with 0.54μs as rising time and 0.66μs as falling time. With the charge compensation layer, the breakdown voltage and the spectral response intensity of the device are improved by 90V and 33A/W respectively. Compared with optically controlled transistor without charge compensation layer, the n-SiC/p-Si/n-Si optically controlled transistor with charge compensation layer has a better performance.

Program NAJOCSC and space charge effect simulation in C01

International Nuclear Information System (INIS)

Tang, J.Y.; Chabert, A.; Baron, E.

1999-01-01

During the beam tests of the THI project at GANIL, it was found it difficult to increase the beam power above 2 kW at CSS2 extraction. The space charge effect (abbreviated as S.C. effect) in cyclotrons is suspected to play some role in the phenomenon, especially the longitudinal S.C. one and also the coupling between longitudinal and radial motions. The injector cyclotron C01 is studied, and the role played by the S.C. effect in this cyclotron in the THI case is investigated by a simulation method. (K.A.)

Design and performance of a gamma-ray diffractometer at 0.12A

International Nuclear Information System (INIS)

Alkire, R.W.

1982-01-01

Gamma-ray diffractometry is a relatively new field in which radioisotopes are used to provide highly penetrating, monoenergetic radiation for diffraction experiments. The first part of this work details the design of a gamma-ray diffractometer using the 103 keV gamma-rays from 153 Sm (γ = 0.12A). Complete description of source material, transport cask, full circle, detector and associated electronics is presented along with alignment and testing procedures. The second part of this work covers theoretical advantages and disadvantages afforded by 0.12A radiation, and experimental capabilities are tested by determining the absolute structure factor for the forbidden 222 reflection in silicon. F(222) was determined to be 1.456 +- 0.008 which is in excellent agreement with previous studies but with a reduction in error of between two and ten. General applications of 0.12A gamma radiation are also explored, including mosaic characterizations, structural phase transformations, electron density mapping, powder diffraction and experiments in special environmental devices

An orange emitting phosphor Lu2−xCaMg2Si2.9Ti0.1O12:xCe with pure garnet phase for warm white LEDs

International Nuclear Information System (INIS)

Chu, Yaoqing; Zhang, Qinghong; Xu, Jiayue; Li, Yaogang; Wang, Hongzhi

2015-01-01

A new silicate garnet phosphor, Lu 2−x CaMg 2 Si 2.9 Ti 0.1 O 12 :xCe was synthesized by a high temperature solid-state reaction under reductive atmosphere. X-ray diffraction (XRD) showed that the powder was pure garnet phase. The emission and excitation spectrum indicated that the Lu 2−x CaMg 2 Si 2.9 Ti 0.1 O 12 :xCe phosphors could absorb blue light in the spectral range of 400–550 nm efficiently and exhibit bright yellow–orange emission in the range of 520–750 nm. With the increase of Ce 3+ concentration, the emission band of Ce 3+ showed a red shift. Interestingly, the concentration quenching occurred when the Ce 3+ concentration exceeded 4 mol%. The temperature-dependent luminescent properties of the phosphors were discussed and the Lu 1.96 CaMg 2 Si 2.9 Ti 0.1 O 12 :0.04Ce phosphors showed good performances in color temperature (2430 K) and potential applications for warm white LEDs. - Graphical Abstract: This image shows that the phosphor of Lu 1.96 CaMg 2 Si 2.9 Ti 0.1 O 12 :0.04Ce can generate a uniform yellow tint under natural light illumination and emit orange–red light when excited by blue light. With a fixed 467 nm emission light, warm white light can be produced by this phosphor, which indicates that the phosphor is potentially applicable in warm white light emitting diodes based on GaN chips. - Highlights: • A new silicate garnet phosphor was synthesized by solid-state method. • Secondary phases can be avoided when a small amount of Si 4+ were replaced by Ti 4+ . • A broad emission band of Ce 3+ in the phosphors was described. • The phosphors are potentially applicable in warm white light emitting diodes

Low dose irradiation performance of SiC interphase SiC/SiC composites

International Nuclear Information System (INIS)

Snead, L.L.; Lowden, R.A.; Strizak, J.; More, K.L.; Eatherly, W.S.; Bailey, J.; Williams, A.M.; Osborne, M.C.; Shinavski, R.J.

1998-01-01

Reduced oxygen Hi-Nicalon fiber reinforced composite SiC materials were densified with a chemically vapor infiltrated (CVI) silicon carbide (SiC) matrix and interphases of either 'porous' SiC or multilayer SiC and irradiated to a neutron fluence of 1.1 x 10 25 n m -2 (E>0.1 MeV) in the temperature range of 260 to 1060 C. The unirradiated properties of these composites are superior to previously studied ceramic grade Nicalon fiber reinforced/carbon interphase materials. Negligible reduction in the macroscopic matrix microcracking stress was observed after irradiation for the multilayer SiC interphase material and a slight reduction in matrix microcracking stress was observed for the composite with porous SiC interphase. The reduction in strength for the porous SiC interfacial material is greatest for the highest irradiation temperature. The ultimate fracture stress (in four point bending) following irradiation for the multilayer SiC and porous SiC interphase materials was reduced by 15% and 30%, respectively, which is an improvement over the 40% reduction suffered by irradiated ceramic grade Nicalon fiber materials fabricated in a similar fashion, though with a carbon interphase. The degradation of the mechanical properties of these composites is analyzed by comparison with the irradiation behavior of bare Hi-Nicalon fiber and Morton chemically vapor deposited (CVD) SiC. It is concluded that the degradation of these composites, as with the previous generation ceramic grade Nicalon fiber materials, is dominated by interfacial effects, though the overall degradation of fiber and hence composite is reduced for the newer low-oxygen fiber. (orig.)

Cluster induced chemistry at solid surfaces: Molecular dynamics simulations of keV C60 bombardment of Si

International Nuclear Information System (INIS)

Krantzman, K.D.; Kingsbury, D.B.; Garrison, Barbara J.

2007-01-01

Molecular dynamics simulations of the sputtering of Si by keV C 60 bombardment have been performed as a function of incident kinetic energy at two incident angles, normal incidence and 45 deg. Nearly all of the C atoms remain embedded in the surface after bombardment because the C atoms from the projectile form strong covalent bonds with the Si atoms in the target. At low incident kinetic energies, the sputtering yield of Si atoms is small and there is a net deposition of solid material from the projectile atoms. As the incident kinetic energy is increased, the yield of sputtered Si atoms increases. A transition occurs in which the yield of sputtered Si atoms exceeds the number of C atoms deposited, and there is a net erosion of the solid material. A significantly higher sputter yield is observed at an incident angle of 45 deg. than at normal incidence, and therefore, the energy value is lower for the transition from net deposition to net erosion. This phenomenon is discussed in terms of the depth distribution of deposited energy, which is found to be shallower at an incident angle of 45 deg

A Calculus for Modelling, Simulating and Analysing Compartmentalized Biological Systems

DEFF Research Database (Denmark)

Mardare, Radu Iulian; Ihekwaba, Adoha

2007-01-01

A. Ihekwaba, R. Mardare. A Calculus for Modelling, Simulating and Analysing Compartmentalized Biological Systems. Case study: NFkB system. In Proc. of International Conference of Computational Methods in Sciences and Engineering (ICCMSE), American Institute of Physics, AIP Proceedings, N 2...

Molecular dynamics simulations of the effect of shape and size of SiO2 nanoparticle dopants on insulation paper cellulose

Directory of Open Access Journals (Sweden)

Chao Tang

2016-12-01

Full Text Available The effect of silica nanoparticle (Nano-SiO2 dopants on insulation paper cellulose, and the interaction between them, was investigated using molecular dynamics simulations. The mechanical properties, interactions, and cellulose-Nano-SiO2 compatibility of composite models of cellulose doped with Nano-SiO2 were studied. An increase in Nano-SiO2 size leads to a decrease in the mechanical properties, and a decrease in the anti-deformation ability of the composite model. The binding energies and bond energies per surface area of the composite models indicate that the bonding interaction between spherical Nano-SiO2 and cellulose is the strongest among the four different Nano-SiO2 shapes that are investigated. The solubilities of the four composite models decrease with increasing Nano-SiO2 size, and the difference between the solubility of pure cellulose and those of the composite models increases with increasing Nano-SiO2 size. Good doping effects with the highest cellulose-Nano-SiO2 compatibility are achieved for the cellulose model doped with spherical Nano-SiO2 of 10 Å in diameter. These findings provide a method for modifying the mechanical properties of cellulose by doping, perhaps for improving insulation dielectrics.

Magnetodielectric effect in (1 - x)(Ba0.88Ca0.12)(Ti0.88Zr0.12)O3 - xCoFe2O4

Science.gov (United States)

Pan, Pengfei; Tao, Jin; Ma, Fusheng; Zhang, Ning

2018-05-01

Magnetodielectric (MD) materials have attracted considerable attention due to their intriguing physics and potential future applications. In this work, polycrystalline (1 - x)(Ba0.88Ca0.12)(Ti0.88Zr0.12)O3 - xCoFe2O4 (x = 0.10, 0.20, 0.30, 0.40) ceramic have been prepared via sol-gel method. The room temperature magnetic and ferroelectric behaviors of the synthesized composites were investigated. For the composite with x = 0.40, a MD ratio of 5.37% was achieved under a magnetic field of 1.5 T at f = 1 kHz. The measured "butterfly hysteresis" MD curves exhibit an obvious dielectric anomaly. Theoretical analysis suggests that the observed magnetodielectric effect is attributed to the magnetoresistance effect and magnetoelectric coupling.

Simulation on scattering features of biological tissue based on generated refractive-index model

International Nuclear Information System (INIS)

Wang Baoyong; Ding Zhihua

2011-01-01

Important information on morphology of biological tissue can be deduced from elastic scattering spectra, and their analyses are based on the known refractive-index model of tissue. In this paper, a new numerical refractive-index model is put forward, and its scattering properties are intensively studied. Spectral decomposition [1] is a widely used method to generate random medium in geology, but it is never used in biology. Biological tissue is different from geology in the sense of random medium. Autocorrelation function describe almost all of features in geology, but biological tissue is not as random as geology, its structure is regular in the sense of fractal geometry [2] , and fractal dimension can be used to describe its regularity under random. Firstly scattering theories of this fractal media are reviewed. Secondly the detailed generation process of refractive-index is presented. Finally the scattering features are simulated in FDTD (Finite Difference Time Domain) Solutions software. From the simulation results, we find that autocorrelation length and fractal dimension controls scattering feature of biological tissue.

Experimental characterization and Monte Carlo simulation of Si(Li) detector efficiency by radioactive sources and PIXE

Energy Technology Data Exchange (ETDEWEB)

Mesradi, M. [Institut Pluridisciplinaire Hubert-Curien, UMR 7178 CNRS/IN2P3 et Universite Louis Pasteur, 23 rue du Loess, BP 28, F-67037 Strasbourg Cedex 2 (France); Elanique, A. [Departement de Physique, FS/BP 8106, Universite Ibn Zohr, Agadir, Maroc (Morocco); Nourreddine, A. [Institut Pluridisciplinaire Hubert-Curien, UMR 7178 CNRS/IN2P3 et Universite Louis Pasteur, 23 rue du Loess, BP 28, F-67037 Strasbourg Cedex 2 (France)], E-mail: abdelmjid.nourreddine@ires.in2p3.fr; Pape, A.; Raiser, D.; Sellam, A. [Institut Pluridisciplinaire Hubert-Curien, UMR 7178 CNRS/IN2P3 et Universite Louis Pasteur, 23 rue du Loess, BP 28, F-67037 Strasbourg Cedex 2 (France)

2008-06-15

This work relates to the study and characterization of the response function of an X-ray spectrometry system. The intrinsic efficiency of a Si(Li) detector has been simulated with the Monte Carlo codes MCNP and GEANT4 in the photon energy range of 2.6-59.5 keV. After finding it necessary to take a radiograph of the detector inside its cryostat to learn the correct dimensions, agreement within 10% between the simulations and experimental measurements with several point-like sources and PIXE results was obtained.

Studies on the polycrystalline silicon/SiO2 stack as front surface field for IBC solar cells by two-dimensional simulations

International Nuclear Information System (INIS)

Jiang Shuai; Jia Rui; Tao Ke; Hou Caixia; Sun Hengchao; Li Yongtao; Yu Zhiyong

2017-01-01

Interdigitated back contact (IBC) solar cells can achieve a very high efficiency due to its less optical losses. But IBC solar cells demand for high quality passivation of the front surface. In this paper, a polycrystalline silicon/SiO 2 stack structure as front surface field to passivate the front surface of IBC solar cells is proposed. The passivation quality of this structure is investigated by two dimensional simulations. Polycrystalline silicon layer and SiO 2 layer are optimized to get the best passivation quality of the IBC solar cell. Simulation results indicate that the doping level of polycrystalline silicon should be high enough to allow a very thin polycrystalline silicon layer to ensure an effective passivation and small optical losses at the same time. The thickness of SiO 2 should be neither too thin nor too thick, and the optimal thickness is 1.2 nm. Furthermore, the lateral transport properties of electrons are investigated, and the simulation results indicate that a high doping level and conductivity of polycrystalline silicon can improve the lateral transportation of electrons and then the cell performance. (paper)

Ternary alloying study of MoSi2

International Nuclear Information System (INIS)

Yi, D.; Li, C.; Akselsen, O.M.; Ulvensoen, J.H.

1998-01-01

Ternary alloying of MoSi 2 with adding a series of transition elements was investigated by X-ray diffraction (XRD), scanning electron microscopy, transmission electron microscopy (TEM), and energy dispersive spectroscopy (EDS). Iron, Co, Ni, Cr, V, Ti, and Nb were chosen as alloying elements according to the AB 2 structure map or the atomic size factor. The studied MoSi 2 base alloys were prepared by the arc melting process from high-purity metals. The EDS analysis showed that Fe, Co, and Ni have no solid solubility in as-cast MoSi 2 , while Cr, V, Ti, and Nb exhibit limited solid solubilities, which were determined to be 1.4 ± 0.7, 1.4 ± 0.4, 0.4 ± 0.1, and 0.8 ± 0.1. Microstructural characterization indicated that Mo-Si-M VIII (M VIII = Fe, Co, Ni) and Mo-Si-Cr alloys have a two-phase as-cast microstructure, i.e., MoSi 2 matrix and the second-phase FeSi 2 , CoSi, NiSi 2 , and CrSi 2 , respectively. In as-cast Mo-Si-V, Mo-Si-Ti, and Mo-Si-Nb alloys, besides MoSi 2 and C40 phases, the third phases were observed, which have been identified to be (Mo, V) 5 Si 3 , TiSi 2 , and (Mo, Nb) 5 Si 3

A feasibility study on SiC optoinjected CCD with buried channels

International Nuclear Information System (INIS)

Ye Na; Chen Zhiming; Xie Longfei

2013-01-01

An SiC optoinjected charge-coupled device with buried channels (BCCD) is designed for the detection of ultraviolet light (UV), and its feasibility is studied by means of Silvaco numerical simulation software. Charge storage and transfer characteristics of the BCCD can be conformed by simulation results. The buried channel design is a key point to realize the high sensitivity of the device. The channel mobility of electrons in the 6H-SiC BCCD can be changed from 47 to 200 cm 2 /(V.s) when the channel is replaced from surface to the subsurface of 0.2 μm. With the optimized device parameters, the density of stored electrons can reach up to 1.062 × 10 11 cm −2 and the number of stored electrons is up to 1.826 × 10 8 for UV light with wavelengths from 200 to 380 nm and an intensity of 0.1 W/cm 2 under a driving voltage of 15 V at room temperature. (semiconductor devices)

Theory and simulation of photogeneration and transport in Si-SiOx superlattice absorbers

Directory of Open Access Journals (Sweden)

Aeberhard Urs

2011-01-01

Full Text Available Abstract Si-SiOx superlattices are among the candidates that have been proposed as high band gap absorber material in all-Si tandem solar cell devices. Owing to the large potential barriers for photoexited charge carriers, transport in these devices is restricted to quantum-confined superlattice states. As a consequence of the finite number of wells and large built-in fields, the electronic spectrum can deviate considerably from the minibands of a regular superlattice. In this article, a quantum-kinetic theory based on the non-equilibrium Green's function formalism for an effective mass Hamiltonian is used for investigating photogeneration and transport in such devices for arbitrary geometry and operating conditions. By including the coupling of electrons to both photons and phonons, the theory is able to provide a microscopic picture of indirect generation, carrier relaxation, and inter-well transport mechanisms beyond the ballistic regime.

Biologically based modelling and simulation of carcinogenesis at low doses

International Nuclear Information System (INIS)

Ouchi, Noriyuki B.

2003-01-01

The process of the carcinogenesis is studied by computer simulation. In general, we need a large number of experimental samples to detect mutations at low doses, but in practice it is difficult to get such a large number of data. To satisfy the requirements of the situation at low doses, it is good to study the process of carcinogenesis using biologically based mathematical model. We have mainly studied it by using as known as 'multi-stage model'; the model seems to get complicated, as we adopt the recent new findings of molecular biological experiments. Moreover, the basic idea of the multi-stage model is based on the epidemiologic data of log-log variation of cancer incidence with age, it seems to be difficult to compare with experimental data of irradiated cell culture system, which has been increasing in recent years. Taking above into consideration, we concluded that we had better make new model with following features: 1) a unit of the target system is a cell, 2) the new information of the molecular biology can be easily introduced, 3) having spatial coordinates for checking a colony formation or tumorigenesis. In this presentation, we will show the detail of the model and some simulation results about the carcinogenesis. (author)

Preparation of CaO-SiO2-CuO bioactive glasses-embedded anodic alumina with improved biological activities

Directory of Open Access Journals (Sweden)

Ni Siyu

2017-10-01

Full Text Available To improve bone cell cytocompatibility properties of porous anodic alumina (PAA and implement anti-bacterial properties, amorphous CaO-SiO2-CuO materials were loaded into PAA nano-pores (termed CaO-SiO2- CuO/PAA by a facile ultrasonic-assisted sol-dipping strategy. The surface features and chemistry of the obtained CaO-SiO2-CuO/PAA were investigated by a field emission scanning microscope (FESEM, an energy-dispersive Xray spectrometer (EDS and an X-ray photoelectron spectroscopy (XPS. The ability of the CaO-SiO2-CuO/PAA specimens to form apatite via a bio-mineralization processwas evaluated by soaking them in simulated body fluid (SBF in vitro. The surface microstructure and chemical properties after soaking in SBFwere characterized. The release of ions into the SBF was also measured. In addition, rat osteoblasts and two types of bacterial were cultured on the samples to determine their cytocompatibility and antibacterial properties. The results showed that the amorphous CaO-SiO2-CuO materials were successfully decorated into PAA nano-pores and at the same time maintained their nano-featured surfaces. The CaO-SiO2-CuO/PAA samples induced apatite-mineralization in SBF. Meanwhile, the CaO-SiO2-CuO/PAA samples demonstrated great potential for promoting the proliferation of osteoblasts and inhibiting Escherichia coli (E. coli as well as Staphylococcus. aureus (S. aureus growth. Specifically, there was an 86.5±4.1% reduction in E. coli, an 88.0 ± 2.2% reduction in S. aureus for the CaO-SiO2-CuO/PAA surfaces compared to PAA controls. The capability to promote osteoblast proliferation and better antibacterial activity of CaO-SiO2- CuO/PAA may be attributed to the fact that Cu ions can be slowly and constantly released from the samples. Importantly, this was achieved without the use of antibiotics or any pharmaceutical agent. Ultimately, these results suggest that the CaO-SiO2-CuO/PAA substrates possessed improved bone cell cytocompatibility and high

Simulation of electron transmittance and tunnel current in n{sup +} Poly-Si/HfSiO{sub x}N/Trap/SiO{sub 2}/Si(100) capacitors using analytical and numerical approaches

Energy Technology Data Exchange (ETDEWEB)

Noor, Fatimah A., E-mail: fatimah@fi.itb.ac.id; Iskandar, Ferry; Abdullah, Mikrajuddin; Khairurrijal [Physics of Electronic Materials Research Division Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung Jalan Ganesa 10, Bandung 40132 (Indonesia)

2015-04-16

In this paper, we discuss the electron transmittance and tunneling current in high-k-based-MOS capacitors with trapping charge by including the off-diagonal effective-mass tensor elements and the effect of coupling between transverse and longitudinal energies represented by an electron velocity in the gate. The HfSiO{sub x}N/SiO{sub 2} dual ultrathin layer is used as the gate oxide in an n{sup +} poly- Si/oxide/Si capacitor to replace SiO{sub 2}. The main problem of using HfSiO{sub x}N is the charge trapping formed at the HfSiO{sub x}N/SiO{sub 2} interface that can influence the performance of the device. Therefore, it is important to develop a model taking into account the presence of electron traps at the HfSiO{sub x}N/SiO{sub 2} interface in the electron transmittance and tunneling current. The transmittance and tunneling current in n{sup +} poly- Si/HfSiO{sub x}N/trap/SiO2/Si(100) capacitors are calculated by using Airy wavefunctions and a transfer matrix method (TMM) as analytical and numerical approaches, respectively. The transmittance and tunneling current obtained from the Airy wavefunction are compared to those computed by the TMM. The effects of the electron velocity on the transmittance and tunneling current are also discussed.

In vivo degradation behavior and biological activity of some new Mg-Ca alloys with concentration's gradient of Si for bone grafts

Science.gov (United States)

Trincă, Lucia Carmen; Fântânariu, Mircea; Solcan, Carmen; Trofin, Alina Elena; Burtan, Liviu; Acatrinei, Dumitru Mihai; Stanciu, Sergiu; Istrate, Bogdan; Munteanu, Corneliu

2015-10-01

Magnesium based alloys, especially Mg-Ca alloys, are biocompatible substrates with mechanical properties similar to those of bones. The biodegradable alloys of Mg-Ca provide sufficient mechanical strength in load carrying applications as opposed to biopolymers and also they avoid stress shielding and secondary surgery inherent with permanent metallic implant materials. The main issue facing a biodegradable Mg-Ca alloy is the fast degradation in the aggressive physiological environment of the body. The alloy's corrosion is proportional with the dissolution of the Mg in the body: the reaction with the water generates magnesium hydroxide and hydrogen. The accelerated corrosion will lead to early loss of the alloy's mechanical integrity. The degradation rate of an alloy can be improved mainly through tailoring the composition and by carrying out surface treatments. This research focuses on the ability to adjust degradation rate of Mg-Ca alloys by an original method and studies the biological activity of the resulted specimens. A new Mg-Ca alloy, with a Si gradient concentration from the surface to the interior of the material, was obtained. The surface morphology was investigated using scanning electron microscopy (VegaTescan LMH II, SE detector, 30 kV), X-ray diffraction (X'Pert equipment) and energy dispersive X-ray (Bruker EDS equipment). In vivo degradation behavior, biological compatibility and activity of Mg-Ca alloys with/without Si gradient concentration were studied with an implant model (subcutaneous and bony) in rats. The organism response to implants was characterized by using radiological (plain X-rays and computed tomography), biochemical and histological methods of investigation. The results sustained that Si gradient concentration can be used to control the rate of degradation of the Mg-Ca alloys for enhancing their biologic activity in order to facilitate bone tissue repair.

A computational systems biology software platform for multiscale modeling and simulation: Integrating whole-body physiology, disease biology, and molecular reaction networks

Directory of Open Access Journals (Sweden)

Thomas eEissing

2011-02-01

Full Text Available Today, in silico studies and trial simulations already complement experimental approaches in pharmaceutical R&D and have become indispensable tools for decision making and communication with regulatory agencies. While biology is multi-scale by nature, project work and software tools usually focus on isolated aspects of drug action, such as pharmacokinetics at the organism scale or pharmacodynamic interaction on the molecular level. We present a modeling and simulation software platform consisting of PK-Sim® and MoBi® capable of building and simulating models that integrate across biological scales. A prototypical multiscale model for the progression of a pancreatic tumor and its response to pharmacotherapy is constructed and virtual patients are treated with a prodrug activated by hepatic metabolization. Tumor growth is driven by signal transduction leading to cell cycle transition and proliferation. Free tumor concentrations of the active metabolite inhibit Raf kinase in the signaling cascade and thereby cell cycle progression. In a virtual clinical study, the individual therapeutic outcome of the chemotherapeutic intervention is simulated for a large population with heterogeneous genomic background. Thereby, the platform allows efficient model building and integration of biological knowledge and prior data from all biological scales. Experimental in vitro model systems can be linked with observations in animal experiments and clinical trials. The interplay between patients, diseases, and drugs and topics with high clinical relevance such as the role of pharmacogenomics, drug-drug or drug-metabolite interactions can be addressed using this mechanistic, insight driven multiscale modeling approach.

Simulation of light-induced degradation of μc-Si in a-Si/μc-Si tandem solar cells by the diode equivalent circuit

Science.gov (United States)

Weicht, J. A.; Hamelmann, F. U.; Behrens, G.

2016-02-01

Silicon-based thin film tandem solar cells consist of one amorphous (a-Si) and one microcrystalline (μc-Si) silicon solar cell. The Staebler - Wronski effect describes the light- induced degradation and temperature-dependent healing of defects of silicon-based solar thin film cells. The solar cell degradation depends strongly on operation temperature. Until now, only the light-induced degradation (LID) of the amorphous layer was examined in a-Si/μc-Si solar cells. The LID is also observed in pc-Si single function solar cells. In our work we show the influence of the light-induced degradation of the μc-Si layer on the diode equivalent circuit. The current-voltage-curves (I-V-curves) for the initial state of a-Si/pc-Si modules are measured. Afterwards the cells are degraded under controlled conditions at constant temperature and constant irradiation. At fixed times the modules are measured at standard test conditions (STC) (AM1.5, 25°C cell temperature, 1000 W/m2) for controlling the status of LID. After the degradation the modules are annealed at dark conditions for several hours at 120°C. After the annealing the dangling bonds in the amorphous layer are healed, while the degradation of the pc-Si is still present, because the healing of defects in pc-Si solar cells needs longer time or higher temperatures. The solar cells are measured again at STC. With this laboratory measured I-V-curves we are able to separate the values of the diode model: series Rs and parallel resistance Rp, saturation current Is and diode factor n.

Investigation of the atomic interface structure of mesotaxial Si/CoSi2(100) layers formed by high-dose implantation

International Nuclear Information System (INIS)

Bulle-Lieuwma, C.W.T.; Jong, A.F. de; Vandenhoudt, D.E.W.

1991-01-01

Aligned mesotaxial films of CoSi 2 in monocrystalline (100) oriented Si substrates have been formed by high-dose ion implantation of Co, followed by a high temperature treatment. The atomic structures of both the lower and upper Si/CoSi 2 (100) interfaces of the buried CoSi 2 layer have been investigated by high-resolution electron microscopy (HREM) combined with image simulations. A domain-like structure is observed consisting of areas with different interfaces. In order to derive the atomic configuration, image simulations of different proposed models are presented. By comparing simulated images and HREM images, two different atomic structure models for the Si/CoSi 2 (100) interface have been found. In the first model the interfacial Co atoms are six-fold coordinated and the tetrahedral coordination and bond lengths of silicon atoms are everywhere maintained. In the second model we found evidence for a 2 x 1 interface reconstruction, involving a difference in composition. The interfacial Co atoms are seven-fold coordinated. It is shown that the boundaries between the domains are associated with interfacial dislocations of edge-type with Burgers vectors b a/4 inclined and b = a/2 parallel to the interfacial plane. (author)

The finite element simulation analysis research of 38CrSi cylindrical power spinning

Science.gov (United States)

Liang, Wei; Lv, Qiongying; Zhao, Yujuan; Lv, Yunxia

2018-01-01

In order to grope for the influence of the main cylindrical spinning process parameters on the spinning process, this paper combines with real tube power spinning process and uses ABAQUS finite element analysis software to simulate the tube power spinning process of 38CrSi steel materials, through the analysis of the stress, strain of the part forming process, analyzes the influence of the thickness reduction and the feed rate to the forming process, and analyzes the variation of the spinning force, finally determines the reasonable main spinning process parameters combination.

Environmental Barrier Coating Development for SiC/SiC Ceramic Matrix Composites: Recent Advances and Future Directions

Science.gov (United States)

Zhu, Dongming

2016-01-01

This presentation briefly reviews the SiC/SiC major environmental and environment-fatigue degradations encountered in simulated turbine combustion environments, and thus NASA environmental barrier coating system evolution for protecting the SiC/SiC Ceramic Matrix Composites for meeting the engine performance requirements. The presentation will review several generations of NASA EBC materials systems, EBC-CMC component system technologies for SiC/SiC ceramic matrix composite combustors and turbine airfoils, highlighting the temperature capability and durability improvements in simulated engine high heat flux, high pressure, high velocity, and with mechanical creep and fatigue loading conditions. This paper will also focus on the performance requirements and design considerations of environmental barrier coatings for next generation turbine engine applications. The current development emphasis is placed on advanced NASA candidate environmental barrier coating systems for SiC/SiC CMCs, their performance benefits and design limitations in long-term operation and combustion environments. The efforts have been also directed to developing prime-reliant, self-healing 2700F EBC bond coat; and high stability, lower thermal conductivity, and durable EBC top coats. Major technical barriers in developing environmental barrier coating systems, the coating integrations with next generation CMCs having the improved environmental stability, erosion-impact resistance, and long-term fatigue-environment system durability performance will be described. The research and development opportunities for turbine engine environmental barrier coating systems by utilizing improved compositions, state-of-the-art processing methods, and simulated environment testing and durability modeling will be briefly discussed.

Creep Behavior of Hafnia and Ytterbium Silicate Environmental Barrier Coating Systems on SiC/SiC Ceramic Matrix Composites

Science.gov (United States)

Zhu, Dongming; Fox, Dennis S.; Ghosn, Louis J.; Harder, Bryan

2011-01-01

Environmental barrier coatings will play a crucial role in future advanced gas turbine engines because of their ability to significantly extend the temperature capability and stability of SiC/SiC ceramic matrix composite (CMC) engine components, thus improving the engine performance. In order to develop high performance, robust coating systems for engine components, appropriate test approaches simulating operating temperature gradient and stress environments for evaluating the critical coating properties must be established. In this paper, thermal gradient mechanical testing approaches for evaluating creep and fatigue behavior of environmental barrier coated SiC/SiC CMC systems will be described. The creep and fatigue behavior of Hafnia and ytterbium silicate environmental barrier coatings on SiC/SiC CMC systems will be reported in simulated environmental exposure conditions. The coating failure mechanisms will also be discussed under the heat flux and stress conditions.

Effect of Ti and Si interlayer materials on the joining of SiC ceramics

Energy Technology Data Exchange (ETDEWEB)

Jung, Yang Il; Park, Jung Hwan; Kim, Hyun Gil; Park, Dong Jun; Park, Jeong Yong; Kim, Weon Ju [LWR Fuel Technology Division, Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2016-08-15

SiC-based ceramic composites are currently being considered for use in fuel cladding tubes in light-water reactors. The joining of SiC ceramics in a hermetic seal is required for the development of ceramic-based fuel cladding tubes. In this study, SiC monoliths were diffusion bonded using a Ti foil interlayer and additional Si powder. In the joining process, a very low uniaxial pressure of ∼0.1 MPa was applied, so the process is applicable for joining thin-walled long tubes. The joining strength depended strongly on the type of SiC material. Reaction-bonded SiC (RB-SiC) showed a higher joining strength than sintered SiC because the diffusion reaction of Si was promoted in the former. The joining strength of sintered SiC was increased by the addition of Si at the Ti interlayer to play the role of the free Si in RB-SiC. The maximum joint strength obtained under torsional stress was ∼100 MPa. The joint interface consisted of TiSi{sub 2}, Ti{sub 3}SiC{sub 2}, and SiC phases formed by a diffusion reaction of Ti and Si.

STSE: Spatio-Temporal Simulation Environment Dedicated to Biology

Directory of Open Access Journals (Sweden)

Gerber Susanne

2011-04-01

Full Text Available Abstract Background Recently, the availability of high-resolution microscopy together with the advancements in the development of biomarkers as reporters of biomolecular interactions increased the importance of imaging methods in molecular cell biology. These techniques enable the investigation of cellular characteristics like volume, size and geometry as well as volume and geometry of intracellular compartments, and the amount of existing proteins in a spatially resolved manner. Such detailed investigations opened up many new areas of research in the study of spatial, complex and dynamic cellular systems. One of the crucial challenges for the study of such systems is the design of a well stuctured and optimized workflow to provide a systematic and efficient hypothesis verification. Computer Science can efficiently address this task by providing software that facilitates handling, analysis, and evaluation of biological data to the benefit of experimenters and modelers. Results The Spatio-Temporal Simulation Environment (STSE is a set of open-source tools provided to conduct spatio-temporal simulations in discrete structures based on microscopy images. The framework contains modules to digitize, represent, analyze, and mathematically model spatial distributions of biochemical species. Graphical user interface (GUI tools provided with the software enable meshing of the simulation space based on the Voronoi concept. In addition, it supports to automatically acquire spatial information to the mesh from the images based on pixel luminosity (e.g. corresponding to molecular levels from microscopy images. STSE is freely available either as a stand-alone version or included in the linux live distribution Systems Biology Operational Software (SB.OS and can be downloaded from http://www.stse-software.org/. The Python source code as well as a comprehensive user manual and video tutorials are also offered to the research community. We discuss main concepts

STSE: Spatio-Temporal Simulation Environment Dedicated to Biology.

Science.gov (United States)

Stoma, Szymon; Fröhlich, Martina; Gerber, Susanne; Klipp, Edda

2011-04-28

Recently, the availability of high-resolution microscopy together with the advancements in the development of biomarkers as reporters of biomolecular interactions increased the importance of imaging methods in molecular cell biology. These techniques enable the investigation of cellular characteristics like volume, size and geometry as well as volume and geometry of intracellular compartments, and the amount of existing proteins in a spatially resolved manner. Such detailed investigations opened up many new areas of research in the study of spatial, complex and dynamic cellular systems. One of the crucial challenges for the study of such systems is the design of a well stuctured and optimized workflow to provide a systematic and efficient hypothesis verification. Computer Science can efficiently address this task by providing software that facilitates handling, analysis, and evaluation of biological data to the benefit of experimenters and modelers. The Spatio-Temporal Simulation Environment (STSE) is a set of open-source tools provided to conduct spatio-temporal simulations in discrete structures based on microscopy images. The framework contains modules to digitize, represent, analyze, and mathematically model spatial distributions of biochemical species. Graphical user interface (GUI) tools provided with the software enable meshing of the simulation space based on the Voronoi concept. In addition, it supports to automatically acquire spatial information to the mesh from the images based on pixel luminosity (e.g. corresponding to molecular levels from microscopy images). STSE is freely available either as a stand-alone version or included in the linux live distribution Systems Biology Operational Software (SB.OS) and can be downloaded from http://www.stse-software.org/. The Python source code as well as a comprehensive user manual and video tutorials are also offered to the research community. We discuss main concepts of the STSE design and workflow. We

CAFE simulation of columnar-to-equiaxed transition in Al-7wt%Si alloys directionally solidified under microgravity

Science.gov (United States)

Liu, D. R.; Mangelinck-Noël, N.; Gandin, Ch-A.; Zimmermann, G.; Sturz, L.; Nguyen Thi, H.; Billia, B.

2016-03-01

A two-dimensional multi-scale cellular automaton - finite element (CAFE) model is used to simulate grain structure evolution and microsegregation formation during solidification of refined Al-7wt%Si alloys under microgravity. The CAFE simulations are first qualitatively compared with the benchmark experimental data under microgravity. Qualitative agreement is obtained for the position of columnar to equiaxed transition (CET) and the CET transition mode (sharp or progressive). Further comparisons of the distributions of grain elongation factor and equivalent diameter are conducted and reveal a fair quantitative agreement.

Sponge-like Si-SiO2 nanocomposite—Morphology studies of spinodally decomposed silicon-rich oxide

Science.gov (United States)

Friedrich, D.; Schmidt, B.; Heinig, K. H.; Liedke, B.; Mücklich, A.; Hübner, R.; Wolf, D.; Kölling, S.; Mikolajick, T.

2013-09-01

Sponge-like Si nanostructures embedded in SiO2 were fabricated by spinodal decomposition of sputter-deposited silicon-rich oxide with a stoichiometry close to that of silicon monoxide. After thermal treatment a mean feature size of about 3 nm was found in the phase-separated structure. The structure of the Si-SiO2 nanocomposite was investigated by energy-filtered transmission electron microscopy (EFTEM), EFTEM tomography, and atom probe tomography, which revealed a percolated Si morphology. It was shown that the percolation of the Si network in 3D can also be proven on the basis of 2D EFTEM images by comparison with 3D kinetic Monte Carlo simulations.

Sponge-like Si-SiO2 nanocomposite—Morphology studies of spinodally decomposed silicon-rich oxide

International Nuclear Information System (INIS)

Friedrich, D.; Schmidt, B.; Heinig, K. H.; Liedke, B.; Mücklich, A.; Hübner, R.; Wolf, D.; Kölling, S.; Mikolajick, T.

2013-01-01

Sponge-like Si nanostructures embedded in SiO 2 were fabricated by spinodal decomposition of sputter-deposited silicon-rich oxide with a stoichiometry close to that of silicon monoxide. After thermal treatment a mean feature size of about 3 nm was found in the phase-separated structure. The structure of the Si-SiO 2 nanocomposite was investigated by energy-filtered transmission electron microscopy (EFTEM), EFTEM tomography, and atom probe tomography, which revealed a percolated Si morphology. It was shown that the percolation of the Si network in 3D can also be proven on the basis of 2D EFTEM images by comparison with 3D kinetic Monte Carlo simulations

75 FR 9527 - Trichoderma asperellum strain ICC 012; Exemption from the Requirement of a Tolerance

Science.gov (United States)

2010-03-03

... ENVIRONMENTAL PROTECTION AGENCY 40 CFR Part 180 [EPA-HQ-OPP-2008-0750; FRL-8800-9] Trichoderma... of a tolerance for residues of the Trichoderma asperellum strain ICC 012 on all food/feed commodities... residues of Trichoderma asperellum strain ICC 012. DATES: This regulation is effective March 3, 2010...

Effects of simulated microgravity on gene expression and biological phenotypes of a single generation Caenorhabditis elegans cultured on 2 different media.

Science.gov (United States)

Tee, Ling Fei; Neoh, Hui-Min; Then, Sue Mian; Murad, Nor Azian; Asillam, Mohd Fairos; Hashim, Mohd Helmy; Nathan, Sheila; Jamal, Rahman

2017-11-01

Studies of multigenerational Caenorhabditis elegans exposed to long-term spaceflight have revealed expression changes of genes involved in longevity, DNA repair, and locomotion. However, results from spaceflight experiments are difficult to reproduce as space missions are costly and opportunities are rather limited for researchers. In addition, multigenerational cultures of C. elegans used in previous studies contribute to mixture of gene expression profiles from both larvae and adult worms, which were recently reported to be different. Usage of different culture media during microgravity simulation experiments might also give rise to differences in the gene expression and biological phenotypes of the worms. In this study, we investigated the effects of simulated microgravity on the gene expression and biological phenotype profiles of a single generation of C. elegans worms cultured on 2 different culture media. A desktop Random Positioning Machine (RPM) was used to simulate microgravity on the worms for approximately 52 to 54 h. Gene expression profile was analysed using the Affymetrix GeneChip® C. elegans 1.0 ST Array. Only one gene (R01H2.2) was found to be downregulated in nematode growth medium (NGM)-cultured worms exposed to simulated microgravity. On the other hand, eight genes were differentially expressed for C. elegans Maintenance Medium (CeMM)-cultured worms in microgravity; six were upregulated, while two were downregulated. Five of the upregulated genes (C07E3.15, C34H3.21, C32D5.16, F35H8.9 and C34F11.17) encode non-coding RNAs. In terms of biological phenotype, we observed that microgravity-simulated worms experienced minimal changes in terms of lifespan, locomotion and reproductive capabilities in comparison with the ground controls. Taking it all together, simulated microgravity on a single generation of C. elegans did not confer major changes to their gene expression and biological phenotype. Nevertheless, exposure of the worms to microgravity

Advanced Environmental Barrier Coating Development for SiC/SiC Ceramic Matrix Composites: NASA's Perspectives

Science.gov (United States)

Zhu, Dongming

2016-01-01

This presentation reviews NASA environmental barrier coating (EBC) system development programs and the coating materials evolutions for protecting the SiC/SiC Ceramic Matrix Composites in order to meet the next generation engine performance requirements. The presentation focuses on several generations of NASA EBC systems, EBC-CMC component system technologies for SiC/SiC ceramic matrix composite combustors and turbine airfoils, highlighting the temperature capability and durability improvements in simulated engine high heat flux, high pressure, high velocity, and with mechanical creep and fatigue loading conditions. The current EBC development emphasis is placed on advanced NASA 2700F candidate environmental barrier coating systems for SiC/SiC CMCs, their performance benefits and design limitations in long-term operation and combustion environments. Major technical barriers in developing environmental barrier coating systems, the coating integrations with next generation CMCs having the improved environmental stability, erosion-impact resistance, and long-term fatigue-environment system durability performance are described. The research and development opportunities for advanced turbine airfoil environmental barrier coating systems by utilizing improved compositions, state-of-the-art processing methods, and simulated environment testing and durability modeling are discussed.

Magnetic properties in the vortex state of Pr1-xNdxPt4Ge12 and PrPt3.88Fe0.12Ge12 superconductors

Science.gov (United States)

Chandra, L. S. Sharath; Chattopadhyay, M. K.

2018-03-01

We report the temperature and magnetic field dependence of magnetization of Pr1-xNdxPt4Ge12 (x = 0, 0.05 and 0.1) and PrPt3.88Fe0.12Ge12 below 10 K and up to 2 T magnetic field. When compared to the parent PrPt4Ge12, while the critical current density and flux pinning properties are enhanced in the Pr1-xNdxPt4Ge12 samples, they are considerably diminished in the PrPt3.88Fe0.12Ge12 sample. We argue that the observed changes are related to the way the substituting atoms at different crystallographic sites influence the superconductivity in these Germanide skutterudites.

Atomistic simulations in Si processing: Bridging the gap between atoms and experiments

International Nuclear Information System (INIS)

Marques, Luis A.; Pelaz, Lourdes; Lopez, Pedro; Aboy, Maria; Santos, Ivan; Barbolla, Juan

2005-01-01

With devices shrinking to nanometric scale, process simulation tools have to shift from continuum models to an atomistic description of the material. However, the limited sizes and time scales accessible for detailed atomistic techniques usually lead to the difficult task of relating the information obtained from simulations to experimental data. The solution consists of the use of a hierarchical simulation scheme: more fundamental techniques are employed to extract parameters and models that are then feed into less detailed simulators which allow direct comparison with experiments. This scheme will be illustrated with the modeling of the amorphization and recrystallization of Si, which has been defined as a key challenge in the last edition of the International Technology Roadmap for Semiconductors. The model is based on the bond defect or IV pair, which is used as the building block of the amorphous phase. The properties of this defect have been studied using ab initio methods and classical molecular dynamics techniques. It is shown that the recombination of this defect depends on the surrounding bond defects, which accounts for the cooperative nature of the amorphization and recrystallization processes. The implementation of this model in a kinetic Monte Carlo code allows extracting data directly comparable with experiments. This approach provides physical insight on the amorphization and recrystallization mechanisms and a tool for the optimization of solid-phase epitaxial-related processes

Nano SiO2 and MgO Improve the Properties of Porous β-TCP Scaffolds via Advanced Manufacturing Technology

Directory of Open Access Journals (Sweden)

Chengde Gao

2015-03-01

Full Text Available Nano SiO2 and MgO particles were incorporated into β-tricalcium phosphate (β-TCP scaffolds to improve the mechanical and biological properties. The porous cylindrical β-TCP scaffolds doped with 0.5 wt % SiO2, 1.0 wt % MgO, 0.5 wt % SiO2 + 1.0 wt % MgO were fabricated via selective laser sintering respectively and undoped β-TCP scaffold was also prepared as control. The phase composition and mechanical strength of the scaffolds were evaluated. X-ray diffraction analysis indicated that the phase transformation from β-TCP to α-TCP was inhibited after the addition of MgO. The compressive strength of scaffold was improved from 3.12 ± 0.36 MPa (β-TCP to 5.74 ± 0.62 MPa (β-TCP/SiO2, 9.02 ± 0.55 MPa (β-TCP/MgO and 10.43 ± 0.28 MPa (β-TCP/SiO2/MgO, respectively. The weight loss and apatite-forming ability of the scaffolds were evaluated by soaking them in simulated body fluid. The results demonstrated that both SiO2 and MgO dopings slowed down the degradation rate and improved the bioactivity of β-TCP scaffolds. In vitro cell culture studies indicated that SiO2 and MgO dopings facilitated cell attachment and proliferation. Combined addition of SiO2 and MgO were found optimal in enhancing both the mechanical and biological properties of β-TCP scaffold.

Photocatalytic and Escherichia antibacterial activities of Ag-TiO2-SiO2 nanocomposite powder under simulated solar light irradiation

Science.gov (United States)

Van Dang, Han; Le, Vien Minh; Hoang, Hoang Anh

2017-09-01

The photocatalytic nanocomposite powder TiO2, TiO2-SiO2 and Ag-TiO2-SiO2 (ATS) were synthesized by sol-gel method assisted with hydrothermal treatment and characterized by X-ray diffraction (XRD), Raman spectroscopy (RAMAN), Fourier transformed infrared spectroscopy (FT-IR), Energy dispersive X-ray (EDX), Transmission electron microscope (TEM), Brunauer-Emmett-Teller (BET) surface area and UV-Vis absorption spectra analysis. The Escherichia coli (E. coli) antibacterial activity of synthesized photo-catalysts under simulated solar light have been also investigated. The heterogeneous A4TS10 with the 4 wt.% Ag and 10 wt.% SiO2 had anatase and rutile phase, spherical in shape with the particle size about 20 - 30 nm, specific surface area (SSA) of 218.4 m2/g, the band gap of 3.06 eV. The E. coli antibacterial activities of the synthesized samples under simulated solar light were also investigated under simulated solar light with 25 W of light intensity. The E. coli antibacterial ability of A4TS10 performed the highest photo-activity. E. coli bacteria was entirely killed after 30-minute irradiation and no bacterial regrowth was observed after 24 hours. The research results demonstrated that the photocatalytic A4TS10 is a promising green material to treatment wastewater infected bacteria application.

Simulation and Analysis of Complex Biological Processes: an Organisation Modelling Perspective

NARCIS (Netherlands)

Bosse, T.; Jonker, C.M.; Treur, J.

2005-01-01

This paper explores how the dynamics of complex biological processes can be modelled and simulated as an organisation of multiple agents. This modelling perspective identifies organisational structure occurring in complex decentralised processes and handles complexity of the analysis of the dynamics

Applying the Nernst equation to simulate redox potential variations for biological nitrification and denitrification processes.

Science.gov (United States)

Chang, Cheng-Nan; Cheng, Hong-Bang; Chao, Allen C

2004-03-15

In this paper, various forms of Nernst equations have been developed based on the real stoichiometric relationship of biological nitrification and denitrification reactions. Instead of using the Nernst equation based on a one-to-one stoichiometric relation for the oxidizing and the reducing species, the basic Nernst equation is modified into slightly different forms. Each is suitable for simulating the redox potential (ORP) variation of a specific biological nitrification or denitrification process. Using the data published in the literature, the validity of these developed Nernst equations has been verified by close fits of the measured ORP data with the calculated ORP curve. The simulation results also indicate that if the biological process is simulated using an incorrect form of Nernst equation, the calculated ORP curve will not fit the measured data. Using these Nernst equations, the ORP value that corresponds to a predetermined degree of completion for the biochemical reaction can be calculated. Thus, these Nernst equations will enable a more efficient on-line control of the biological process.

Selective Oxidation of a 0.1C-6Mn-2Si Third Generation Advanced High-Strength Steel During Dew-Point Controlled Annealing

Science.gov (United States)

Pourmajidian, Maedeh; McDermid, Joseph R.

2018-03-01

The present study investigates the selective oxidation of a 0.1C-6Mn-2Si medium-Mn advanced high-strength steel during austenization annealing heat treatments as a function of process atmosphere oxygen partial pressure and annealing time. It was determined that the surface oxide growth kinetics followed a parabolic rate law with the minimum rate belonging to the lowest oxygen partial pressure atmosphere at a dew point of 223 K (- 50 °C). The chemistry of the surface and subsurface oxides was studied using STEM + EELS on the sample cross sections, and it was found that the surface oxides formed under the 223 K (- 50 °C) dew-point atmosphere consisted of a layered configuration of SiO2, MnSiO3, and MnO, while in the case of the higher pO2 process atmospheres, only MnO was detected at the surface. Consistent with the Wagner calculations, it was shown that the transition to internal oxidation for Mn occurred under the 243 K (- 30 °C) and 278 K (+ 5 °C) dew-point atmospheres. However, the predictions of the external to internal oxidation for Si using the Wagner model did not correlate well with the experimental findings nor did the predictions of the Mataigne et al. model for multi-element alloys. Investigations of the internal oxide network at the grain boundaries revealed a multilayer oxide structure composed of amorphous SiO2 and crystalline MnSiO3, respectively, at the oxide core and outer shell. A mechanism for the formation of the oxide morphologies observed, based on kinetic and thermodynamic factors, was proposed. It is expected that only the fine and nodule-like MnO oxides formed on the surface of the samples annealed under the 278 K (+ 5 °C) dew-point process atmosphere for 60 and 120 seconds are sufficiently thin and of the desired dispersed morphology to promote reactive wetting by the molten galvanizing bath.

Evaluation of thermophysical properties of Al–Sn–Si alloys based on computational thermodynamics and validation by numerical and experimental simulation of solidification

International Nuclear Information System (INIS)

Bertelli, Felipe; Cheung, Noé; Ferreira, Ivaldo L.; Garcia, Amauri

2016-01-01

Highlights: • A numerical routine coupled to a computational thermodynamics software is proposed to calculate thermophysical properties. • The approach encompasses numerical and experimental simulation of solidification. • Al–Sn–Si alloys thermophysical properties are validated by experimental/numerical cooling rate results. - Abstract: Modelling of manufacturing processes of multicomponent Al-based alloys products, such as casting, requires thermophysical properties that are rarely found in the literature. It is extremely important to use reliable values of such properties, as they can influence critically on simulated output results. In the present study, a numerical routine is developed and connected in real runtime execution to a computational thermodynamic software with a view to permitting thermophysical properties such as: latent heats; specific heats; temperatures and heats of transformation; phase fractions and composition and density of Al–Sn–Si alloys as a function of temperature, to be determined. A numerical solidification model is used to run solidification simulations of ternary Al-based alloys using the appropriate calculated thermophysical properties. Directional solidification experiments are carried out with two Al–Sn–Si alloys compositions to provide experimental cooling rates profiles along the length of the castings, which are compared with numerical simulations in order to validate the calculated thermophysical data. For both cases a good agreement can be observed, indicating the relevance of applicability of the proposed approach.

CAFE simulation of columnar-to-equiaxed transition in Al-7wt%Si alloys directionally solidified under microgravity

International Nuclear Information System (INIS)

Liu, D R; Mangelinck-Noël, N; Thi, H Nguyen; Billia, B; Gandin, Ch-A; Zimmermann, G; Sturz, L

2016-01-01

A two-dimensional multi-scale cellular automaton - finite element (CAFE) model is used to simulate grain structure evolution and microsegregation formation during solidification of refined Al-7wt%Si alloys under microgravity. The CAFE simulations are first qualitatively compared with the benchmark experimental data under microgravity. Qualitative agreement is obtained for the position of columnar to equiaxed transition (CET) and the CET transition mode (sharp or progressive). Further comparisons of the distributions of grain elongation factor and equivalent diameter are conducted and reveal a fair quantitative agreement. (paper)

Purity and radioactive decay behaviour of industrial 2D-reinforced SiCf/SiC composites

International Nuclear Information System (INIS)

Scholz, H.W.; Zucchetti, M.; Casteleyn, K.; Adelhelm, C.

1994-01-01

Ceramic matrix composites based on SiC with continuous fibres (SiC f /SiC) are considered promising structural materials for future fusion devices. It was still to clarify, whether impurities in industrial SiC f /SiC could jeopardise radiological advantages. Experimental impurity analyses revealed a two-dimensionally reinforced SiC f /SiC with the matrix produced by CVI as very pure. Chemo-spectrometric methods were combined with radioactivation methods (CPAA, NAA). A quantification of the main constituents Si, C and O was added. Calculations with the FISPACT-2.4 code and EAF-2 library identified elements detrimental for different low-activation criteria. For the neutron exposure, EEF reactor-study first wall and blanket conditions were simulated. The calculated SiC f /SiC included 48 trace elements. Even under conservative assumptions, all low-activation limits of European interest are fulfilled. Exclusively the hands-on recycling limit for the First Wall can intrinsically not be satisfied with SiC. The theoretical goal of a SiC f /SiC depleted of 28 Si (isotopic tailoring) is critically discussed. ((orig.))

[Non-biological 3D printed simulator for training in percutaneous nephro- lithotripsy].

Science.gov (United States)

Alyaev, Yu G; Sirota, E S; Bezrukov, E A; Ali, S Kh; Bukatov, M D; Letunovskiy, A V; Byadretdinov, I Sh

2018-03-01

To develop a non-biological 3D printed simulator for training and preoperative planning in percutaneous nephrolithotripsy (PCNL), which allows doctors to master and perform all stages of the operation under ultrasound and fluoroscopy guidance. The 3D model was constructed using multislice spiral computed tomography (MSCT) images of a patient with staghorn urolithiasis. The MSCT data were processed and used to print the model. The simulator consisted of two parts: a non-biological 3D printed soft model of a kidney with reproduced intra-renal vascular and collecting systems and a printed 3D model of a human body. Using this 3D printed simulator, PCNL was performed in the interventional radiology operating room under ultrasound and fluoroscopy guidance. The designed 3D printed model of the kidney completely reproduces the individual features of the intra-renal structures of the particular patient. During the training, all the main stages of PCNL were performed successfully: the puncture, dilation of the nephrostomy tract, endoscopic examination, intra-renal lithotripsy. Our proprietary 3D-printed simulator is a promising development in the field of endourologic training and preoperative planning in the treatment of complicated forms of urolithiasis.

Lattice location of Tm in Si and Ge determined from ion channeling followed by Monte Carlo simulations

International Nuclear Information System (INIS)

Yamamoto, Y.; Wakaiki, M.; Ikeda, A.; Kido, Y.

1999-01-01

The lattice location of Tm implanted into Si(1 0 0) and Ge(1 1 1) with energy of 180 keV was determined precisely by ion channeling followed by Monte Carlo simulations of ion trajectories. The implantations were performed at 550 deg. C with a dose of 5 x 10 14 ions/cm 2 . In the case of Tm in Si, 25 at.% and 50 at.% of Tm are located in the tetrahedral interstitial site and in the random site, respectively and the rest takes the substitutional position. The assumption of the Gaussian distribution centered at the exact tetrahedral site with a standard deviation of 0.2 Angstroms reproduced the azimuth angular-scan spectrum around the [1 1 0] axis. However, the observed angular spectrum is significantly broader than the simulated one. This is probably due to the fact that there exist slightly different Tm lattice sites from the exact tetrahedral position. For Ge(1 1 1) substrates, 25 at.% of Tm occupied the tetrahedral interstitial site and the rest was located randomly

Superconducting fluctuation effect in CaFe0.88Co0.12AsF

Science.gov (United States)

Xiao, H.; Gao, B.; Ma, Y. H.; Li, X. J.; Mu, G.; Hu, T.

2016-11-01

Out-of-plane angular dependent torque measurements were performed on CaFe0.88Co0.12AsF single crystals. Superconducting fluctuations, featured by magnetic field enhanced and exponential temperature dependent diamagnetism, are observed above the superconducting transition temperature T c, which is similar to that of cuprate superconductors, but less pronounced. In addition, the ratio of T c versus superfluid density follows well the Uemura line of high-T c cuprates, which suggests the exotic nature of the superconductivity in CaFe0.88Co0.12AsF.

Impact of P and Sr on solidification sequence and morphology of hypoeutectic Al–Si alloys: Combined thermodynamic computation and phase-field simulation

International Nuclear Information System (INIS)

Eiken, Janin; Apel, Markus; Liang, Song-Mao; Schmid-Fetzer, Rainer

2015-01-01

Even small amounts of Phosphorus and Strontium strongly affect the microstructure of hypoeutectic Al–Si alloys. P is an unavoidable trace element in commercial Al-alloys which causes formation of AlP particles as potent nucleation sites for eutectic (Si). Sr, in contrast, is purposely added to modify the morphology of eutectic (Si) towards fine coral-like fibers. It is hypothesized that Sr does not only alter the growth kinetics of (Si), but additionally prevents detrimental (Si) nucleation due to neutralization of AlP particles by Al 2 Si 2 Sr formation. This presumes that both AlP and Al 2 Si 2 Sr precipitate prior to (Si). Using a newly assessed thermodynamic database for the Al–Si–Sr–P system, critical P and Sr thresholds for pre-silicon formation of AlP and Al 2 Si 2 Sr were evaluated and mapped under equilibrium and Scheil conditions. The competitive precipitation of AlP, Al 2 Si 2 Sr and (Si) and its impact on the evolution of the eutectic morphology was further studied by 3D phase-field simulations. Effective anisotropy functions for the (Si) interface mobility considered Sr-induced internal twinning. Depending on whether subcritical or supercritical P and Sr contents were selected, either a fine lamellar structure, a coarse flaky structure, or the targeted fine fibrous eutectic structure was reproduced

Functional characterization of endogenous siRNA target genes in Caenorhabditis elegans

Directory of Open Access Journals (Sweden)

Heikkinen Liisa

2008-06-01

Full Text Available Abstract Background Small interfering RNA (siRNA molecules mediate sequence specific silencing in RNA interference (RNAi, a gene regulatory phenomenon observed in almost all organisms. Large scale sequencing of small RNA libraries obtained from C. elegans has revealed that a broad spectrum of siRNAs is endogenously transcribed from genomic sequences. The biological role and molecular diversity of C. elegans endogenous siRNA (endo-siRNA molecules, nonetheless, remain poorly understood. In order to gain insight into their biological function, we annotated two large libraries of endo-siRNA sequences, identified their cognate targets, and performed gene ontology analysis to identify enriched functional categories. Results Systematic trends in categorization of target genes according to the specific length of siRNA sequences were observed: 18- to 22-mer siRNAs were associated with genes required for embryonic development; 23-mers were associated uniquely with post-embryonic development; 24–26-mers were associated with phosphorus metabolism or protein modification. Moreover, we observe that some argonaute related genes associate with siRNAs with multiple reads. Sequence frequency graphs suggest that different lengths of siRNAs share similarities in overall sequence structure: the 5' end begins with G, while the body predominates with U and C. Conclusion These results suggest that the lengths of endogenous siRNA molecules are consequential to their biological functions since the gene ontology categories for their cognate mRNA targets vary depending upon their lengths.

RELAP5 progress summary: simulation of semiscale isothermal blowdown (Test S-01-4A)

International Nuclear Information System (INIS)

Kuo, H.H.; Wagner, R.J.; Carlson, K.E.; Kiser, D.M.; Trapp, J.A.; Ransom, V.H.

1978-07-01

The RELAP5/MOD''O'' LOCA analysis code has been applied to Simulation of the Semiscale Isothermal Blowdown Test (S-01-4A) from initiation to 60 seconds. Subcooled ECC injection was simulated from 23 seconds until accumulator emptying. The calculated results are in very good agreement with the experimental data. This is the first full system application of the RELAP5 code and only the pressurizer surge line resistance was modified to achieve the results reported. An analysis of the code execution time using a time-step statistical edit is included

Experiment data report for semiscale Mod-1 Test S-01-5 (isothermal blowdown with core resistance simulator)

International Nuclear Information System (INIS)

Zender, S.N.; Crapo, H.S.; Jensen, M.F.; Sackett, K.E.

1975-04-01

Recorded test data are presented for Test S-01-5 of the semiscale Mod-1 isothermal blowdown test series. Test S-01-5 is one of several semiscale Mod-1 experiments which are counterparts of the LOFT nonnuclear experiments. System hardware is representative of LOFT with the design based on volumetric scaling methods and with initial conditions duplicating those identified for LOFT nonnuclear tests. Test S-01-5 was conducted with the secondary side of the steam generator pressurized with nitrogen gas in order to effectively eliminate heat transfer from the steam generator during blowdown and thereby to investigate the effect on overall system behavior of heat transfer from the steam generator. An orificed structure was used in the pressure vessel to simulate the LOFT core simulator. The test was initiated at isothermal conditions of 2270 psig and 540 0 F by a simulated offset shear of the cold leg broken loop piping. During system depressurization, coolant was injected into the cold leg of the operating loop to simulate emergency core cooling (ECC). Following the blowdown portion of the test, coolant spray was introduced into the pressure suppression tank to determine the response of the pressure suppression system. The uninterpreted data from Test S-01-5 and the reference material needed for future data analysis and test results reporting activities are presented. The data, presented in the form of graphs in engineering units, have been analyzed only to the extent necessary to assure that they are reasonable and consistent. (U.S.)

The impact of major alloying elements and refiner on the SDAS of Al-Si-Cu alloy; Der Einfluss von Hauptlegierungselementen und Kornfeinern auf den sekundaeren Dendritenarmabstand der Al-Si-Cu-Legierung

Energy Technology Data Exchange (ETDEWEB)

Djurdjevic, Mile; Byczynski, Glenn [Nemak Europe GmbH, Frankfurt am Main (Germany). Frankfurt Airport Center 1; Pavlovic, Jelena [Magdeburg Univ. (Germany). Inst. fuer Fertigungstechnik und Qualitaetssicherung

2009-02-15

This paper investigates the effect of some major alloying elements (silicon and copper) and the effect of grain refiner (titanium boride) on the size of the secondary dendrite arm spacing (SDAS) in series of Al-Si-Cu alloys. It has been shown that both silicon and copper have significant influence on this solidification parameter. The addition of grain refining master alloys to aluminium alloys is common practice in many commercial foundries aiming to reduce the grain size of Al-Si alloys. However, it was shown in the present paper that master alloy based on TiB had an unexpected impact on the SDAS, decreasing the size of SDAS. In addition, there is a minimum of SDAS corresponding to the presence of 0.12 wt% of titanium in Al-Si alloy. Such findings could have important implications for Al-Si alloys in particular, due to their wide spread applications in the automotive industry. (orig.)

Density-functional study of the structures and properties of holmium-doped silicon clusters HoSi n (n = 3-9) and their anions.

Science.gov (United States)

Hou, Liyuan; Yang, Jucai; Liu, Yuming

2017-04-01

The structures and properties of Ho-doped Si clusters, including their adiabatic electron affinities (AEAs), simulated photoelectron spectra (PESs), stabilities, magnetic moments, and charge-transfer characteristics, were systematically investigated using four density-functional methods. The results show that the double-hybrid functional (which includes an MP2 correlation component) can accurately predict the ground-state structure and properties of Ho-doped Si clusters. The ground-state structures of HoSi n (n = 3-9) are sextuplet electronic states. The structures of these Ho-doped Si clusters (aside from HoSi 7 ) are substitutional. The ground-state structures of HoSi n - are quintuplet electronic states. Their predicted AEAs are in excellent agreement with the experimental ones. The mean absolute error in the theoretical AEAs of HoSi n (n = 4-9) is only 0.04 eV. The simulated PESs for HoSi n - (n = 5-9) are in good agreement with the experimental PESs. Based on its simulated PES and theoretical AEA, we reassigned the experimental PES of HoSi 4 - and obtained an experimental AEA of 2.2 ± 0.1 eV. The dissociation energies of Ho from HoSi n and HoSi n - (n = 3-9) were evaluated to test the relative stabilities of the clusters. HOMO-LUMO gap analysis indicated that doping the Si clusters with the rare-earth metal atom significantly increases their photochemical reactivity. Natural population analysis showed that the magnetic moments of HoSi n (n = 3-9) and their anions derive mainly from the Ho atom. It was also found that the magnetic moments of Ho in the HoSi n clusters are larger than the magnetic moment of an isolated Ho atom.

First-principles study of point-defect production in Si and SiC

International Nuclear Information System (INIS)

Windl, W.; Lenosky, T.J.; Kress, J.D.; Voter, A.F.

1998-03-01

The authors have calculated the displacement-threshold energy E(d) for point-defect production in Si and SiC using empirical potentials, tight-binding, and first-principles methods. They show that -- depending on the knock-on direction -- 64-atom simulation cells can be sufficient to allow a nearly finite-size-effect-free calculation, thus making the use of first-principles methods possible. They use molecular dynamics (MD) techniques and propose the use of a sudden approximation which agrees reasonably well with the MD results for selected directions and which allows estimates of Ed without employing an MD simulation and the use of computationally demanding first-principles methods. Comparing the results with experiment, the authors find the full self-consistent first-principles method in conjunction with the sudden approximation to be a reliable and easy method to predict E d . Furthermore, they have examined the temperature dependence of E d for C in SiC and found it to be negligible

Applications of Si/SiGe heterostructures to CMOS devices

International Nuclear Information System (INIS)

Sidek, R.M.

1999-03-01

For more than two decades, advances in MOSFETs used in CMOS VLSI applications have been made through scaling to ever smaller dimensions for higher packing density, faster circuit speed and lower power dissipation. As scaling now approaches nanometer regime, the challenge for further scaling becomes greater in terms of technology as well as device reliability. This work presents an alternative approach whereby non-selectively grown Si/SiGe heterostructure system is used to improve device performance or to relax the technological challenge. SiGe is considered to be of great potential because of its promising properties and its compatibility with Si, the present mainstream material in microelectronics. The advantages of introducing strained SiGe in CMOS technology are examined through two types of device structure. A novel structure has been fabricated in which strained SiGe is incorporated in the source/drain of P-MOSFETs. Several advantages of the Si/SiGe source/drain P-MOSFETs over Si devices are experimentally, demonstrated for the first time. These include reduction in off-state leakage and punchthrough susceptibility, degradation of parasitic bipolar transistor (PBT) action, suppression of CMOS latchup and suppression of PBT-induced breakdown. The improvements due to the Si/SiGe heterojunction are supported by numerical simulations. The second device structure makes use of Si/SiGe heterostructure as a buried channel to enhance the hole mobility of P-MOSFETs. The increase in the hole mobility will benefit the circuit speed and device packing density. Novel fabrication processes have been developed to integrate non-selective Si/SiGe MBE layers into self-aligned PMOS and CMOS processes based on Si substrate. Low temperature processes have been employed including the use of low-pressure chemical vapor deposition oxide and plasma anodic oxide. Low field mobilities, μ 0 are extracted from the transfer characteristics, Id-Vg of SiGe channel P-MOSFETs with various Ge

FE simulation of the indentation deformation of SiC modified vinylester composites in respect to their abrasive wear performance

Directory of Open Access Journals (Sweden)

2008-10-01

Full Text Available The abrasive sliding friction and wear behaviours of silicon carbide (SiC filled vinylester (VE composites were investigated. The average grain size of the incorporated SiC particles was varied, holding the volume content of them in every case at 16 vol%. Mechanical properties (hardness, compression modulus, yield stress of the filled and neat VE were determined. The tribological properties were investigated in block (composite – on – ring (steel test configuration. The steel counter bodies were covered with abrasive papers of different graining. Coefficient of friction (COF and specific wear rate of the VE + SiC composites were determined. It was observed that the wear resistance increases with increasing average filler grain size and with decreasing abrasiveness of the counter surface. The COF of the VE + SiC composites is independent of the size of the incorporated particles, but it is strongly influenced by the abrasiveness of the counter body. The worn surfaces of the VE + SiC systems were analysed in scanning electron microscope (SEM to deduce the typical wear mechanisms. The size effect of the SiC filler particles onto the abrasive wear characteristics was investigated by assuming that the roughness peaks of the abrasive paper and the indenter of the microhardness test cause similar micro scaled contact deformations in the composites. Therefore FE method was used to simulate the micro scaled deformation process in the VE + SiC systems during microindentation tests. The FE results provided valuable information on how to explain the size effect of the incorporated SiC filler.

Utilization of a terrestrial cyanobacterium, Nostoc sp. HK-01, for space habitation

Science.gov (United States)

Kimura, Shunta; Tomita-Yokotani, Kaori; Arai, Mayumi; Yamashita, Masamichi; Katoh, Hiroshi; Ajioka, Reiko; Inoue, Kotomi

2016-07-01

A terrestrial cyanobacterium, Nostoc sp. HK-01 (hereafter HK-01), has several useful abilities for space habitation; photosynthesis, nitrogen fixation, and space environmental tolerances to vacuum, UV, gamma-ray, heavy particle beam, low and high temperature. Space environmental tolerances are important for transportation to Mars. HK-01 can grow on Martian regolith simulant (MRS) in vitro. Furthermore, HK-01 is useful as food. HK-01 may be utilized as oxygen supply, soil formation and food material for bio-chemical circulation in closed bio-ecosystems, including space habitation such as Mars. HK-01 was adopted as a biological material for the "TANPOPO" mission (JAXA et al.,), because of their high environmental tolerances. The "TANPOPO" mission is performing the space exposure experiments on the Japan Experimental Module (JEM) of the International Space Station (ISS). The results of these experiments will show the ability of HK-01 to survive in space.

Performance and Durability of Environmental Barrier Coatings on SiC/SiC Ceramic Matrix Composites

Science.gov (United States)

Zhu, Dongming; Harder, Bryan; Bhatt, Ramakrishna

2016-01-01

This presentation highlights advanced environmental barrier coating (EBC) and SiC-SiC Ceramic Matrix Composites (CMC) systems for next generation turbine engines. The emphasis will be placed on fundamental coating and CMC property evaluations; and the integrated system performance and degradation mechanisms in simulated laboratory turbine engine testing environments. Long term durability tests in laser rig simulated high heat flux the rmomechanical creep and fatigue loading conditions will also be presented. The results can help improve the future EBC-CMC system designs, validating the advanced EBC-CMC technologies for hot section turbine engine applications.

Comparison between Si/SiO_2 and InP/Al_2O_3 based MOSFETs

International Nuclear Information System (INIS)

Akbari Tochaei, A.; Arabshahi, H.; Benam, M. R.; Vatan-Khahan, A.; Abedininia, M.

2016-01-01

Electron transport properties of InP-based MOSFET as a new channel material with Al_2O_3 as a high-k dielectric oxide layer in comparison with Si-based MOSFET are studied by the ensemble Monte Carlo simulation method in which the conduction band valleys in InP are based on three valley models with consideration of quantum effects (effective potential approach). I_d–V_d characteristics for Si-based MOSFET are in good agreement with theoretical and experimental results. Our results show that I_d of InP-based MOSFET is about 2 times that of Si-based MOSFET. We simulated the diagrams of longitudinal and transverse electric fields, conduction band edge, average electron velocity, and average electron energy for Si-based MOSFET and compared the results with those for InP-based MOSFET. Our results, as was expected, show that the transverse electric field, the conduction band edge, the electron velocity, and the electron energy in a channel in the InP-based MOSFET are greater than those for Si-based MOSFET. But the longitudinal electric field behaves differently at different points of the channel.

Experiment data report for semiscale Mod-1 test S-01-1 (isothermal blowdown with core resistance simulator)

International Nuclear Information System (INIS)

Zender, S.N.; Crapo, H.S.; Jensen, M.F.; Sackett, K.E.

1975-04-01

Recorded test data are presented for Test S-01-1 of the semiscale Mod-1 isothermal blowdown test series. Test S-01-1 is one of several semiscale Mod-1 experiments which are counterparts of the planned Loss-of-Fluid Test (LOFT) nonnuclear experiments. System hardware is representative of the LOFT design, selected using volumetric scaling methods, and initial conditions duplicate those identified for the LOFT nonnuclear tests. Test S-01-1 was conducted from an initial temperature of 540 0 F and an initial pressure of 1596 psig. A simulated intermediate size double-ended hot leg break (0.00145 ft 2 break area on each end) was used to investigate the system response to a slow depressurization transient. An orificed structure was used in the pressure vessel to simulate the LOFT core simulator. During system depressurization, coolant was injected into the vessel downcomer inlet annulus to investigate the effectiveness of injection into the inlet annulus with respect to delivery of coolant to the lower plenum. Following the blowdown portion of Test S-01-1, coolant spray was introduced into the pressure suppression tank to determine the response of the pressure suppression system. The purpose of this report is to make available the uninterpreted data from Test S-01-1 for future data analysis and test results reporting activities. The data, presented in the form of graphs in engineering units, have been analyzed only to the extent necessary to assure that they are reasonable and consistent. (U.S.)

Effect of Si implantation on the microstructure of silicon nanocrystals and surrounding SiO2 layer

International Nuclear Information System (INIS)

Ross, G.G.; Smirani, R.; Levitcharsky, V.; Wang, Y.Q.; Veilleux, G.; Saint-Jacques, R.G.

2005-01-01

Si nanocrystals (Si-nc) embedded in a SiO 2 layer have been characterized by means of transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS). For local Si concentration in excess 8 x 10 21 Si + /cm 3 , the size of the Si-nc was found to be ∼3 nm and comparatively homogeneous throughout the whole implanted layer. For local Si concentration in excess of ∼2.4 x 10 22 Si + /cm 3 , the Si-nc diameter ranges from ∼2 to ∼12 nm in the sample, the Si-nc in the middle region of the implanted layer being bigger than those near the surface and the bottom of the layer. Also, Si-nc are visible deeper than the implanted depth. Characterization by XPS shows that a large quantity of oxygen was depleted from the first ∼25 nm in this sample (also visible on TEM image) and most of the SiO 2 bonds have been replaced by Si-O bonds. Experimental and simulation results suggest that a local Si concentration in excess of ∼3 x 10 21 Si/cm 3 is required for the production of Si-nc

Potential energy landscape of an interstitial O2 molecule in a SiO2 film near the SiO2/Si(001) interface

Science.gov (United States)

Ohta, Hiromichi; Watanabe, Takanobu; Ohdomari, Iwao

2008-10-01

Potential energy distribution of interstitial O2 molecule in the vicinity of SiO2/Si(001) interface is investigated by means of classical molecular simulation. A 4-nm-thick SiO2 film model is built by oxidizing a Si(001) substrate, and the potential energy of an O2 molecule is calculated at Cartesian grid points with an interval of 0.05 nm in the SiO2 film region. The result shows that the potential energy of the interstitial site gradually rises with approaching the interface. The potential gradient is localized in the region within about 1 nm from the interface, which coincides with the experimental thickness of the interfacial strained layer. The potential energy is increased by about 0.62 eV at the SiO2/Si interface. The result agrees with a recently proposed kinetic model for dry oxidation of silicon [Phys. Rev. Lett. 96, 196102 (2006)], which argues that the oxidation rate is fully limited by the oxidant diffusion.

Surface reactivity and hydroxyapatite formation on Ca5MgSi3O12 ceramics in simulated body fluid

Science.gov (United States)

Xu, Jian; Wang, Yaorong; Huang, Yanlin; Cheng, Han; Seo, Hyo Jin

2017-11-01

In this work, the new calcium-magnesium-silicate Ca5MgSi3O12 ceramic was made via traditional solid-state reaction. The bioactivities were investigated by immerging the as-made ceramics in simulated body fluid (SBF) for different time at body temperature (37 °C). Then the samples were taken to measure X-ray powder diffraction (XRD), Scanning electron microscopy (SEM), X-ray energy-dispersive spectra (EDS), and Fourier transform infrared spectroscopy (FT-IR) measurements. The bone-like hydroxyapatite nanoparticles formation was observed on the ceramic surfaces after the immersion in SBF solutions. Ca5MgSi3O12 ceramics possess the Young's modulus and the bending strength and of 96.3 ± 1.2 GPa and 98.7 ± 2.3 MPa, respectively. The data suggest that Ca5MgSi3O12 ceramics can quickly induce HA new layers after soaking in SBF. Ca5MgSi3O12 ceramics are potential to be used as biomaterials for bone-tissue repair. The cell adherence and proliferation experiments are conducted confirming the reliability of the ceramics as a potential candidate.

The analysis of transient noise of PCB P/G network based on PI/SI co-simulation

Science.gov (United States)

Haohang, Su

2018-02-01

With the frequency of the space camera become higher than before, the power noise of the imaging electronic system become the important factor. Much more power noise would disturb the transmissions signal, and even influence the image sharpness and system noise. "Target impedance method" is one of the traditional design method of P/G network (power and ground network), which is shorted of transient power noise analysis and often made "over design". In this paper, a new design method of P/G network is provided which simulated by PI/SI co-simulation. The transient power noise can be simulated and then applied in the design of noise reduction, thus effectively controlling the change of the noise in the P/G network. The method can efficiently control the number of adding decoupling capacitor, and is very efficient and feasible to keep the power integrity.

SiO2-Ta2O5 sputtering yields: simulated and experimental results

International Nuclear Information System (INIS)

Vireton, E.; Ganau, P.; Mackowski, J.M.; Michel, C.; Pinard, L.; Remillieux, A.

1994-09-01

To improve mirrors coating, we have modeled sputtering of binary oxide targets using TRIM code. First, we have proposed a method to calculate TRIM input parameters using on the one hand thermodynamic cycle and on the other hand Malherbe's results. Secondly, an iterative processing has provided for oxide steady targets caused by ionic bombardment. Thirdly, we have exposed a model to get experimental sputtering yields. Fourthly, for (Ar - SiO 2 ) pair, we have determined that steady target is a silica one. A good agreement between simulated and experimental yields versus ion incident angle has been found. For (Ar - Ta 2 O 5 ) pair, we have to introduce preferential sputtering concept to explain discrepancy between simulation and experiment. In this case, steady target is tantalum monoxide. For (Ar - Ta(+O 2 ) pair, tantalum sputtered by argon ions in reactive oxygen atmosphere, we have to take into account new concept of oxidation stimulated by ion beam. We have supposed that tantalum target becomes a Ta 2 O 5 one in reactive oxygen atmosphere. Then, following mechanism is similar to previous pair. We have obtained steady target of tantalum monoxide too. Comparison between simulated and experimental sputtering yields versus ion incident angle has given very good agreement. By simulation, we have found that tantalum monoxide target has at least 15 angstrom thickness. Those results are compatible with Malherbe's and Taglauer's ones. (authors)

Near-UV and blue wavelength excitable Mg{sub 0.6}Ca{sub 2.16}Mo{sub 0.2}W{sub 0.8}O{sub 6}: Eu{sub 0.12}{sup 3+}/Na{sub 0.12}{sup +} high efficiency red phosphors

Energy Technology Data Exchange (ETDEWEB)

Khanna, A. [Smart Lighting Engineering Research Center, Rensselaer Polytechnic Institute, Troy, NY 12180 (United States); Electrical Computer and Systems Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180 (United States); Dutta, P.S., E-mail: duttap@rpi.edu [Smart Lighting Engineering Research Center, Rensselaer Polytechnic Institute, Troy, NY 12180 (United States); Electrical Computer and Systems Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180 (United States)

2015-05-15

Red phosphors with narrow emission around 615 nm (with FWHM~5–10 nm) having chemical compositions of A{sub 0.6}Ca{sub 2.16}Mo{sub 0.2}W{sub 0.8}O{sub 6}: Eu{sub 0.12}{sup 3+}/Na{sub 0.12}{sup +} (A=Mg, Sr) have been found to exhibit the highest luminescence amongst the molybdate–tungstate family when excited by sources in the 380–420 nm wavelength range. Thus they are most suitable for enhancing color rendering index and lowering color temperature in phosphor converted white LEDs (pc-WLEDs) with near-UV/blue LED excitation sources. The excitation band edge in the near UV/blue wavelength in the reported phosphor has been attributed to the coordination environment of the transition metal ion (Mo{sup 6+}, W{sup 6+}) and host crystal structure. Furthermore the quantum efficiency of the phosphors has been enhanced by adjusting activator concentration, suitable compositional alloying using substitutional alkaline earth metal cations and charge compensation mechanisms. - Graphical abstract: The charge transfer excitation of orthorhombic Mg{sub 0.6}Ca{sub 2.16}Mo{sub 0.2}W{sub 0.8}O{sub 6}: Eu{sub 0.12}{sup 3+}/Na{sub 0.12}{sup +} is significantly higher than tetragonal CaMoO{sub 4}: Eu{sup 3+} phosphors making Mg{sub 0.6}Ca{sub 2.16}Mo{sub 0.2}W{sub 0.8}O{sub 6}: Eu{sub 0.12}{sup 3+}/Na{sub 0.12}{sup +} prime candidates for fabrication of warm white phosphor-converted LEDs. - Highlights: • LED excitable Mg{sub 0.6}Ca{sub 2.16}Mo{sub 0.2}W{sub 0.8}O{sub 6}: Eu{sub 0.12}{sup 3+}/Na{sub 0.12}{sup +} phosphors were synthesized. • These phosphors are 10 times more intense than CaMoO{sub 4}: Eu{sup 3+} red phosphors. • Their intensity and efficiency were enhanced by materials optimization techniques. • Such techniques include compositional alloying, charge compensation, etc.

Preparation, mechanical strengths, and thermal stability of Ni-Si-B and Ni-P-B amorphous wires

International Nuclear Information System (INIS)

Inoue, A.; Furukawa, S.; Hagiwara, M.; Masumoto, T.

1987-01-01

Ni-based amorphous wires with good bending ductility have been prepared for Ni/sub 75/Si/sub 8/B/sub 17/ and Ni/sub 78/P/sub 12/B/sub 10/ alloys containing 1 to 2 at. pct Al or Zr by melt spinning in rotating water. The enhancement of the wire-formation tendency by the addition of Al has been clarified to be due to the increase in the stability of the melt jet through the formation of a thin Al/sub 2/O/sub 3/ film on the outer surface. The maximum wire diameter is about 190 to 200 μm for the Ni-Si (or P)-B-Al alloys and increases to about 250 μm for the Ni-Si-B-Al-Cr alloys containing 4 to 6 at. pct Cr. The tensile fracture strength and fracture elongation are 2730 MPa and 2.9 pct for (N/sub 0.75/Si/sub 0.08/B/sub 0.17/)/sub 99/Al/sub 1/ wire and 2170 MPa and 2.4 pct for (Ni/sub 0.78/P/sub 0.12/B/sub 0.1/)/sub 99/Al/sub 1/ wire. These wires exhibit a fatigue limit under dynamic bending strain in air with a relative humidity of 65 pct; this limit is 0.50 pct for a NiSi-B-Al wire, which is higher by 0.15 pct than that of a Fe/sub 75/Si/sub 10/B/sub 15/ amorphous wire. Furthermore, the Ni-base wires do not fracture during a 180-deg bending even for a sample annealed at temperatures just below the crystallization temperature, in sharp contrast to high embrittlement tendency for Fe-base amorphous alloys. Thus, the Ni-based amorphous wires have been shown to be an attractive material similar to Fe- and Co-based amorphous wires because of its high static and dynamic strength, high ductility, high stability to thermal embrittlement, and good corrosion resistance

Examination Of Si-Ge Heterostructure Nanowire Growth Using Monte Carlo Simulation

International Nuclear Information System (INIS)

Nastovjak, A. G.; Neizvestny, I. G.; Shwartz, N. L.

2011-01-01

The process of Si-Ge heterostructures formation in nanowires (NWs) grown by vapor-liquid-solid mechanism was investigated using Monte Carlo simulation. Dependences of catalyst drop composition on temperature, flux intensity and nanowire diameter were obtained. Periodical oscillations of drop composition near mean value were observed. Oscillation results from layer-by-layer growth at the drop-whisker interface and necessity of supersaturation onset to start new layer formation. It was demonstrated that it is impossible to grow atomically abrupt axial heterojunctions via classical vapor-liquid-solid mechanism due to gradual change of catalyst drop composition when switching the fluxes. This phenomenon is the main reason of heterojunction blurriness. Junction abruptness was found to be dependent on nanowhisker diameter: in adsorption-induced growth mode abruptness of heterojunction decreases with diameter and in diffusion-induced mode it increases.

Investigation on the variation of channel resistance and contact resistance of SiZnSnO semiconductor depending on Si contents using transmission line method

Science.gov (United States)

Lee, Byeong Hyeon; Han, Sangmin; Lee, Sang Yeol

2018-01-01

Amorphous silicon-zinc-tin-oxide (a-SZTO) thin film transistors (TFTs) have been fabricated depending on the silicon ratio in channel layers. The a-SZTO TFT exhibited high electrical properties, such as high mobility of 23 cm2 V-1 s-1, subthreshold swing of 0.74 V/decade and ION/OFF of 2.8 × 108, despite of the addition of Si suppressor. The physical mechanism on the change of the sheet resistance and the contact resistance in a-SZTO TFT has been investigated and proposed closely related with the Si ratio. Both resistances were increased as increasing Si ratio, which clearly indicated that the role of Si is a carrier suppressor directly leading to the increase of channel and contact resistances. To explain the role of Si as a carrier suppressor, the conduction band offset mechanism has been also proposed depending on the change of carrier concentration in channel layer and at the interface between electrode and channel layer. 2007.01-2011.12 Senior Researcher at korea institute of science and technology (KOREA). 2008.01-2011.12 Professor at University of Science and Technology (KOREA). 1995.01-2007.12 Professor at Yonsei University (KOREA). 2002.01-2003.12 Inviting Researcher at Los Alamos National Lab (USA). 1993.01-1995.12 Senior Researcher at Electronics and Telecommunications Research Institute (KOREA). 1992.01-1993.01 Research Associate at State University of New York at Buffalo (USA).

Design and Simulation of A Novel Piezoelectric AlN-Si Cantilever Gyroscope

Directory of Open Access Journals (Sweden)

Jian Yang

2018-02-01

Full Text Available A novel design of piezoelectric aluminum nitride (AlN-Si composite cantilever gyroscope is proposed in this paper. The cantilever is stimulated to oscillate in plane by two inverse voltages which are applied on the two paralleled drive electrodes, respectively. The whole working principles are deduced, which based on the piezoelectric equation and elastic vibration equation. In this work, a cantilever gyroscope has been simulated and optimized by COMSOL Multiphysics 5.2a. The drive mode frequency is 87.422 kHz, and the sense mode frequency is 87.414 kHz. The theoretical sensitivity of this gyroscope is 0.145 pm/◦/s. This gyroscope has a small size and simple structure. It will be a better choice for the consumer electronics.

Surface-site-selective study of valence electronic structures of clean Si(100)-2x1 using Si-L23VV Auger electron-Si-2p photoelectron coincidence spectroscopy

International Nuclear Information System (INIS)

Kakiuchi, Takuhiro; Nagaoka, Shinichi; Hashimoto, Shogo; Fujita, Narihiko; Tanaka, Masatoshi; Mase, Kazuhiko

2010-01-01

Valence electronic structures of a clean Si(100)-2x1 surface are investigated in a surface-site-selective way using Si-L 23 VV Auger electron-Si-2p photoelectron coincidence spectroscopy. The Si-L 23 VV Auger electron spectra measured in coincidence with Si-2p photoelectrons emitted from the Si up-atoms or Si 2nd-layer of Si(100)-2x1 suggest that the position where the highest density of valence electronic states located in the vicinity of the Si up-atoms is shifted by 0.8 eV towards lower binding energy relative to that in the vicinity of the Si 2nd-layer. Furthermore, the valence band maximum in the vicinity of the Si up-atoms is indicated to be shifted by 0.1 eV towards lower binding energy relative to that in the vicinity of the Si 2nd-layer. These results are direct evidence of the transfer of negative charge from the Si 2nd-layer to the Si up-atoms. (author)

Predictable topography simulation of SiO2 etching by C5F8 gas combined with a plasma simulation, sheath model and chemical reaction model

International Nuclear Information System (INIS)

Takagi, S; Onoue, S; Iyanagi, K; Nishitani, K; Shinmura, T; Kanoh, M; Itoh, H; Shioyama, Y; Akiyama, T; Kishigami, D

2003-01-01

We have developed a simulation for predicting reactive ion etching (RIE) topography, which is a combination of plasma simulation, the gas reaction model, the sheath model and the surface reaction model. The simulation is applied to the SiO 2 etching process of a high-aspect-ratio contact hole using C 5 F 8 gas. A capacitively coupled plasma (CCP) reactor of an 8-in. wafer was used in the etching experiments. The baseline conditions are RF power of 1500 W and gas pressure of 4.0 Pa in a gas mixture of Ar, O 2 and C 5 F 8 . The plasma simulation reproduces the tendency that CF 2 radical density increases rapidly and the electron density decreases gradually with increasing gas flow rate of C 5 F 8 . In the RIE topography simulation, the etching profiles such as bowing and taper shape at the bottom are reproduced in deep holes with aspect ratios greater than 19. Moreover, the etching profile, the dependence of the etch depth on the etching time, and the bottom diameter can be predicted by this simulation

Magnetic properties of single crystalline Mn{sub 4}Si{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Gottlieb, U.; Sulpice, A.; Lambert-Andron, B.; Laborde, O

2003-10-27

A single crystal of MnSi{sub 2-x} was obtained by a modified Czochralski pulling technique in a cold copper crucible. The quality and the nature of the sample were checked by an accurate crystal structure determination, which revealed the sample to be Mn{sub 4}Si{sub 7}. Resistivity and magnetic measurements were performed on this sample in the temperature range between 2 K and room temperature and in magnetic fields up to 7.5 T. Mn{sub 4}Si{sub 7} shows a metallic behaviour and the good crystal quality was revealed by the high residual resistance ratio of 360. For the magnetic susceptibility we observed a Curie-Weiss law above about 40 K with a low effective moment of p{sub eff}=0.365 {mu}{sub B}/Mn. Below this temperature, moments order in an anisotropic helical state, and in fields above 1 T, they align with a saturation moment of p{sub sat}=0.012 {mu}{sub B}/Mn. Mn{sub 4}Si{sub 7} is a weak itinerant magnetic system that could be a good candidate for the observation of the critical quantum fluctuations expected for marginal Fermi liquids.

TH-A-BRD-01: Radiation Biology for Radiation Therapy Physicists

International Nuclear Information System (INIS)

Orton, C; Borras, C; Carlson, D

2014-01-01

Mechanisms by which radiation kills cells and ways cell damage can be repaired will be reviewed. The radiobiological parameters of dose, fractionation, delivery time, dose rate, and LET will be discussed. The linear-quadratic model for cell survival for high and low dose rate treatments and the effect of repopulation will be presented and discussed. The rationale for various radiotherapy techniques such as conventional fractionation, hyperfractionation, hypofractionation, and low and high dose rate brachytherapy, including permanent implants, will be presented. The radiobiological principles underlying radiation protection guidelines and the different radiation dosimetry terms used in radiation biology and in radiation protection will be reviewed. Human data on radiation induced cancer, including increases in the risk of second cancers following radiation therapy, as well as data on radiation induced tissue reactions, such as cardiovascular effects, for follow up times up to 20–40 years, published by ICRP, NCRP and BEIR Committees, will be examined. The latest risk estimates per unit dose will be presented. Their adoption in recent radiation protection standards and guidelines and their impact on patient and workers safety in radiotherapy will be discussed. Biologically-guided radiotherapy (BGRT) provides a systematic method to derive prescription doses that integrate patient-specific information about tumor and normal tissue biology. Treatment individualization based on patient-specific biology requires the identification of biological objective functions to facilitate the design and comparison of competing treatment modalities. Biological objectives provide a more direct approach to plan optimization instead of relying solely on dose-based surrogates and can incorporate factors that alter radiation response, such as DNA repair, tumor hypoxia, and relative biological effectiveness. We review concepts motivating biological objectives and provide examples of how

TH-A-BRD-01: Radiation Biology for Radiation Therapy Physicists

Energy Technology Data Exchange (ETDEWEB)

Orton, C [Wayne State University, Grosse Pointe, MI (United States); Borras, C [Radiological Physics and Health Services, Washington, DC (United States); Carlson, D [Yale University School of Medicine, New Haven, CT (United States)

2014-06-15

Mechanisms by which radiation kills cells and ways cell damage can be repaired will be reviewed. The radiobiological parameters of dose, fractionation, delivery time, dose rate, and LET will be discussed. The linear-quadratic model for cell survival for high and low dose rate treatments and the effect of repopulation will be presented and discussed. The rationale for various radiotherapy techniques such as conventional fractionation, hyperfractionation, hypofractionation, and low and high dose rate brachytherapy, including permanent implants, will be presented. The radiobiological principles underlying radiation protection guidelines and the different radiation dosimetry terms used in radiation biology and in radiation protection will be reviewed. Human data on radiation induced cancer, including increases in the risk of second cancers following radiation therapy, as well as data on radiation induced tissue reactions, such as cardiovascular effects, for follow up times up to 20–40 years, published by ICRP, NCRP and BEIR Committees, will be examined. The latest risk estimates per unit dose will be presented. Their adoption in recent radiation protection standards and guidelines and their impact on patient and workers safety in radiotherapy will be discussed. Biologically-guided radiotherapy (BGRT) provides a systematic method to derive prescription doses that integrate patient-specific information about tumor and normal tissue biology. Treatment individualization based on patient-specific biology requires the identification of biological objective functions to facilitate the design and comparison of competing treatment modalities. Biological objectives provide a more direct approach to plan optimization instead of relying solely on dose-based surrogates and can incorporate factors that alter radiation response, such as DNA repair, tumor hypoxia, and relative biological effectiveness. We review concepts motivating biological objectives and provide examples of how

Amplified spontaneous emission from ZnO in n-ZnO/ZnO nanodots-SiO(2) composite/p-AlGaN heterojunction light-emitting diodes.

Science.gov (United States)

Shih, Ying Tsang; Wu, Mong Kai; Li, Wei Chih; Kuan, Hon; Yang, Jer Ren; Shiojiri, Makoto; Chen, Miin Jang

2009-04-22

This study demonstrates amplified spontaneous emission (ASE) of the ultraviolet (UV) electroluminescence (EL) from ZnO at lambda~380 nm in the n-ZnO/ZnO nanodots-SiO(2) composite/p- Al(0.12)Ga(0.88)N heterojunction light-emitting diode. A SiO(2) layer embedded with ZnO nanodots was prepared on the p-type Al(0.12)Ga(0.88)N using spin-on coating of SiO(2) nanoparticles followed by atomic layer deposition (ALD) of ZnO. An n-type Al-doped ZnO layer was deposited upon the ZnO nanodots-SiO(2) composite layer also by the ALD technique. High-resolution transmission electron microscopy (HRTEM) reveals that the ZnO nanodots embedded in the SiO(2) matrix have diameters of 3-8 nm and the wurtzite crystal structure, which allows the transport of carriers through the thick ZnO nanodots-SiO(2) composite layer. The high quality of the n-ZnO layer was manifested by the well crystallized lattice image in the HRTEM picture and the low-threshold optically pumped stimulated emission. The low refractive index of the ZnO nanodots-SiO(2) composite layer results in the increase in the light extraction efficiency from n-ZnO and the internal optical feedback of UV EL into n-ZnO layer. Consequently, significant enhancement of the UV EL intensity and super-linear increase in the EL intensity, as well as the spectral narrowing, with injection current were observed owing to ASE in the n-ZnO layer.

Structure of layered C[sub 60] on Si(100) surface studied by ab initio and classical molecular dynamics simulations

Energy Technology Data Exchange (ETDEWEB)

Kawazoe, Yoshiyuki (Inst. for Materials Research, Tohoku Univ., Sendai (Japan)); Maruyama, Yutaka (Inst. for Materials Research, Tohoku Univ., Sendai (Japan)); Rafii-Tabar, H. (Inst. for Materials Research, Tohoku Univ., Sendai (Japan)); Ikeda, Makoto (Inst. for Materials Research, Tohoku Univ., Sendai (Japan)); Kamiyama, Hiroshi (Inst. for Materials Research, Tohoku Univ., Sendai (Japan)); Ohno, Kaoru (Inst. for Materials Research, Tohoku Univ., Sendai (Japan))

1993-04-19

The recent scanning tunnelling microscopy (STM) observations by Hashizume et al. concerning C[sub 60] buckeyballs deposited on an Si(100) surface revealed self-aligned c(4 x 4) and c(4 x 3) structures. Specific stripes on the buckeyballs in the STM images are also reported and this result proves that the buckeyballs on the Si surface are standing still, showing them to be pseudoatoms. A mixed-basis, all-electron calculation with the Car-Parinnello formalism has been introduced and performed to obtain a detailed understanding of the electronic states and dynamics of a single buckeyball. Based on the knowledge concerning a single buckeyball, a band structure calculation using the same formalism has been carried out and the experimental results have been explained clearly. A classical molecular dynamics simulation has also been performed to obtain the dynamics of the buckeyball motion on the Si surface. (orig.)

Computer Aided Multi-scale Design of SiC-Si3N4 Nanoceramic Composites for High-Temperature Structural Applications

Energy Technology Data Exchange (ETDEWEB)

Vikas Tomer; John Renaud

2010-08-31

It is estimated that by using better and improved high temperature structural materials, the power generation efficiency of the power plants can be increased by 15% resulting in significant cost savings. One such promising material system for future high-temperature structural applications in power plants is Silicon Carbide-Silicon Nitride (SiC-Si{sub 3}N{sub 4}) nanoceramic matrix composites. The described research work focuses on multiscale simulation-based design of these SiC-Si{sub 3}N{sub 4} nanoceramic matrix composites. There were two primary objectives of the research: (1) Development of a multiscale simulation tool and corresponding multiscale analyses of the high-temperature creep and fracture resistance properties of the SiC-Si{sub 3}N{sub 4} nanocomposites at nano-, meso- and continuum length- and timescales; and (2) Development of a simulation-based robust design optimization methodology for application to the multiscale simulations to predict the range of the most suitable phase morphologies for the desired high-temperature properties of the SiC-Si{sub 3}N{sub 4} nanocomposites. The multiscale simulation tool is based on a combination of molecular dynamics (MD), cohesive finite element method (CFEM), and continuum level modeling for characterizing time-dependent material deformation behavior. The material simulation tool is incorporated in a variable fidelity model management based design optimization framework. Material modeling includes development of an experimental verification framework. Using material models based on multiscaling, it was found using molecular simulations that clustering of the SiC particles near Si{sub 3}N{sub 4} grain boundaries leads to significant nanocomposite strengthening and significant rise in fracture resistance. It was found that a control of grain boundary thicknesses by dispersing non-stoichiometric carbide or nitride phases can lead to reduction in strength however significant rise in fracture strength. The

Si and C interactions in the world ocean: Importance of ecological processes and implications for the role of diatoms in the biological pump

Science.gov (United States)

Ragueneau, Olivier; Schultes, Sabine; Bidle, Kay; Claquin, Pascal; Moriceau, BrivaëLa

2006-12-01

Diatoms play a major role in carbon export from surface waters, but their role in the transport of carbon to the deep sea has been questioned by global analyses of sediment trap fluxes which suggest that organic carbon fluxes and transfer efficiencies through the mesopelagic are tightly correlated with CaCO3 (Klaas and Archer, 2002; François et al., 2002). Here we explore the role of diatoms in the biological pump through a study of Si and C interactions from the molecular to the global scale. Recent findings on molecular interactions between Si and C are reviewed. The roles of bacteria, grazers and aggregation are explored and combined, to account for the extent of Si and C decoupling between surface waters and 1000 m, observed to be very homogeneous in different biogeochemical provinces of the ocean. It is suggested that the mesopelagic food web plays a crucial role in this homogeneity: Sites of high export are also sites where diatom C is being either remineralized or channeled toward the long-lived carbon pool most efficiently in the mesopelagic zone. The amount of carbon participating in the biological pump but not collected in sediment traps remains to be explored. It is also demonstrated that statistical analyses performed at global scales hide spatial variability in carrying coefficients, indicating a clear need to understand the mechanisms that control spatial and temporal variations in the relative importance of ballast minerals and other export mechanisms such as particle dynamics.

Simulated experiment for elimination of chemical and biological warfare agents by making use of microwave plasma torch

International Nuclear Information System (INIS)

Hong, Yong C.; Kim, Jeong H.; Uhm, Han S.

2004-01-01

The threat of chemical and biological warfare agents in a domestic terrorist attack and in military conflict is increasing worldwide. Elimination and decontamination of chemical and biological warfare (CBW) agents are immediately required after such an attack. Simulated experiment for elimination of CBW agents by making use of atmospheric-pressure microwave plasma torches is carried out. Elimination of biological warfare agents indicated by the vitrification or burnout of sewage sludge powders and decomposition of toluene gas as a chemical agent stimulant are presented. A detailed characterization for the elimination of the simulant chemicals using Fourier transform infrared and gas chromatography is also presented

Simulated experiment for elimination of chemical and biological warfare agents by making use of microwave plasma torch

Science.gov (United States)

Hong, Yong C.; Kim, Jeong H.; Uhm, Han S.

2004-02-01

The threat of chemical and biological warfare agents in a domestic terrorist attack and in military conflict is increasing worldwide. Elimination and decontamination of chemical and biological warfare (CBW) agents are immediately required after such an attack. Simulated experiment for elimination of CBW agents by making use of atmospheric-pressure microwave plasma torches is carried out. Elimination of biological warfare agents indicated by the vitrification or burnout of sewage sludge powders and decomposition of toluene gas as a chemical agent stimulant are presented. A detailed characterization for the elimination of the simulant chemicals using Fourier transform infrared and gas chromatography is also presented.

Oxidation of SiC/BN/SiC Composites in Reduced Oxygen Partial Pressures

Science.gov (United States)

Opila, Elizabeth J.; Boyd, Meredith

2010-01-01

SiC fiber-reinforced SiC composites with a BN interphase are proposed for use as leading edge structures of hypersonic vehicles. The durability of these materials under hypersonic flight conditions is therefore of interest. Thermogravimetric analysis was used to characterize the oxidation kinetics of both the constituent fibers and composite coupons at four temperatures: 816, 1149, 1343, and 1538 C (1500, 2100, 2450, and 2800 F) and in oxygen partial pressures between 5% and 0.1% (balance argon) at 1 atm total pressure. One edge of the coupons was ground off so the effects of oxygen ingress into the composite could be monitored by post-test SEM and EDS. Additional characterization of the oxidation products was conducted by XPS and TOF-SIMS. Under most conditions, the BN oxidized rapidly, leading to the formation of borosilicate glass. Rapid initial oxidation followed by volatilization of boria lead to protective oxide formation and further oxidation was slow. At 1538C in 5% oxygen, both the fibers and coupons exhibited borosilicate glass formation and bubbling. At 1538C in 0.1% oxygen, active oxidation of both the fibers and the composites was observed leading to rapid SiC degradation. BN oxidation at 1538C in 0.1% oxygen was not significant.

Simulation of biological flow and transport in complex geometries using embedded boundary/volume-of-fluid methods

International Nuclear Information System (INIS)

Trebotich, David

2007-01-01

We have developed a simulation capability to model multiscale flow and transport in complex biological systems based on algorithms and software infrastructure developed under the SciDAC APDEC CET. The foundation of this work is a new hybrid fluid-particle method for modeling polymer fluids in irregular microscale geometries that enables long-time simulation of validation experiments. Both continuum viscoelastic and discrete particle representations have been used to model the constitutive behavior of polymer fluids. Complex flow environment geometries are represented on Cartesian grids using an implicit function. Direct simulation of flow in the irregular geometry is then possible using embedded boundary/volume-of-fluid methods without loss of geometric detail. This capability has been used to simulate biological flows in a variety of application geometries including biomedical microdevices, anatomical structures and porous media

High temperature piezoresistive {beta}-SiC-on-SOI pressure sensor for combustion engines

Energy Technology Data Exchange (ETDEWEB)

Berg, J. von; Ziermann, R.; Reichert, W.; Obermeier, E. [Tech. Univ. Berlin (Germany). Microsensor and Actuator Technol. Center; Eickhoff, M.; Kroetz, G. [Daimler Benz AG, Munich (Germany); Thoma, U.; Boltshauser, T.; Cavalloni, C. [Kistler Instrumente AG, Winterthur (Switzerland); Nendza, J.P. [TRW Deutschland GmbH, Barsinghausen (Germany)

1998-08-01

For measuring the cylinder pressure in combustion engines of automobiles a high temperature pressure sensor has been developed. The sensor is made of a membrane based piezoresistive {beta}-SiC-on-SOI (SiCOI) sensor chip and a specially designed housing. The SiCOI sensor was characterized under static pressures of up to 200 bar in the temperature range between room temperature and 300 C. The sensitivity of the sensor at room temperature is approximately 0.19 mV/bar and decreases to about 0.12 mV/bar at 300 C. For monitoring the dynamic cylinder pressure the sensor was placed into the combustion chamber of a gasoline engine. The measurements were performed at 1500 rpm under different loads, and for comparison a quartz pressure transducer from Kistler AG was used as a reference. The maximum pressure at partial load operation amounts to about 15 bar. The difference between the calibrated SiCOI sensor and the reference sensor is significantly less than 1 bar during the whole operation. (orig.) 8 refs.

Isotopic effects in sub-barrier fusion of Si + Si systems

Science.gov (United States)

Colucci, G.; Montagnoli, G.; Stefanini, A. M.; Esbensen, H.; Bourgin, D.; Čolović, P.; Corradi, L.; Faggian, M.; Fioretto, E.; Galtarossa, F.; Goasduff, A.; Grebosz, J.; Haas, F.; Mazzocco, M.; Scarlassara, F.; Stefanini, C.; Strano, E.; Szilner, S.; Urbani, M.; Zhang, G. L.

2018-04-01

Background: Recent measurements of fusion cross sections for the 28Si+28Si system revealed a rather unsystematic behavior; i.e., they drop faster near the barrier than at lower energies. This was tentatively attributed to the large oblate deformation of 28Si because coupled-channels (CC) calculations largely underestimate the 28Si+28Si cross sections at low energies, unless a weak imaginary potential is applied, probably simulating the deformation. 30Si has no permanent deformation and its low-energy excitations are of a vibrational nature. Previous measurements of this system reached only 4 mb, which is not sufficient to obtain information on effects that should show up at lower energies. Purpose: The aim of the present experiment was twofold: (i) to clarify the underlying fusion dynamics by measuring the symmetric case 30Si+30Si in an energy range from around the Coulomb barrier to deep sub-barrier energies, and (ii) to compare the results with the behavior of 28Si+28Si involving two deformed nuclei. Methods: 30Si beams from the XTU tandem accelerator of the Laboratori Nazionali di Legnaro of the Istituto Nazionale di Fisica Nucleare were used, bombarding thin metallic 30Si targets (50 μ g /cm2) enriched to 99.64 % in mass 30. An electrostatic beam deflector allowed the detection of fusion evaporation residues (ERs) at very forward angles, and angular distributions of ERs were measured. Results: The excitation function of 30Si+30Si was measured down to the level of a few microbarns. It has a regular shape, at variance with the unusual trend of 28Si+28Si . The extracted logarithmic derivative does not reach the LCS limit at low energies, so that no maximum of the S factor shows up. CC calculations were performed including the low-lying 2+ and 3- excitations. Conclusions: Using a Woods-Saxon potential the experimental cross sections at low energies are overpredicted, and this is a clear sign of hindrance, while the calculations performed with a M3Y + repulsion

A simple transferable adaptive potential to study phase separation in large-scale xMgO-(1-x)SiO2 binary glasses.

Science.gov (United States)

Bidault, Xavier; Chaussedent, Stéphane; Blanc, Wilfried

2015-10-21

A simple transferable adaptive model is developed and it allows for the first time to simulate by molecular dynamics the separation of large phases in the MgO-SiO2 binary system, as experimentally observed and as predicted by the phase diagram, meaning that separated phases have various compositions. This is a real improvement over fixed-charge models, which are often limited to an interpretation involving the formation of pure clusters, or involving the modified random network model. Our adaptive model, efficient to reproduce known crystalline and glassy structures, allows us to track the formation of large amorphous Mg-rich Si-poor nanoparticles in an Mg-poor Si-rich matrix from a 0.1MgO-0.9SiO2 melt.

Simulation and optimization of a coking wastewater biological treatment process by activated sludge models (ASM).

Science.gov (United States)

Wu, Xiaohui; Yang, Yang; Wu, Gaoming; Mao, Juan; Zhou, Tao

2016-01-01

Applications of activated sludge models (ASM) in simulating industrial biological wastewater treatment plants (WWTPs) are still difficult due to refractory and complex components in influents as well as diversity in activated sludges. In this study, an ASM3 modeling study was conducted to simulate and optimize a practical coking wastewater treatment plant (CWTP). First, respirometric characterizations of the coking wastewater and CWTP biomasses were conducted to determine the specific kinetic and stoichiometric model parameters for the consecutive aeration-anoxic-aeration (O-A/O) biological process. All ASM3 parameters have been further estimated and calibrated, through cross validation by the model dynamic simulation procedure. Consequently, an ASM3 model was successfully established to accurately simulate the CWTP performances in removing COD and NH4-N. An optimized CWTP operation condition could be proposed reducing the operation cost from 6.2 to 5.5 €/m(3) wastewater. This study is expected to provide a useful reference for mathematic simulations of practical industrial WWTPs. Copyright © 2015 Elsevier Ltd. All rights reserved.

Microstructural control of Ti-46Al-7Nb-0.7Cr-0.2Ni-0.1Si alloy by heat treatment

International Nuclear Information System (INIS)

Hasegawa, Makoto; Nomura, Takuya; Haga, Hideki; Fukutomi, Hiroshi; Dlouhy, Ivo; Brno University of Technology

2014-01-01

The effects of holding temperature, time and cooling rate on the microstructure of Ti-46Al-7Nb-0.7Cr-0.2Ni-0.1Si (at.%) alloys are studied. Three kinds of segregations are found in the as-cast material. In back scattered electron images these segregations are observed as dark regions formed by the solidification process, bright regions with irregular shaped blocks and imaged regions of lighter contrast formed by the cooling process from β phase to α phase and from α phase to (β + γ) two phase or (α + β + γ) three phase, respectively. Addition of small amounts of Cr, Ni and Si to the Ti-45Al-7Nb alloy shifts the (β + γ) two phase state and (α + γ + β) three phase state to a lower Nb concentration range. While cooling from the α single phase state to the (β + γ) two phase or (α + β + γ) three phase states, sequential type phase transformation occurs. The amounts of Cr, Ni and Si are too small to induce the pearlitic mode of transformation. Therefore, the sequential mode of the ternary alloy containing Nb occurs. The microstructures change depending on the cooling rate from α? single phase region. Massive transformation occurs in the range of 300 K s -1 to 50 K s -1 . However, the α phase is partially retained at the cooling rate of 300 K s -1 . A fully lamellar structure appears at cooling rates lower than 10 K s -1 .

Microstructural control of Ti-46Al-7Nb-0.7Cr-0.2Ni-0.1Si alloy by heat treatment

Energy Technology Data Exchange (ETDEWEB)

Hasegawa, Makoto; Nomura, Takuya; Haga, Hideki; Fukutomi, Hiroshi [Yokohama National University (Japan). Div. of Materials Science and Chemical Engineering; Dlouhy, Ivo [Institute of Physics of Materials, Brno (Czech Republic); Brno University of Technology (Czech Republic). Inst. of Materials Science and Engineering

2014-11-15

The effects of holding temperature, time and cooling rate on the microstructure of Ti-46Al-7Nb-0.7Cr-0.2Ni-0.1Si (at.%) alloys are studied. Three kinds of segregations are found in the as-cast material. In back scattered electron images these segregations are observed as dark regions formed by the solidification process, bright regions with irregular shaped blocks and imaged regions of lighter contrast formed by the cooling process from β phase to α phase and from α phase to (β + γ) two phase or (α + β + γ) three phase, respectively. Addition of small amounts of Cr, Ni and Si to the Ti-45Al-7Nb alloy shifts the (β + γ) two phase state and (α + γ + β) three phase state to a lower Nb concentration range. While cooling from the α single phase state to the (β + γ) two phase or (α + β + γ) three phase states, sequential type phase transformation occurs. The amounts of Cr, Ni and Si are too small to induce the pearlitic mode of transformation. Therefore, the sequential mode of the ternary alloy containing Nb occurs. The microstructures change depending on the cooling rate from α? single phase region. Massive transformation occurs in the range of 300 K s{sup -1} to 50 K s{sup -1}. However, the α phase is partially retained at the cooling rate of 300 K s{sup -1}. A fully lamellar structure appears at cooling rates lower than 10 K s{sup -1}.

III-V/Si Tandem Cells Utilizing Interdigitated Back Contact Si Cells and Varying Terminal Configurations: Preprint

Energy Technology Data Exchange (ETDEWEB)

Schnabel, Manuel; Klein, Talysa R.; Jain, Nikhil; Essig, Stephanie; Schulte-Huxel, Henning; Warren, Emily; van Hest, Maikel F. A. M.; Geisz, John; Stradins, Paul; Tamboli, Adele; Rienacker, Michael; Merkle, Agnes; Schmidt, Jan; Brendel, Rolf; Peibst, Robby

2017-07-11

Solar cells made from bulk crystalline silicon (c-Si) dominate the market, but laboratory efficiencies have stagnated because the current record efficiency of 26.3% is already very close to the theoretical limit of 29.4% for a single-junction c-Si cell. In order to substantially boost the efficiency of Si solar cells we have been developing stacked III-V/Si tandem cells, recently attaining efficiencies above 32% in four-terminal configuration. In this contribution, we use state-of-the-art III-V cells coupled with equivalent circuit simulations to compare four-terminal (4T) to three- and two-terminal (3T, 2T) operation. Equivalent circuit simulations are used to show that tandem cells can be operated just as efficiently using three terminals as with four terminals. However, care must be taken not to overestimate 3T efficiency, as the two circuits used to extract current interact, and a method is described to accurately determine this efficiency. Experimentally, a 4T GaInP/Si tandem cell utilizing an interdigitated back contact cell is shown, exhibiting a 4T efficiency of 31.5% and a 2T efficiency of 28.1%. In 3T configuration, it is used to verify the finding from simulation that 3T efficiency is overestimated when interactions between the two circuits are neglected. Considering these, a 3T efficiency approaching the 4T efficiency is found, showing that 3T operation is efficient, and an outlook on fully integrated high-efficiency 3T and 2T tandem cells is given.

Biological, chemical, geological, and other data were collected from the R/V KITTIWAKE at 100 sites in Puget Sound from 01 June 1998 to 01 July 1998 as part of a three-year study of toxins (NODC Accession 0000425)

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — Biological, chemical, geological, and other data were collected from the R/V Kittiwait from 01 June 1998 to 01 July 1998. Data were submitted by the Washington State...

Viscosity and Structure of CaO-SiO2-P2O5-FetO System with Varying P2O5 and FeO Content

Science.gov (United States)

Diao, Jiang; Gu, Pan; Liu, De-Man; Jiang, Lu; Wang, Cong; Xie, Bing

2017-10-01

A rotary viscosimeter and Raman spectrum were employed to measure the viscosity and structural information of the CaO-SiO2-P2O5-FetO system at 1673 K. The experimental data have been compared with the calculated results using different viscosity models. It shows that the National Physical Laboratory (NPL) and Pal models fit the CaO-SiO2-P2O5-FeOt system better. With the P2O5 content increasing from 5% to 14%, the viscosity increases from 0.12 Pa s to 0.27 Pa s. With the FeO content increasing from 30% to 40%, the viscosity decreases from 0.21 Pa s to 0.12 Pa s. Increasing FeO content makes the complicated molten melts become simple, and increasing P2O5 content will complicate the molten melts. The linear relation between viscosity and structure parameter Q(Si + P) was obtained by regression analysis. The calculated viscosity by using the optimized NPL and Pal model are almost identical with the fitted values.

Effects of MeV Si ions bombardment on the thermoelectric generator from SiO{sub 2}/SiO{sub 2} + Cu and SiO{sub 2}/SiO{sub 2} + Au nanolayered multilayer films

Energy Technology Data Exchange (ETDEWEB)

Budak, S., E-mail: satilmis.budak@aamu.edu [Department of Electrical Engineering, Alabama A and M University, Normal, AL (United States); Chacha, J., E-mail: chacha_john79@hotmail.com [Department of Electrical Engineering, Alabama A and M University, Normal, AL (United States); Smith, C., E-mail: cydale@cim.aamu.edu [Center for Irradiation of Materials, Alabama A and M University, Normal, AL (United States); Department of Physics, Alabama A and M University, Normal, AL (United States); Pugh, M., E-mail: marcuspughp@yahoo.com [Department of Electrical Engineering, Alabama A and M University, Normal, AL (United States); Colon, T. [Department of Mechanical Engineering, Alabama A and M University, Normal, AL (United States); Heidary, K., E-mail: kaveh.heidary@aamu.edu [Department of Electrical Engineering, Alabama A and M University, Normal, AL (United States); Johnson, R.B., E-mail: barry@w4wb.com [Department of Physics, Alabama A and M University, Normal, AL (United States); Ila, D., E-mail: ila@cim.aamu.edu [Center for Irradiation of Materials, Alabama A and M University, Normal, AL (United States); Department of Physics, Alabama A and M University, Normal, AL (United States)

2011-12-15

The defects and disorder in the thin films caused by MeV ions bombardment and the grain boundaries of these nanoscale clusters increase phonon scattering and increase the chance of an inelastic interaction and phonon annihilation. We prepared the thermoelectric generator devices from 100 alternating layers of SiO{sub 2}/SiO{sub 2} + Cu multi-nano layered superlattice films at the total thickness of 382 nm and 50 alternating layers of SiO{sub 2}/SiO{sub 2} + Au multi-nano layered superlattice films at the total thickness of 147 nm using the physical vapor deposition (PVD). Rutherford Backscattering Spectrometry (RBS) and RUMP simulation have been used to determine the stoichiometry of the elements of SiO{sub 2}, Cu and Au in the multilayer films and the thickness of the grown multi-layer films. The 5 MeV Si ions bombardments have been performed using the AAMU-Center for Irradiation of Materials (CIM) Pelletron ion beam accelerator to make quantum (nano) dots and/or quantum (quantum) clusters in the multilayered superlattice thin films to decrease the cross plane thermal conductivity, increase the cross plane Seebeck coefficient and cross plane electrical conductivity. To characterize the thermoelectric generator devices before and after Si ion bombardments we have measured Seebeck coefficient, cross-plane electrical conductivity, and thermal conductivity in the cross-plane geometry for different fluences.

Implantation of P ions in SiO2 layers with embedded Si nanocrystals

International Nuclear Information System (INIS)

Kachurin, G.A.; Cherkova, S.G.; Volodin, V.A.; Kesler, V.G.; Gutakovsky, A.K.; Cherkov, A.G.; Bublikov, A.V.; Tetelbaum, D.I.

2004-01-01

The effect of 10 13 -10 16 cm -2 P ions implantation and of subsequent annealing on Si nanocrystals (Si-ncs), formed preliminarily in SiO 2 layers by the ion-beam synthesis, has been studied. Photoluminescence (PL), Raman spectroscopy, high resolution electron microscopy (HREM), X-Ray Photoelectron Spectroscopy (XPS) and optical absorption were used for characterizations. The low fluence implantations have shown even individual displacements in Si-ncs quench their PL. Restoration of PL from partly damaged Si-ncs proceeds at annealing less than 1000 deg. C. In the low fluence implanted and annealed samples an increased Si-ncs PL has been found and ascribed to the radiation-induced shock crystallization of stressed Si nanoprecipitates. Annealing at temperatures under 1000 deg. C are inefficient when P ion fluences exceed 10 14 cm -2 , thus becoming capable to amorphize Si-ncs. High crystallization temperature of the amorphized Si-ncs is attributed to a counteraction of their shell layers. After implantation of the highest P fluences an enhanced recovery of PL was found from P concentration over 0.1 at.%. Raman spectroscopy and HREM showed an increased Si-ncs number in such layers. The effect resembles the impurity-enhanced crystallization, known for heavily doped bulk Si. This effect, along with the data obtained by XPS, is considered as an indication P atoms are really present inside the Si-ncs. However, no evidence of free electrons appearance has been observed. The fact is explained by an increased interaction of electrons with the donor nuclei in Si-ncs

The Immunogenicity of a Biological Simulant: Strategies for the Improvement of Antibody-Based Detection

National Research Council Canada - National Science Library

Grahame, David A; Gencic, Simonida; Bronk, Burt V

2005-01-01

.... The bacterium Pantoea agglomerans (formerly Erwinia herbicola, Eh) presently is used to simulate vegetative biological agents, however, anti-Eh antibodies of high affinity and specificity are needed...

Effect of grain refinement on the fluidity of two commercial Al-Si foundry alloys

Science.gov (United States)

Dahle, A. K.; Tøndel, P. A.; Paradies, C. J.; Arnberg, L.

1996-08-01

The effect of grain refinement on the fluidity of AlSi7Mg and AlSi11Mg has been investigated by spiral tests. Two different types of grain refiners have been evaluated. An AlTi5Bl master alloy was added to different Ti contents. Since the commercial alloys had a high initial content of titanium, model alloys were made to investigate the fluidity at low grain refiner additions. Commercial alloys grain refined only by boron additions have also been investigated. The results from the fluidity measurements have been verified by measuring the dendrite coherency point of the different cast alloys. Although different, the two methods show similar trends. The spirals from each fraction grain refiner cast were subsequently investigated metallographically at the tip of the spirals and at a reference point a distance behind, but no obvious difference in structure was observed. For both alloys, an increase in fluidity is observed as the content of grain refiner increases above 0.12 pct Ti, while the fluidity is impaired with increased grain refinement below 0.12 pct Ti. The alloys grain refined with ~0.015 pct B show the highest fraction solid at dendrite coherency, the smallest grain size, and the best fluidity.

Atomic scale Monte Carlo simulations of BF3 plasma immersion ion implantation in Si

International Nuclear Information System (INIS)

La Magna, Antonino; Fisicaro, Giuseppe; Nicotra, Giuseppe; Spiegel, Yohann; Torregrosa, Frank

2014-01-01

We present a numerical model aimed to accurately simulate the plasma immersion ion implantation (PIII) process in micro and nano-patterned Si samples. The code, based on the Monte Carlo approach, is designed to reproduce all the relevant physical phenomena involved in the process. The particle based simulation technique is fundamental to efficiently compute the material modifications promoted by the plasma implantation at the atomic resolution. The accuracy in the description of the process kinetic is achieved linking (one to one) each virtual Monte Carlo event to each possible atomic phenomenon (e.g. ion penetration, neutral absorption, ion induced surface modification, etc.). The code is designed to be coupled with a generic plasma status, characterized by the particle types (ions and neutrals), their flow rates and their energy/angle distributions. The coupling with a Poisson solver allows the simulation of the correct trajectories of charged particles in the void regions of the micro-structures. The implemented model is able to predict the implantation 2D profiles and significantly support the process design. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Computational studies of physical properties of Nb-Si based alloys

Energy Technology Data Exchange (ETDEWEB)

Ouyang, Lizhi [Middle Tennessee State Univ., Murfreesboro, TN (United States)

2015-04-16

The overall goal is to provide physical properties data supplementing experiments for thermodynamic modeling and other simulations such as phase filed simulation for microstructure and continuum simulations for mechanical properties. These predictive computational modeling and simulations may yield insights that can be used to guide materials design, processing, and manufacture. Ultimately, they may lead to usable Nb-Si based alloy which could play an important role in current plight towards greener energy. The main objectives of the proposed projects are: (1) developing a first principles method based supercell approach for calculating thermodynamic and mechanic properties of ordered crystals and disordered lattices including solid solution; (2) application of the supercell approach to Nb-Si base alloy to compute physical properties data that can be used for thermodynamic modeling and other simulations to guide the optimal design of Nb-Si based alloy.

Validated thermodynamic prediction of AlP and eutectic (Si) solidification sequence in Al-Si cast alloys

International Nuclear Information System (INIS)

Liang, S M; Schmid-Fetzer, R

2016-01-01

The eutectic microstructure in hypoeutectic Al-Si cast alloys is strongly influenced by AlP particles which are potent nuclei for the eutectic (Si) phase. The solidification sequence of AlP and (Si) phases is, thus, crucial for the nucleation of eutectic silicon with marked impact on its morphology. This study presents this interdependence between Si- and P-compositions, relevant for Al-Si cast alloys, on the solidification sequence of AlP and (Si). These data are predicted from a series of thermodynamic calculations. The predictions are based on a self-consistent thermodynamic description of the Al-Si-P ternary alloy system developed recently. They are validated by independent experimental studies on microstructure and undercooling in hypoeutectic Al-Si alloys. A constrained Scheil solidification simulation technique is applied to predict the undercooling under clean heterogeneous nucleation conditions, validated by dedicated experimental observations on entrained droplets. These specific undercooling values may be very large and their quantitative dependence on Si and P content of the Al alloy is presented. (paper)

Magnetocaloric effect in La(FexSi1-x)13 doped with hydrogen and under external pressure

International Nuclear Information System (INIS)

Medeiros, L.G. de; Oliveira, N.A. de

2006-01-01

In this paper, we calculate the magnetocaloric effect in the compounds La(Fe x Si 1-x ) 13 doped with hydrogen and subjected to external pressure. We use a microscopical model where the Coulomb interaction between itinerant electrons is treated in the mean field approach. The effect of hydrogen atoms is considered as a chemical pressure. We also include phenomenologically the magnetoelastic coupling via the renormalization of the electron dispersion relation and the Debye temperature. The calculated isothermal entropy changes upon magnetic field variations for the compound La(Fe 0.88 Si 0.12 ) 13 H y are in good agreement with the available experimental data

NCBI nr-aa BLAST: CBRC-TTRU-01-0103 [SEVENS

Lifescience Database Archive (English)

Full Text Available CBRC-TTRU-01-0103 ref|YP_001678281.1| hypothetical protein Fphi_1554 [Francisella philomiragia subsp. philo...miragia ATCC 25017] ref|ZP_04755921.1| hypothetical protein FphipA2_06231 [Francisella philo...miragia subsp. philomiragia ATCC 25015] ref|ZP_05249586.1| conserved hypothetical protein [Francisella philo...ical membrane protein [Francisella philomiragia subsp. philomiragia ATCC 25017] gb|EET21311.1| conserved hyp...othetical protein [Francisella philomiragia subsp. philomiragia ATCC 25015] YP_001678281.1 0.012 24% ...

Operation and Modulation of H7 Current Source Inverter with Hybrid SiC and Si Semiconductor Switches

DEFF Research Database (Denmark)

Wang, Weiqi; Gao, Feng; Yang, Yongheng

2018-01-01

This paper proposes an H7 current source inverter (CSI) consisting of a single parallel-connected silicon carbide (SiC) switch and a traditional silicon (Si) H6 CSI. The proposed H7 CSI takes the advantages of the SiC switch to maintain high efficiency, while significantly increasing the switching...... as an all-SiC-switch converter in terms of high performance and high efficiency with reduced DC inductance. It provides a cost-effective solution to addressing the efficiency issue of conventional CSI systems. Simulations and experiments are performed to validate the effectiveness of the proposed H7 CSI...

Simulation Techniques and Prosthetic Approach Towards Biologically Efficient Artificial Sense Organs- An Overview

OpenAIRE

Neogi, Biswarup; Ghosal, Soumya; Mukherjee, Soumyajit; Das, Achintya; Tibarewala, D. N.

2011-01-01

An overview of the applications of control theory to prosthetic sense organs including the senses of vision, taste and odor is being presented in this paper. Simulation aspect nowadays has been the centre of research in the field of prosthesis. There have been various successful applications of prosthetic organs, in case of natural biological organs dis-functioning patients. Simulation aspects and control modeling are indispensible for knowing system performance, and to generate an original a...

Si cycling in a forest biogeosystem - the importance of transient state biogenic Si pools

Science.gov (United States)

Sommer, M.; Jochheim, H.; Höhn, A.; Breuer, J.; Zagorski, Z.; Busse, J.; Barkusky, D.; Meier, K.; Puppe, D.; Wanner, M.; Kaczorek, D.

2013-07-01

The relevance of biological Si cycling for dissolved silica (DSi) export from terrestrial biogeosystems is still in debate. Even in systems showing a high content of weatherable minerals, like Cambisols on volcanic tuff, biogenic Si (BSi) might contribute > 50% to DSi (Gerard et al., 2008). However, the number of biogeosystem studies is rather limited for generalized conclusions. To cover one end of controlling factors on DSi, i.e., weatherable minerals content, we studied a forested site with absolute quartz dominance (> 95%). Here we hypothesise minimal effects of chemical weathering of silicates on DSi. During a four year observation period (05/2007-04/2011), we quantified (i) internal and external Si fluxes of a temperate-humid biogeosystem (beech, 120 yr) by BIOME-BGC (version ZALF), (ii) related Si budgets, and (iii) Si pools in soil and beech, chemically as well as by SEM-EDX. For the first time two compartments of biogenic Si in soils were analysed, i.e., phytogenic and zoogenic Si pool (testate amoebae). We quantified an average Si plant uptake of 35 kg Si ha-1 yr-1 - most of which is recycled to the soil by litterfall - and calculated an annual biosilicification from idiosomic testate amoebae of 17 kg Si ha-1. The comparatively high DSi concentrations (6 mg L-1) and DSi exports (12 kg Si ha-1 yr-1) could not be explained by chemical weathering of feldspars or quartz dissolution. Instead, dissolution of a relictic, phytogenic Si pool seems to be the main process for the DSi observed. We identified canopy closure accompanied by a disappearance of grasses as well as the selective extraction of pine trees 30 yr ago as the most probable control for the phenomena observed. From our results we concluded the biogeosystem to be in a transient state in terms of Si cycling.

The effects of sulfur intercalation on the optical properties of artificial 'hackmanite', Na8[Al6Si6O24]Cl1.8S0.1; 'sulfosodalite', Na8[Al6Si6O24]S; and natural tugtupite, Na8

DEFF Research Database (Denmark)

Warner, Terence Edwin; Hutzen Andersen, Jan

2012-01-01

.8S0.1 destroys the tenebrescence and induces a permanently pale blue and, at higher temperature, a pale green coloration. The effect on Na8[Al6Si6O24]S induced similar colorations but of a deeper hue. Annealing tugtupite, Na8[Be2Al2Si8O24](Cl,S)2-x under a sulfur atmosphere over the range 600-700 °C......, destroyed the tenebrescence and resulted in a colourless tugtupite; but did not effect the photoluminescence. This suggests that the chemical species responsible for the tenebrescence in tugtupite is unlikely to be the same as that for the luminescence....

Residual stresses and mechanical properties of Si3N4/SiC multilayered composites with different SiC layers; Las tensiones residuales y las propiedades mecánicas de compuestos multicapa de Si3N4/SiC con diferentes capas de SiC

Energy Technology Data Exchange (ETDEWEB)

Liua, S.; Lia, Y.; Chena, P.; Lia, W.; Gaoa, S.; Zhang, B.; Yeb, F.

2017-11-01

The effect of residual stresses on the strength, toughness and work of fracture of Si3N4/SiC multilayered composites with different SiC layers has been investigated. It may be an effective way to design and optimize the mechanical properties of Si3N4/SiC multilayered composites by controlling the properties of SiC layers. Si3N4/SiC multilayered composites with different SiC layers were fabricated by aqueous tape casting and pressureless sintering. Residual stresses were calculated by using ANSYS simulation, the maximum values of tensile and compressive stresses were 553.2MPa and −552.1MPa, respectively. Step-like fracture was observed from the fracture surfaces. Fraction of delamination layers increased with the residual stress, which can improve the reliability of the materials. Tensile residual stress was benefit to improving toughness and work of fracture, but the strength of the composites decreased. [Spanish] Se ha investigado el efecto de las tensiones residuales en la resistencia, dureza y trabajo de fractura de los compuestos multicapa de Si3N4/SiC con diferentes capas de SiC. Puede ser una manera eficaz de diseñar y optimizar las propiedades mecánicas de los compuestos multicapa de Si3N4/SiC mediante el control de las propiedades de las capas de SiC. Los compuestos multicapa de Si3N4/SiC con diferentes capas de SiC se fabricaron por medio de colado en cinta en medio acuoso y sinterización sin presión. Las tensiones residuales se calcularon mediante el uso de la simulación ANSYS, los valores máximos de las fuerzas de tracción y compresión fueron 553,2 MPa y −552,1 MPa, respectivamente. Se observó una fractura escalonada a partir de las superficies de fractura. La fracción de capas de deslaminación aumenta con la tensión residual, lo que puede mejorar la fiabilidad de los materiales. La fuerza de tracción residual era beneficiosa para la mejora de la dureza y el trabajo de fractura, pero la resistencia de los compuestos disminuyó.

Verification of Fowler–Nordheim electron tunneling mechanism in Ni/SiO{sub 2}/n-4H SiC and n{sup +} poly-Si/SiO{sub 2}/n-4H SiC MOS devices by different models

Energy Technology Data Exchange (ETDEWEB)

Kodigala, Subba Ramaiah, E-mail: kodigala@gmail.com [Department of Electrical Engineering, University of South Carolina, Columbia, SC 29208 (United States); Department of Physics and Astronomy, Department of Electrical and Computer Engineering, California State University, Northridge, CA 91330 (United States)

2016-11-01

This article emphasizes verification of Fowler–Nordheim electron tunneling mechanism in the Ni/SiO{sub 2}/n-4H SiC MOS devices by developing three different kinds of models. The standard semiconductor equations are categorically solved to obtain the change in Fermi energy level of semiconductor with effect of temperature and field that extend support to determine sustainable and accurate tunneling current through the oxide layer. The forward and reverse bias currents with variation of electric field are simulated with help of different models developed by us for MOS devices by applying adequate conditions. The latter is quite different from former in terms of tunneling mechanism in the MOS devices. The variation of barrier height with effect of quantum mechanical, temperature, and fields is considered as effective barrier height for the generation of current–field (J–F) curves under forward and reverse biases but quantum mechanical effect is void in the latter. In addition, the J–F curves are also simulated with variation of carrier concentration in the n-type 4H SiC semiconductor of MOS devices and the relation between them is established.

Comparison between sucrose, ethanol and methanol as carbon and energy sources for biological sulphate reduction

CSIR Research Space (South Africa)

Greben, HA

2000-01-01

Full Text Available .51 0.32 0.37 0.3 0.74 0.7 1.42 1.67 2.2 Ratios: Theor. COD/SO4 0.67 0.86 1 1.2 0.49 0.48 6.6 0.8 0.77 0.61 0.61 0.78 S/SO4 0.33 0.14 0.1 0.12 0.1 0.12 0.13 0.1 0.13 0.17 0.14 0.19 Alkalinity/SO4 10.4 1.7 0.87 0.41 0.56 0.48 0.61 0.31 0.47 0.40 0.48 0...

First-principles study of the Pd–Si system and Pd(001)/SiC(001) hetero-structure

Energy Technology Data Exchange (ETDEWEB)

Turchi, P.E.A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Ivashchenko, V.I. [National Academy of Sciences of Ukraine (NASU), Kiev (Ukraine)

2014-11-01

First-principles molecular dynamics simulations of the Pd(001)/3C–SiC(001) nano-layered structure were carried out at different temperatures ranging from 300 to 2100 K. Various PdSi (Pnma, Fm3m, P6m2, Pm3m), Pd₂Si (P6⁻2m, P6₃/mmc, P3m1, P3⁻1m) and Pd₃Si (Pnma, P6₃22, Pm3m, I4/mmm) structures under pressure were studied to identify the structure of the Pd/Si and Pd/C interfaces in the Pd/SiC systems at high temperatures. It was found that a large atomic mixing at the Pd/Si interface occurred at 1500–1800 K, whereas the Pd/C interface remained sharp even at the highest temperature of 2100 K. At the Pd/C interface, voids and a graphite-like clustering were detected. Palladium and silicon atoms interact at the Pd/Si interface to mostly form C22-Pd₂Si and D0₁₁-Pd₃Si fragments, in agreement with experiment.

In Silico, In Vitro, and In Vivo Studies Indicate the Potential Use of Bolaamphiphiles for Therapeutic siRNAs Delivery

Directory of Open Access Journals (Sweden)

Taejin Kim

2013-01-01

Full Text Available Specific small interfering RNAs (siRNAs designed to silence different oncogenic pathways can be used for cancer therapy. However, non-modified naked siRNAs have short half-lives in blood serum and encounter difficulties in crossing biological membranes due to their negative charge. These obstacles can be overcome by using siRNAs complexed with bolaamphiphiles, consisting of two positively charged head groups that flank an internal hydrophobic chain. Bolaamphiphiles have relatively low toxicities, long persistence in the blood stream, and most importantly, in aqueous conditions can form poly-cationic micelles thus, becoming amenable to association with siRNAs. Herein, two different bolaamphiphiles with acetylcholine head groups attached to an alkyl chain in two distinct configurations are compared for their abilities to complex with siRNAs and deliver them into cells inducing gene silencing. Our explicit solvent molecular dynamics (MD simulations showed that bolaamphiphiles associate with siRNAs due to electrostatic, hydrogen bonding, and hydrophobic interactions. These in silico studies are supported by various in vitro and in cell culture experimental techniques as well as by some in vivo studies. Results demonstrate that depending on the application, the extent of siRNA chemical protection, delivery efficiency, and further intracellular release can be varied by simply changing the type of bolaamphiphile used.

Self-organization of nanocluster δ-layers at ion-beam-mixed Si-SiO2 interfaces

International Nuclear Information System (INIS)

Roentzsch, L.

2003-11-01

This diploma thesis presents experimental evidence of a theoretical concept which predicts the self-organization of δ-layers of silicon nanoclusters in the buried oxide of a MOS-like structure. This approach of ''bottom-up'' structuring might be of eminent importance in view of future semiconductor memory devices. Unconventionally, a 15 nm thin SiO 2 layer, which is enclosed by a 50 nm poly-Si capping layer and the Si substrate, is irradiated with Si + ions. Ion impact drives the system to a state far from thermodynamic equilibrium, i.e. the local composition of the target is modified to a degree unattainable in common processes. A region of SiO x (x 2 matrix at a distance of ∼3 nm from the Si substrate. The physical mechanisms of ion mixing of the two Si-SiO 2 interfaces and subsequent phase separation, which result in the desired sample structure, are elucidated from the viewpoint of computer simulations. In addition, experimental evidence is presented based on various methods, including TEM, RBS, and SIMS. A novel method of Si nanocluster decoration is of particular importance which applies Ge as contrast enhancing element in TEM studies of tiny Si nanoclusters. (orig.)

Comparison between Si/SiO{sub 2} and InP/Al{sub 2}O{sub 3} based MOSFETs

Energy Technology Data Exchange (ETDEWEB)

Akbari Tochaei, A., E-mail: amirakbari182@gmail.com; Arabshahi, H.; Benam, M. R. [Payame Noor University, Department of Physics (Iran, Islamic Republic of); Vatan-Khahan, A.; Abedininia, M. [Khayyam University, Department of Physics (Iran, Islamic Republic of)

2016-11-15

Electron transport properties of InP-based MOSFET as a new channel material with Al{sub 2}O{sub 3} as a high-k dielectric oxide layer in comparison with Si-based MOSFET are studied by the ensemble Monte Carlo simulation method in which the conduction band valleys in InP are based on three valley models with consideration of quantum effects (effective potential approach). I{sub d}–V{sub d} characteristics for Si-based MOSFET are in good agreement with theoretical and experimental results. Our results show that I{sub d} of InP-based MOSFET is about 2 times that of Si-based MOSFET. We simulated the diagrams of longitudinal and transverse electric fields, conduction band edge, average electron velocity, and average electron energy for Si-based MOSFET and compared the results with those for InP-based MOSFET. Our results, as was expected, show that the transverse electric field, the conduction band edge, the electron velocity, and the electron energy in a channel in the InP-based MOSFET are greater than those for Si-based MOSFET. But the longitudinal electric field behaves differently at different points of the channel.

Optical properties of silicene, Si/Ag(111), and Si/Ag(110)

Science.gov (United States)

Hogan, C.; Pulci, O.; Gori, P.; Bechstedt, F.; Martin, D. S.; Barritt, E. E.; Curcella, A.; Prevot, G.; Borensztein, Y.

2018-05-01

We present a state-of-the-art study of the optical properties of free-standing silicene and of single-layer Si one- and two-dimensional (1D and 2D) nanostructures supported on Ag(110) and Ag(111) substrates. Ab initio simulations of reflectance anisotropy spectroscopy (RAS) and surface differential reflectivity spectroscopy (SDRS) applied to the clean Ag surface and Si/Ag interfaces are compared with new measurements. For Si/Ag(110), we confirm a pentagonal nanoribbon geometry, strongly bonded to the substrate, and rule out competing zigzag chain and silicenelike models. For Si/Ag(111), we reproduce the main experimental features and isolate the optical signal of the epitaxial silicene overlayer. The absorption spectrum of a silicene sheet computed including excitonic and local field effects is found to be quite similar to that calculated within an independent particle approximation and shows strong modifications when adsorbed on a Ag substrate. Important details of the computational approach are examined and the origins of the RAS and SDRS signals are explained in terms of the interface and substrate response functions. Our study does not find any evidence for Si adlayers that retain the properties of freestanding silicene.

Surface texturing of Si3N4–SiC ceramic tool components by pulsed laser machining

CSIR Research Space (South Africa)

Tshabalala, LC

2016-03-01

Full Text Available texturing of Si(sub3)N(sub4)–SiC composites in the fabrication of machining tool inserts for various tribological applications. The samples were machined at varied laser energy (0.1–0.6 mJ) and lateral pulse overlap (50–88%) in order to generate a sequence...

An novel frequent probability pattern mining algorithm based on circuit simulation method in uncertain biological networks

Science.gov (United States)

2014-01-01

Background Motif mining has always been a hot research topic in bioinformatics. Most of current research on biological networks focuses on exact motif mining. However, due to the inevitable experimental error and noisy data, biological network data represented as the probability model could better reflect the authenticity and biological significance, therefore, it is more biological meaningful to discover probability motif in uncertain biological networks. One of the key steps in probability motif mining is frequent pattern discovery which is usually based on the possible world model having a relatively high computational complexity. Methods In this paper, we present a novel method for detecting frequent probability patterns based on circuit simulation in the uncertain biological networks. First, the partition based efficient search is applied to the non-tree like subgraph mining where the probability of occurrence in random networks is small. Then, an algorithm of probability isomorphic based on circuit simulation is proposed. The probability isomorphic combines the analysis of circuit topology structure with related physical properties of voltage in order to evaluate the probability isomorphism between probability subgraphs. The circuit simulation based probability isomorphic can avoid using traditional possible world model. Finally, based on the algorithm of probability subgraph isomorphism, two-step hierarchical clustering method is used to cluster subgraphs, and discover frequent probability patterns from the clusters. Results The experiment results on data sets of the Protein-Protein Interaction (PPI) networks and the transcriptional regulatory networks of E. coli and S. cerevisiae show that the proposed method can efficiently discover the frequent probability subgraphs. The discovered subgraphs in our study contain all probability motifs reported in the experiments published in other related papers. Conclusions The algorithm of probability graph isomorphism

Impurities and evaluation of induced activity of SiCf/SiC composites

International Nuclear Information System (INIS)

Noda, Tetsuji; Araki, Hiroshi; Ito, Shinji; Fujita, Mitsutane; Maki, Koichi

1997-01-01

Impurity of SiC f /SiC composites prepared by CVI was analyzed by neutron activation analysis and glow discharge mass spectrometry. The evaluation of the induced activity of the composites based on the chemical compositions was made using a simulation calculation for fusion reactor blanket. Impurities of 35 elements were detected in the composites. However the total concentration of metallic impurities was below 20 mass ppm. The analyses of induced activity of the composites show that the dose rate decreases by about 5 orders of magnitude in a day after the shutdown. It is recommended that the purification of SiC fibers is necessary to reduce the activity by 10 9 after several ten years cooling of fusion reactors. (author)

Endotaxially stabilized B2-FeSi nanodots in Si (100) via ion beam co-sputtering

Energy Technology Data Exchange (ETDEWEB)

Cassidy, Cathal, E-mail: c.cassidy@oist.jp; Singh, Vidyadhar; Grammatikopoulos, Panagiotis [Nanoparticles by Design Unit, Okinawa Institute of Science and Technology (OIST) Graduate University, 1919-1 Onna-Son, Okinawa 904-0495 (Japan); Kioseoglou, Joseph [Department of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki (Greece); Lal, Chhagan [Department of Physics, University of Rajasthan, Jaipur, Rajasthan 302005 (India); Sowwan, Mukhles, E-mail: mukhles@oist.jp [Nanoparticles by Design Unit, Okinawa Institute of Science and Technology (OIST) Graduate University, 1919-1 Onna-Son, Okinawa 904-0495 (Japan); Nanotechnology Research Laboratory, Al-Quds University, East Jerusalem, P.O. Box 51000, Palestine (Country Unknown)

2014-04-21

We report on the formation of embedded B2-FeSi nanodots in [100]-oriented Si substrates, and investigate the crystallographic mechanism underlying the stabilization of this uncommon, bulk-unstable, phase. The nanodots were approximately 10 nm in size, and were formed by iron thin film deposition and subsequent annealing. Cross-sectional transmission electron microscopy, energy loss spectroscopy mapping, and quantitative image simulation and analysis were utilized to identify the phase, strain, and orientational relationship of the nanodots to the host silicon lattice. X-ray photoelectron spectroscopy was utilized to analyze the surface composition and local bonding. Elasticity calculations yielded a nanodot residual strain value of −18%. Geometrical phase analysis graphically pinpointed the positions of misfit dislocations, and clearly showed the presence of pinned (11{sup ¯}1{sup ¯}){sub Si}//(100){sub FeSi}, and unpinned (2{sup ¯}42){sub Si}//(010){sub FeSi}, interfaces. This partial endotaxy in the host silicon lattice was the mechanism that stabilized the B2-FeSi phase.

Thermal conductivity of nanocrystalline SiGe alloys using molecular dynamics simulations

Science.gov (United States)

Abs da Cruz, Carolina; Katcho, Nebil A.; Mingo, Natalio; Veiga, Roberto G. A.

2013-10-01

We have studied the effect of nanocrystalline microstructure on the thermal conductivity of SiGe alloys using molecular dynamics simulations. Nanograins are modeled using both the coincidence site lattice and the Voronoi tessellation methods, and the thermal conductivity is computed using the Green-Kubo formalism. We analyze the dependence of the thermal conductivity with temperature, grain size L, and misorientation angle. We find a power dependence of L1/4 of the thermal conductivity with the grain size, instead of the linear dependence shown by non-alloyed nanograined systems. This dependence can be derived analytically underlines the important role that disorder scattering plays even when the grains are of the order of a few nm. This is in contrast to non-alloyed systems, where phonon transport is governed mainly by the boundary scattering. The temperature dependence is weak, in agreement with experimental measurements. The effect of angle misorientation is also small, which stresses the main role played by the disorder scattering.

Impact of GaAs buffer thickness on electronic quality of GaAs grown on graded Ge/GeSi/Si substrates

International Nuclear Information System (INIS)

Carlin, J. A.; Ringel, S. A.; Fitzgerald, E. A.; Bulsara, M.; Keyes, B. M.

2000-01-01

Minority carrier lifetimes and interface recombination velocities for GaAs grown on a Si wafer using compositionally graded GeSi buffers have been investigated as a function of GaAs buffer thickness using monolayer-scale control of the GaAs/Ge interface nucleation during molecular beam epitaxy. The GaAs layers are free of antiphase domain disorder, with threading dislocation densities measured by etch pit density of 5x10 5 -2x10 6 cm -2 . Analysis indicates no degradation in either minority carrier lifetime or interface recombination velocity down to a GaAs buffer thickness of 0.1 μm. In fact, record high minority carrier lifetimes exceeding 10 ns have been obtained for GaAs on Si with a 0.1 μm GaAs buffer. Secondary ion mass spectroscopy reveals that cross diffusion of Ga, As, and Ge at the GaAs/Ge interface formed on the graded GeSi buffers are below detection limits in the interface region, indicating that polarity control of the GaAs/Ge interface formed on GeSi/Si substrates can be achieved. (c) 2000 American Institute of Physics

Implantation of P ions in SiO{sub 2} layers with embedded Si nanocrystals

Energy Technology Data Exchange (ETDEWEB)

Kachurin, G.A. E-mail: kachurin@isp.nsc.ru; Cherkova, S.G.; Volodin, V.A.; Kesler, V.G.; Gutakovsky, A.K.; Cherkov, A.G.; Bublikov, A.V.; Tetelbaum, D.I

2004-08-01

The effect of 10{sup 13}-10{sup 16} cm{sup -2} P ions implantation and of subsequent annealing on Si nanocrystals (Si-ncs), formed preliminarily in SiO{sub 2} layers by the ion-beam synthesis, has been studied. Photoluminescence (PL), Raman spectroscopy, high resolution electron microscopy (HREM), X-Ray Photoelectron Spectroscopy (XPS) and optical absorption were used for characterizations. The low fluence implantations have shown even individual displacements in Si-ncs quench their PL. Restoration of PL from partly damaged Si-ncs proceeds at annealing less than 1000 deg. C. In the low fluence implanted and annealed samples an increased Si-ncs PL has been found and ascribed to the radiation-induced shock crystallization of stressed Si nanoprecipitates. Annealing at temperatures under 1000 deg. C are inefficient when P ion fluences exceed 10{sup 14} cm{sup -2}, thus becoming capable to amorphize Si-ncs. High crystallization temperature of the amorphized Si-ncs is attributed to a counteraction of their shell layers. After implantation of the highest P fluences an enhanced recovery of PL was found from P concentration over 0.1 at.%. Raman spectroscopy and HREM showed an increased Si-ncs number in such layers. The effect resembles the impurity-enhanced crystallization, known for heavily doped bulk Si. This effect, along with the data obtained by XPS, is considered as an indication P atoms are really present inside the Si-ncs. However, no evidence of free electrons appearance has been observed. The fact is explained by an increased interaction of electrons with the donor nuclei in Si-ncs.

Temperature stability of c-axis oriented LiNbO3/SiO2/Si thin film layered structures

International Nuclear Information System (INIS)

Tomar, Monika; Gupta, Vinay; Mansingh, Abhai; Sreenivas, K.

2001-01-01

Theoretical calculations have been performed for the temperature stability of the c-axis oriented LiNbO 3 thin film layered structures on passivated silicon (SiO 2 /Si) substrate with and without a non-piezoelectric SiO 2 overlayer. The phase velocity, electromechanical coupling coefficient and temperature coefficient of delay (TCD) have been calculated. The thicknesses of various layers have been determined for optimum SAW performance with zero TCD. The presence of a non-piezoelectric SiO 2 overlayer on LiNbO 3 film is found to significantly enhance the coupling coefficient. The optimized results reveal that a high coupling coefficient of K 2 =3.45% and a zero TCD can be obtained in the SiO 2 /LiNbO 3 /SiO 2 /Si structure with a 0.235λ thick LiNbO 3 layer sandwiched between 0.1λ thick SiO 2 layers. (author)

Modelling and Simulating Complex Systems in Biology: introducing NetBioDyn : A Pedagogical and Intuitive Agent-Based Software

OpenAIRE

Ballet, Pascal; Rivière, Jérémy; Pothet, Alain; Théron, Michaël; Pichavant, Karine; Abautret, Frank; Fronville, Alexandra; Rodin, Vincent

2017-01-01

International audience; Modelling and teaching complex biological systems is a difficult process. Multi-Agent Based Simulations (MABS) have proved to be an appropriate approach both in research and education when dealing with such systems including emergent, self-organizing phenomena. This chapter presents NetBioDyn, an original software aimed at biologists (students, teachers, researchers) to easily build and simulate complex biological mechanisms observed in multicellular and molecular syst...

Solving the critical thermal bowing in 3C-SiC/Si(111) by a tilting Si pillar architecture

Science.gov (United States)

Albani, Marco; Marzegalli, Anna; Bergamaschini, Roberto; Mauceri, Marco; Crippa, Danilo; La Via, Francesco; von Känel, Hans; Miglio, Leo

2018-05-01

The exceptionally large thermal strain in few-micrometers-thick 3C-SiC films on Si(111), causing severe wafer bending and cracking, is demonstrated to be elastically quenched by substrate patterning in finite arrays of Si micro-pillars, sufficiently large in aspect ratio to allow for lateral pillar tilting, both by simulations and by preliminary experiments. In suspended SiC patches, the mechanical problem is addressed by finite element method: both the strain relaxation and the wafer curvature are calculated at different pillar height, array size, and film thickness. Patches as large as required by power electronic devices (500-1000 μm in size) show a remarkable residual strain in the central area, unless the pillar aspect ratio is made sufficiently large to allow peripheral pillars to accommodate the full film retraction. A sublinear relationship between the pillar aspect ratio and the patch size, guaranteeing a minimal curvature radius, as required for wafer processing and micro-crack prevention, is shown to be valid for any heteroepitaxial system.

Electrically detected magnetic resonance of carbon dangling bonds at the Si-face 4H-SiC/SiO2 interface

Science.gov (United States)

Gruber, G.; Cottom, J.; Meszaros, R.; Koch, M.; Pobegen, G.; Aichinger, T.; Peters, D.; Hadley, P.

2018-04-01

SiC based metal-oxide-semiconductor field-effect transistors (MOSFETs) have gained a significant importance in power electronics applications. However, electrically active defects at the SiC/SiO2 interface degrade the ideal behavior of the devices. The relevant microscopic defects can be identified by electron paramagnetic resonance (EPR) or electrically detected magnetic resonance (EDMR). This helps to decide which changes to the fabrication process will likely lead to further increases of device performance and reliability. EDMR measurements have shown very similar dominant hyperfine (HF) spectra in differently processed MOSFETs although some discrepancies were observed in the measured g-factors. Here, the HF spectra measured of different SiC MOSFETs are compared, and it is argued that the same dominant defect is present in all devices. A comparison of the data with simulated spectra of the C dangling bond (PbC) center and the silicon vacancy (VSi) demonstrates that the PbC center is a more suitable candidate to explain the observed HF spectra.

Physical and electrical characteristics of Si/SiC quantum dot superlattice solar cells with passivation layer of aluminum oxide.

Science.gov (United States)

Tsai, Yi-Chia; Li, Yiming; Samukawa, Seiji

2017-12-01

In this work, we numerically simulate the silicon (Si)/silicon carbide (SiC) quantum dot superlattice solar cell (SiC-QDSL) with aluminum oxide (Al 2 O 3 -QDSL) passivation. By exploiting the passivation layer of Al 2 O 3 , the high photocurrent and the conversion efficiency can be achieved without losing the effective bandgap. Based on the two-photon transition mechanism in an AM1.5 and a one sun illumination, the simulated short-circuit current (J sc ) of 4.77 mA cm -2 is very close to the experimentally measured 4.75 mA cm -2 , which is higher than those of conventional SiC-QDSLs. Moreover, the efficiency fluctuation caused by the structural variation is less sensitive by using the passivation layer. A high conversion efficiency of 17.4% is thus estimated by adopting the QD's geometry used in the experiment; and, it can be further boosted by applying a hexagonal QD formation with an inter-dot spacing of 0.3 nm.

Physical and electrical characteristics of Si/SiC quantum dot superlattice solar cells with passivation layer of aluminum oxide

Science.gov (United States)

Tsai, Yi-Chia; Li, Yiming; Samukawa, Seiji

2017-12-01

In this work, we numerically simulate the silicon (Si)/silicon carbide (SiC) quantum dot superlattice solar cell (SiC-QDSL) with aluminum oxide (Al2O3-QDSL) passivation. By exploiting the passivation layer of Al2O3, the high photocurrent and the conversion efficiency can be achieved without losing the effective bandgap. Based on the two-photon transition mechanism in an AM1.5 and a one sun illumination, the simulated short-circuit current (J sc) of 4.77 mA cm-2 is very close to the experimentally measured 4.75 mA cm-2, which is higher than those of conventional SiC-QDSLs. Moreover, the efficiency fluctuation caused by the structural variation is less sensitive by using the passivation layer. A high conversion efficiency of 17.4% is thus estimated by adopting the QD’s geometry used in the experiment; and, it can be further boosted by applying a hexagonal QD formation with an inter-dot spacing of 0.3 nm.

Using multi-criteria analysis of simulation models to understand complex biological systems

Science.gov (United States)

Maureen C. Kennedy; E. David. Ford

2011-01-01

Scientists frequently use computer-simulation models to help solve complex biological problems. Typically, such models are highly integrated, they produce multiple outputs, and standard methods of model analysis are ill suited for evaluating them. We show how multi-criteria optimization with Pareto optimality allows for model outputs to be compared to multiple system...

Simulation of the oxidation pathway on Si(100) using high-resolution EELS

Energy Technology Data Exchange (ETDEWEB)

Hogan, Conor [Consiglio Nazionale delle Ricerche, Istituto di Struttura della Materia (CNR-ISM), Rome (Italy); Dipartimento di Fisica, Universita di Roma ' ' Tor Vergata' ' , Roma (Italy); European Theoretical Spectroscopy Facility (ETSF), Roma (Italy); Caramella, Lucia; Onida, Giovanni [Dipartimento di Fisica, Universita degli Studi di Milano (Italy); European Theoretical Spectroscopy Facility (ETSF), Milano (Italy)

2012-06-15

We compute high-resolution electron energy loss spectra (HREELS) of possible structural motifs that form during the dynamic oxidation process on Si(100), including the important metastable precursor silanone and an adjacent-dimer bridge (ADB) structure that may seed oxide formation. Spectroscopic fingerprints of single site, silanone, and ''seed'' structures are identified and related to changes in the surface bandstructure of the clean surface. Incorporation of oxygen into the silicon lattice through adsorption and dissociation of water is also examined. Results are compared to available HREELS spectra and surface optical data, which are closely related. Our simulations confirm that HREELS offers complementary evidence to surface optical spectroscopy, and show that its high sensitivity allows it to distinguish between energetically and structurally similar oxidation models. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Nanopatterning of Si(001) for bottom-up fabrication of nanostructures.

Science.gov (United States)

Hu, Yanfang; Kalachahi, Hedieh Hosseinzadeh; Das, Amal K; Koch, Reinhold

2012-04-27

The epitaxial growth of Si on Si(001) under conditions at which the (2 × n) superstructure is forming has been investigated by scanning tunneling microscopy and Monte Carlo simulations. Our experiments reveal a periodic change of the surface morphology with the surface coverage of Si. A regular (2 × n) stripe pattern is observed at coverages of 0.7-0.9 monolayers that periodically alternates with less dense surface structures at lower Si surface coverages. The MC simulations show that the growth of Si is affected by step-edge barriers, which favors the formation of a rather uniform two-dimensional framework-like configuration. Subsequent deposition of Ge onto the (2 × n) stripe pattern yields a dense array of small Ge nanostructures.

PbSe quantum well mid-infrared vertical external cavity surface emitting laser on Si-substrates

Science.gov (United States)

Fill, M.; Khiar, A.; Rahim, M.; Felder, F.; Zogg, H.

2011-05-01

Mid-infrared vertical external cavity surface emitting lasers based on PbSe/PbSrSe multi-quantum-well structures on Si-substrates are realized. A modular design allows growing the active region and the bottom Bragg mirror on two different Si-substrates, thus facilitating comparison between different structures. Lasing is observed from 3.3 to 5.1 μm wavelength and up to 52 °C heat sink temperature with 1.55 μm optical pumping. Simulations show that threshold powers are limited by Shockley-Read recombination with lifetimes as short as 0.1 ns. At higher temperatures, an additional threshold power increase occurs probably due to limited carrier diffusion length and carrier leakage, caused by an unfavorable band alignment.

Simulating biological processes: stochastic physics from whole cells to colonies

Science.gov (United States)

Earnest, Tyler M.; Cole, John A.; Luthey-Schulten, Zaida

2018-05-01

The last few decades have revealed the living cell to be a crowded spatially heterogeneous space teeming with biomolecules whose concentrations and activities are governed by intrinsically random forces. It is from this randomness, however, that a vast array of precisely timed and intricately coordinated biological functions emerge that give rise to the complex forms and behaviors we see in the biosphere around us. This seemingly paradoxical nature of life has drawn the interest of an increasing number of physicists, and recent years have seen stochastic modeling grow into a major subdiscipline within biological physics. Here we review some of the major advances that have shaped our understanding of stochasticity in biology. We begin with some historical context, outlining a string of important experimental results that motivated the development of stochastic modeling. We then embark upon a fairly rigorous treatment of the simulation methods that are currently available for the treatment of stochastic biological models, with an eye toward comparing and contrasting their realms of applicability, and the care that must be taken when parameterizing them. Following that, we describe how stochasticity impacts several key biological functions, including transcription, translation, ribosome biogenesis, chromosome replication, and metabolism, before considering how the functions may be coupled into a comprehensive model of a ‘minimal cell’. Finally, we close with our expectation for the future of the field, focusing on how mesoscopic stochastic methods may be augmented with atomic-scale molecular modeling approaches in order to understand life across a range of length and time scales.

Si cycling in a forest biogeosystem – the importance of transient state biogenic Si pools

Directory of Open Access Journals (Sweden)

M. Sommer

2013-07-01

Full Text Available The relevance of biological Si cycling for dissolved silica (DSi export from terrestrial biogeosystems is still in debate. Even in systems showing a high content of weatherable minerals, like Cambisols on volcanic tuff, biogenic Si (BSi might contribute > 50% to DSi (Gerard et al., 2008. However, the number of biogeosystem studies is rather limited for generalized conclusions. To cover one end of controlling factors on DSi, i.e., weatherable minerals content, we studied a forested site with absolute quartz dominance (> 95%. Here we hypothesise minimal effects of chemical weathering of silicates on DSi. During a four year observation period (05/2007–04/2011, we quantified (i internal and external Si fluxes of a temperate-humid biogeosystem (beech, 120 yr by BIOME-BGC (version ZALF, (ii related Si budgets, and (iii Si pools in soil and beech, chemically as well as by SEM-EDX. For the first time two compartments of biogenic Si in soils were analysed, i.e., phytogenic and zoogenic Si pool (testate amoebae. We quantified an average Si plant uptake of 35 kg Si ha−1 yr−1 – most of which is recycled to the soil by litterfall – and calculated an annual biosilicification from idiosomic testate amoebae of 17 kg Si ha−1. The comparatively high DSi concentrations (6 mg L−1 and DSi exports (12 kg Si ha−1 yr−1 could not be explained by chemical weathering of feldspars or quartz dissolution. Instead, dissolution of a relictic, phytogenic Si pool seems to be the main process for the DSi observed. We identified canopy closure accompanied by a disappearance of grasses as well as the selective extraction of pine trees 30 yr ago as the most probable control for the phenomena observed. From our results we concluded the biogeosystem to be in a transient state in terms of Si cycling.

Radiation effects and micromechanics of SiC/SiC composites

International Nuclear Information System (INIS)

Ghoniem, N.M.

1992-01-01

The basic displacement damage process in SiC has been fully explored, and the mechanisms identified. Major modifications have been made to the theory of damage dosimetry in Fusion, Fission and Ion Simulation studies of Sic. For the first time, calculations of displacements per atoms in SiC can be made in any irradiation environment. Applications to irradiations in fusion first wall neutron spectra (ARIES and PROMETHEUS) as well as in fission spectra (HIFIR and FFTF) are given. Nucleation of helium-filled cavities in SiC was studied, using concepts of stability theory to determine the size of the critical nucleus under continuous generation of helium and displacement damage. It is predicted that a bimodal distribution of cavity sizes is likely to occur in heavily irradiated SiC. A study of the chemical compatibility of SiC composite structures with fusion reactor coolants at high-temperatures was undertaken. It was shown that SiC itself is chemically very stable in helium coolants in the temperature range 500--1000 degree C. However, current fiber/matrix interfaces, such as C and BN are not. The fracture mechanics of high-temperature matrix cracks with bridging fibers is now in progress. A fundamentally unique approach to study the propagation and interaction of cracks in a composite was initiated. The main focus of our research during the following period will be : (1) Theory and experiments for the micro-mechanics of high-temperature failure; and (2) Analysis of radiation damage and microstructure evolution

The influence of various dielectric parameters on the reststrahlen region of SiC

International Nuclear Information System (INIS)

Engelbrecht, J.A.A.; Rooyen, I.J. van

2011-01-01

The reststrahlen region of SiC is analysed with the goal of establishing the origin of different shapes of this band, by varying the dielectric parameters involved when simulating the reststrahlen region as obtained by infrared reflectance. -- Research highlights: → An anomalous peak observed in the reststrahlen band of SiC was investigated. → The reflection spectrum of SiC in the reststrahlen region was simulated by theoretical calculations. → The influence on the reststrahlen band of the dielectric parameters used in the simulations is discussed. → Dielectric parameters used in the simulations did not yield the anomalous peak that is observed experimentally.

The influence of various dielectric parameters on the reststrahlen region of SiC

Energy Technology Data Exchange (ETDEWEB)

Engelbrecht, J.A.A., E-mail: Japie.Engelbrecht@nmmu.ac.z [Physics Department, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth 6031 (South Africa); Rooyen, I.J. van [Physics Department, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth 6031 (South Africa); National Laser Centre, CSIR, PO Box 395, Pretoria 0001 (South Africa)

2011-02-01

The reststrahlen region of SiC is analysed with the goal of establishing the origin of different shapes of this band, by varying the dielectric parameters involved when simulating the reststrahlen region as obtained by infrared reflectance. -- Research highlights: {yields} An anomalous peak observed in the reststrahlen band of SiC was investigated. {yields} The reflection spectrum of SiC in the reststrahlen region was simulated by theoretical calculations. {yields} The influence on the reststrahlen band of the dielectric parameters used in the simulations is discussed. {yields} Dielectric parameters used in the simulations did not yield the anomalous peak that is observed experimentally.

Ab initio molecular dynamics simulations on the structural change of liquid eutectic alloy Si15Te85 from 673 to 1373 k

International Nuclear Information System (INIS)

Wang Yubing; Zhao Gang; Liu Changsong; Zhu Zhengang

2010-01-01

Using ab initio molecular dynamics simulations and inherent structure formalism, the local atomic structure and electronic properties of liquid Si 15 Te 85 alloy were studied at eight different temperatures from 673 to 1373 K. In comparison with available experimental data, our calculated structure factors are acceptable. With increasing temperature from 773 to 1173 K, the calculated total coordination number N Total increases gradually in contrast to the behavior of a classical isotropic fluid. Our results of pair-correlation functions, bond-angle distribution functions and angular limited triplet correlation functions suggest that the temperature-dependence of the preserved sp 3 hybridization of Si atoms and Peierls-type distorted local structure around Te atoms both play important roles in the structural change of Si 15 Te 85 characterized by thermodynamic anomalies.

Substrate Effects in Wideband SiGe HBT Mixer Circuits

DEFF Research Database (Denmark)

Johansen, Tom Keinicke; Vidkjær, Jens; Krozer, Viktor

2005-01-01

are also applied to predict short distance substrate coupling effects. Simulation results using extracted equivalent circuit models and substrate coupling networks are compared with experimental results obtained on a wideband mixer circuit implemented in a 0.35 μm, 60 GHz ft SiGe HBT BiCMOS process.......In this paper, the influence from substrate effects on the performance of wideband SiGe HBT mixer circuits is investigated. Equivalent circuit models including substrate networks are extracted from on-wafer test structures and compared with electromagnetic simulations. Electromagnetic simulations...

A finite element simulation of biological conversion processes in landfills

International Nuclear Information System (INIS)

Robeck, M.; Ricken, T.; Widmann, R.

2011-01-01

Landfills are the most common way of waste disposal worldwide. Biological processes convert the organic material into an environmentally harmful landfill gas, which has an impact on the greenhouse effect. After the depositing of waste has been stopped, current conversion processes continue and emissions last for several decades and even up to 100 years and longer. A good prediction of these processes is of high importance for landfill operators as well as for authorities, but suitable models for a realistic description of landfill processes are rather poor. In order to take the strong coupled conversion processes into account, a constitutive three-dimensional model based on the multiphase Theory of Porous Media (TPM) has been developed at the University of Duisburg-Essen. The theoretical formulations are implemented in the finite element code FEAP. With the presented calculation concept we are able to simulate the coupled processes that occur in an actual landfill. The model's theoretical background and the results of the simulations as well as the meantime successfully performed simulation of a real landfill body will be shown in the following.

Mechanical properties of MeV ion-irradiated SiC/SiC composites characterized by indentation technique

International Nuclear Information System (INIS)

Park, J.Y.; Park, K.H.; Kim, W.; Kishimoto, H.; Kohyama, A.

2007-01-01

Full text of publication follows: SiC/SiC composites have been considered as a structural material for advanced fusion concepts. In the core of fusion reactor, those SiC/SiC composites are experienced the complex attacks such as strong neutron, high temperature and transmuted gases. One of the vital data for designing the SiC/SiC composites to the fusion reactor is mechanical properties under the severe neutron irradiation. In this work, various SiC/SiC composites were prepared by the different fabrication processes like CVI (chemical vapor infiltration), WA-CVI (SiC whisker assisted CVI) and hot-pressed method. The expected neutron irradiation was simulated by a silicon self-ion irradiation at a DuET facility; Dual-beam for Energy Technologies, Kyoto University. The irradiation temperature were 600 deg. C and 1200 deg. C, and the irradiation does were 5 dpa and 20 dpa, respectively. The 5.1 MeV Si ions were irradiated to the intrinsic CVI-SiC, SiC whisker reinforced SiC and SiC composites produced by hot-press method. The mechanical properties like hardness, elastic modulus and fracture toughness were characterized by an indentation technique. The ion irradiation caused the increase of the hardness and fracture toughness, which was dependent on the irradiation temperature. SiC whisker reinforcement in the SiC matrix accelerated the increase of the fracture toughness by the ion irradiation. For SiC/SiC composites after the ion irradiation, this work will provide the additional data for the mechanical properties as well as the effect of SiC whisker reinforcement. (authors)

Hydrogen intercalation of single and multiple layer graphene synthesized on Si-terminated SiC(0001) surface

International Nuclear Information System (INIS)

Sołtys, Jakub; Piechota, Jacek; Ptasinska, Maria; Krukowski, Stanisław

2014-01-01

Ab initio density functional theory simulations were used to investigate the influence of hydrogen intercalation on the electronic properties of single and multiple graphene layers deposited on the SiC(0001) surface (Si-face). It is shown that single carbon layer, known as a buffer layer, covalently bound to the SiC substrate, is liberated after hydrogen intercalation, showing characteristic Dirac cones in the band structure. This is in agreement with the results of angle resolved photoelectron spectroscopy measurements of hydrogen intercalation of SiC-graphene samples. In contrast to that hydrogen intercalation has limited impact on the multiple sheet graphene, deposited on Si-terminated SiC surface. The covalently bound buffer layer is liberated attaining its graphene like structure and dispersion relation typical for multilayer graphene. Nevertheless, before and after intercalation, the four layer graphene preserved the following dispersion relations in the vicinity of K point: linear for (AAAA) stacking, direct parabolic for Bernal (ABAB) stacking and “wizard hat” parabolic for rhombohedral (ABCA) stacking

Stochastic simulation of biological reactions, and its applications for studying actin polymerization.

Science.gov (United States)

Ichikawa, Kazuhisa; Suzuki, Takashi; Murata, Noboru

2010-11-30

Molecular events in biological cells occur in local subregions, where the molecules tend to be small in number. The cytoskeleton, which is important for both the structural changes of cells and their functions, is also a countable entity because of its long fibrous shape. To simulate the local environment using a computer, stochastic simulations should be run. We herein report a new method of stochastic simulation based on random walk and reaction by the collision of all molecules. The microscopic reaction rate P(r) is calculated from the macroscopic rate constant k. The formula involves only local parameters embedded for each molecule. The results of the stochastic simulations of simple second-order, polymerization, Michaelis-Menten-type and other reactions agreed quite well with those of deterministic simulations when the number of molecules was sufficiently large. An analysis of the theory indicated a relationship between variance and the number of molecules in the system, and results of multiple stochastic simulation runs confirmed this relationship. We simulated Ca²(+) dynamics in a cell by inward flow from a point on the cell surface and the polymerization of G-actin forming F-actin. Our results showed that this theory and method can be used to simulate spatially inhomogeneous events.

Stochastic simulation of biological reactions, and its applications for studying actin polymerization

International Nuclear Information System (INIS)

Ichikawa, Kazuhisa; Suzuki, Takashi; Murata, Noboru

2010-01-01

Molecular events in biological cells occur in local subregions, where the molecules tend to be small in number. The cytoskeleton, which is important for both the structural changes of cells and their functions, is also a countable entity because of its long fibrous shape. To simulate the local environment using a computer, stochastic simulations should be run. We herein report a new method of stochastic simulation based on random walk and reaction by the collision of all molecules. The microscopic reaction rate P r is calculated from the macroscopic rate constant k. The formula involves only local parameters embedded for each molecule. The results of the stochastic simulations of simple second-order, polymerization, Michaelis–Menten-type and other reactions agreed quite well with those of deterministic simulations when the number of molecules was sufficiently large. An analysis of the theory indicated a relationship between variance and the number of molecules in the system, and results of multiple stochastic simulation runs confirmed this relationship. We simulated Ca 2+ dynamics in a cell by inward flow from a point on the cell surface and the polymerization of G-actin forming F-actin. Our results showed that this theory and method can be used to simulate spatially inhomogeneous events

SI units in radiation protection

International Nuclear Information System (INIS)

Jain, V.K.; Soman, S.D.

1978-01-01

International System of Units abbreviated as SI units has been adopted by most of the countries of the world. Following this development, the implementation of SI units has become mandatory with a transition period of about ten years. Some of the journals have already adopted the SI units and any material sent for publication to them must use only these. International Commission on Radiation Units and Measurement (ICRU) published letters in several journals including Physics in Medicine and Biology, Health Physics, British Journal of Radiology, etc. outlining the latest recommendations on SI units to elicit the reactions of scientists in the general field of radiological sciences. Reactions to the letters were numerous as can be seen in the correspondence columns of these journals for the last few years and ranged from great misgivings and apprehension to support and appreciation. SI units have also been the subject of editorial comments in several journals. On the basis of a survey of this literature, it may be said that there was general agreement on the long term advantage of SI units inspite of some practical difficulties in their use particularly in the initial stages. This report presents a review of SI units in radiological sciences with a view to familiarize the users with the new units in terms of the old. A time table for the gradual changeover to the SI units is also outlined. (auth.)

Simulation research on the effect of cooled EGR, supercharging and compression ratio on downsized SI engine knock

Science.gov (United States)

Shu, Gequn; Pan, Jiaying; Wei, Haiqiao; Shi, Ning

2013-03-01

Knock in spark-ignition(SI) engines severely limits engine performance and thermal efficiency. The researches on knock of downsized SI engine have mainly focused on structural design, performance optimization and advanced combustion modes, however there is little for simulation study on the effect of cooled exhaust gas recirculation(EGR) combined with downsizing technologies on SI engine performance. On the basis of mean pressure and oscillating pressure during combustion process, the effect of different levels of cooled EGR ratio, supercharging and compression ratio on engine dynamic and knock characteristic is researched with three-dimensional KIVA-3V program coupled with pressure wave equation. The cylinder pressure, combustion temperature, ignition delay timing, combustion duration, maximum mean pressure, and maximum oscillating pressure at different initial conditions are discussed and analyzed to investigate potential approaches to inhibiting engine knock while improving power output. The calculation results of the effect of just cooled EGR on knock characteristic show that appropriate levels of cooled EGR ratio can effectively suppress cylinder high-frequency pressure oscillations without obvious decrease in mean pressure. Analysis of the synergistic effect of cooled EGR, supercharging and compression ratio on knock characteristic indicates that under the condition of high supercharging and compression ratio, several times more cooled EGR ratio than that under the original condition is necessarily utilized to suppress knock occurrence effectively. The proposed method of synergistic effect of cooled EGR and downsizing technologies on knock characteristic, analyzed from the aspects of mean pressure and oscillating pressure, is an effective way to study downsized SI engine knock and provides knock inhibition approaches in practical engineering.

Effect of cooking on functional properties of germinated black glutinous rice (KKU-ULR012

Directory of Open Access Journals (Sweden)

Thapanan Konwatchara

2014-06-01

Full Text Available The aim of this research was to investigate the changes in functional properties of germinated black glutinous rice (KKU-ULR012 after cooking. Black glutinous rice grains were obtained from Faculty of Agriculture, Khon Kaen University, Thailand. The rough grains were soaked for 12 hrs, then germinated for 30 hrs at 35±2°C (95%RH, dried at 45±2°C for 8 hrs, dehusked and cooked either using a microwave oven or a pressure cooker. The cooked grains were dehydrated in two stages, 85±2°C for 1 hr and 45±2°C for 12 hrs until the final moisture content was 10±2%wb. The antioxidant activity, anthocyanins, GABA and -oryzanol contents, and the microstructure of the dehydrated grains were then characterized. Germination process induced a 2.55 fold increase in GABA content compared to non-germinated KKU-ULR012. The germinated KKU-ULR012 gave DPPH value, anthocyanins and -oryzanol contents of 33.74±0.15 mgTrolox/100gdb, 182.89±0.48 mg/100gdb and 37.72±0.16 mg/100gdb, respectively. Anthocyanins in cooked germinated KKU-ULR012 diminished almost 88-89% after cooking. The cooking methods employed strongly influenced the antioxidant activity and anthocyanins content that the pressure cooking tended to prevent loss of anthocyanin content and antioxidant activity. The GABA, -oryzanol and antho-cyanins contents and antioxidant activity of germinated grains cooked in the pressure cooker were higher than the samples cooked in the microwave oven (p<0.05. For pressure cooking, the cooked grains gave DPPH, ABTS, anthocyanins and -oryzanol contents of 9.89±0.35 mgTrolox/100gdb, 1.79±0.04 mgTrolox/100gdb, 21.60±0.14 mg/100gdb and 37.16±0.70 mg/100gdb, respectively. The rice grains cooked by pressure cooking were more moist and sticky than the grains cooked by microwave cooking. The microstructure examined by SEM showed that the center of the dehydrated cooked rice grain was smooth indicating starch gelatinization whereas the surface revealed

Realization of Colored Multicrystalline Silicon Solar Cells with SiO2/SiNx:H Double Layer Antireflection Coatings

Directory of Open Access Journals (Sweden)

Minghua Li

2013-01-01

Full Text Available We presented a method to use SiO2/SiNx:H double layer antireflection coatings (DARC on acid textures to fabricate colored multicrystalline silicon (mc-Si solar cells. Firstly, we modeled the perceived colors and short-circuit current density (Jsc as a function of SiNx:H thickness for single layer SiNx:H, and as a function of SiO2 thickness for the case of SiO2/SiNx:H (DARC with fixed SiNx:H (refractive index n=2.1 at 633 nm, and thickness = 80 nm. The simulation results show that it is possible to achieve various colors by adjusting the thickness of SiO2 to avoid significant optical losses. Therefore, we carried out the experiments by using electron beam (e-beam evaporation to deposit a layer of SiO2 over the standard SiNx:H for 156×156 mm2 mc-Si solar cells which were fabricated by a conventional process. Semisphere reflectivity over 300 nm to 1100 nm and I-V measurements were performed for grey yellow, purple, deep blue, and green cells. The efficiency of colored SiO2/SiNx:H DARC cells is comparable to that of standard SiNx:H light blue cells, which shows the potential of colored cells in industrial applications.

Comparative Study of Si and SiC MOSFETs for High Voltage Class D Audio Amplifiers

DEFF Research Database (Denmark)

Nielsen, Dennis; Knott, Arnold; Andersen, Michael A. E.

2014-01-01

Silicon (Si) Metal-Oxide-Semiconductor Field-Effect Transistors (MOSFETs) are traditional utilised in class D audio amplifiers. It has been proposed to replace the traditional inefficient electrodynamic transducer with the electrostatic transducer. This imposes new high voltage requirements...... on the MOSFETs of class D amplifiers, and significantly reduces the selection of suitable MOSFETs. As a consequence it is investigated, if Silicon-Carbide (SiC) MOSFETs could represent a valid alternative. The theory of pulse timing errors are revisited for the application of high voltage and capactive loaded...... class D amplifiers. It is shown, that SiC MOSFETs can compete with Si MSOFETs in terms of THD. Validation is done using simulations and a 500 V amplifier driving a 100 nF load. THD+N below 0.3 % is reported...

Effect of boron-doping on the luminescent and electrical properties of a CdS/Si heterostructure based on Si nanoporous pillar array

Energy Technology Data Exchange (ETDEWEB)

Yan, Ling Ling [Department of Physics and Laboratory of Material Physics, Zhengzhou University, Zhengzhou 450052 (China); College of Physics and Chemistry, Henan Polytechnic University, Jiaozuo 454000 (China); Wang, Xiao Bo [Department of Physics and Laboratory of Material Physics, Zhengzhou University, Zhengzhou 450052 (China); College of Physics and Electrical Engineering, Anyang Normal University, Anyang 455000 (China); Cai, Xiao Jun [Department of Physics and Laboratory of Material Physics, Zhengzhou University, Zhengzhou 450052 (China); Li, Xin Jian, E-mail: lixj@zzu.edu.cn [Department of Physics and Laboratory of Material Physics, Zhengzhou University, Zhengzhou 450052 (China)

2015-05-25

Highlights: • B-doped CdS/Si-NPA heterostructure was prepared by a CBD method. • B-doping does not affect the crystal structure and surface morphology of CdS/Si-NPA. • The optical/electrical properties of CdS/Si-NPA could be tuned by changing [B]/[Cd] ratio. • CdS/Si-NPA with optimal physical properties could be prepared with [B]/[Cd] = 0.01. • The method may find applications in preparing CdS/Si-NPA devices with high device performances. - Abstract: Using silicon nanoporous pillar array (Si-NPA) as substrates and boric acid as dopant source, a series of CdS/Si nanoheterostructures were prepared by growing B-doped CdS thin films on Si-NPA via a chemical bath deposition (CBD) method. The structural, optical and electrical properties of CdS/Si-NPA were studied as a function of the [B]/[Cd] ratio of the initial CBD solutions. Our results disclosed that B concentration could be tuned effectively through changing the ratio of [B]/[Cd], which would bring large variation on the optical and electrical properties of CdS/Si-NPA without affecting its crystal structure and surface morphology. The samples with optimal optical and electrical properties were prepared with [B]/[Cd] = 0.01, in which the physical properties of relatively strong light absorption, small electrical resistivity, low turn-on voltage, small leakage current density and high breakdown voltage could be obtained. These results indicated that B-doping might be an effective path for promoting the performance of the optoelectronic devices based on CdS/Si-NPA.

Numerical simulations: Toward the design of 27.6% efficient four-terminal semi-transparent perovskite/SiC passivated rear contact silicon tandem solar cell

Science.gov (United States)

Pandey, Rahul; Chaujar, Rishu

2016-12-01

In this work, a novel four-terminal perovskite/SiC-based rear contact silicon tandem solar cell device has been proposed and simulated to achieve 27.6% power conversion efficiency (PCE) under single AM1.5 illumination. 20.9% efficient semitransparent perovskite top subcell has been used for perovskite/silicon tandem architecture. The tandem structure of perovskite-silicon solar cells is a promising method to achieve efficient solar energy conversion at low cost. In the four-terminal tandem configuration, the cells are connected independently and hence avoids the need for current matching between top and bottom subcell, thus giving greater design flexibility. The simulation analysis shows, PCE of 27.6% and 22.4% with 300 μm and 10 μm thick rear contact Si bottom subcell, respectively. This is a substantial improvement comparing to transparent perovskite solar cell and c-Si solar cell operated individually. The impact of perovskite layer thickness, monomolecular, bimolecular, and trimolecular recombination have also been obtained on the performance of perovskite top subcell. Reported PCEs of 27.6% and 22.4% are 1.25 times and 1.42 times higher as compared to experimentally available efficiencies of 22.1% and 15.7% in 300 μm and 10 μm thick stand-alone silicon solar cell devices, respectively. The presence of SiC significantly suppressed the interface recombination in bottom silicon subcell. Detailed realistic technology computer aided design (TCAD) analysis has been performed to predict the behaviour of the device.

A data integration approach for cell cycle analysis oriented to model simulation in systems biology

Directory of Open Access Journals (Sweden)

Mosca Ettore

2007-08-01

Full Text Available Abstract Background The cell cycle is one of the biological processes most frequently investigated in systems biology studies and it involves the knowledge of a large number of genes and networks of protein interactions. A deep knowledge of the molecular aspect of this biological process can contribute to making cancer research more accurate and innovative. In this context the mathematical modelling of the cell cycle has a relevant role to quantify the behaviour of each component of the systems. The mathematical modelling of a biological process such as the cell cycle allows a systemic description that helps to highlight some features such as emergent properties which could be hidden when the analysis is performed only from a reductionism point of view. Moreover, in modelling complex systems, a complete annotation of all the components is equally important to understand the interaction mechanism inside the network: for this reason data integration of the model components has high relevance in systems biology studies. Description In this work, we present a resource, the Cell Cycle Database, intended to support systems biology analysis on the Cell Cycle process, based on two organisms, yeast and mammalian. The database integrates information about genes and proteins involved in the cell cycle process, stores complete models of the interaction networks and allows the mathematical simulation over time of the quantitative behaviour of each component. To accomplish this task, we developed, a web interface for browsing information related to cell cycle genes, proteins and mathematical models. In this framework, we have implemented a pipeline which allows users to deal with the mathematical part of the models, in order to solve, using different variables, the ordinary differential equation systems that describe the biological process. Conclusion This integrated system is freely available in order to support systems biology research on the cell cycle and

Valence band variation in Si (110) nanowire induced by a covered insulator

International Nuclear Information System (INIS)

Hong-Hua, Xu; Xiao-Yan, Liu; Yu-Hui, He; Gang, Du; Ru-Qi, Han; Jin-Feng, Kang; Chun, Fan; Ai-Dong, Sun

2010-01-01

In this work, we investigate strain effects induced by the deposition of gate dielectrics on the valence band structures in Si (110) nanowire via the simulation of strain distribution and the calculation of a generalized 6×6k·p strained valence band. The nanowire is surrounded by the gate dielectric. Our simulation indicates that the strain of the amorphous SiO 2 insulator is negligible without considering temperature factors. On the other hand, the thermal residual strain in a nanowire with amorphous SiO 2 insulator which has negligible lattice misfit strain pushes the valence subbands upwards by chemical vapour deposition and downwards by thermal oxidation treatment. In contrast with the strain of the amorphous SiO 2 insulator, the strain of the HfO 2 gate insulator in Si (110) nanowire pushes the valence subbands upwards remarkably. The thermal residual strain by HfO 2 insulator contributes to the up-shifting tendency. Our simulation results for valence band shifting and warping in Si nanowires can provide useful guidance for further nanowire device design. (classical areas of phenomenology)

Ultra-low Thermal Conductivity in Si/Ge Hierarchical Superlattice Nanowire.

Science.gov (United States)

Mu, Xin; Wang, Lili; Yang, Xueming; Zhang, Pu; To, Albert C; Luo, Tengfei

2015-11-16

Due to interfacial phonon scattering and nanoscale size effect, silicon/germanium (Si/Ge) superlattice nanowire (SNW) can have very low thermal conductivity, which is very attractive for thermoelectrics. In this paper, we demonstrate using molecular dynamics simulations that the already low thermal conductivity of Si/Ge SNW can be further reduced by introducing hierarchical structure to form Si/Ge hierarchical superlattice nanowire (H-SNW). The structural hierarchy introduces defects to disrupt the periodicity of regular SNW and scatters coherent phonons, which are the key contributors to thermal transport in regular SNW. Our simulation results show that periodically arranged defects in Si/Ge H-SNW lead to a ~38% reduction of the already low thermal conductivity of regular Si/Ge SNW. By randomizing the arrangement of defects and imposing additional surface complexities to enhance phonon scattering, further reduction in thermal conductivity can be achieved. Compared to pure Si nanowire, the thermal conductivity reduction of Si/Ge H-SNW can be as large as ~95%. It is concluded that the hierarchical structuring is an effective way of reducing thermal conductivity significantly in SNW, which can be a promising path for improving the efficiency of Si/Ge-based SNW thermoelectrics.

Recovery of hexagonal Si-IV nanowires from extreme GPa pressure

Energy Technology Data Exchange (ETDEWEB)

Smith, Bennett E. [Department of Chemistry, University of Washington, Seattle, Washington 98195 (United States); Zhou, Xuezhe; Roder, Paden B. [Department of Materials Science and Engineering, University of Washington, Seattle, Washington 98195 (United States); Abramson, Evan H. [Department of Earth and Space Sciences, University of Washington, Seattle, Washington 98195 (United States); Pauzauskie, Peter J., E-mail: peterpz@uw.edu [Department of Materials Science and Engineering, University of Washington, Seattle, Washington 98195 (United States); Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States)

2016-05-14

We use Raman spectroscopy in tandem with transmission electron microscopy and density functional theory simulations to show that extreme (GPa) pressure converts the phase of silicon nanowires from cubic (Si-I) to hexagonal (Si-IV) while preserving the nanowire's cylindrical morphology. In situ Raman scattering of the longitudinal transverse optical (LTO) mode demonstrates the high-pressure Si-I to Si-II phase transition near 9 GPa. Raman signal of the LTO phonon shows a decrease in intensity in the range of 9–14 GPa. Then, at 17 GPa, it is no longer detectable, indicating a second phase change (Si-II to Si-V) in the 14–17 GPa range. Recovery of exotic phases in individual silicon nanowires from diamond anvil cell experiments reaching 17 GPa is also shown. Raman measurements indicate Si-IV as the dominant phase in pressurized nanowires after decompression. Transmission electron microscopy and electron diffraction confirm crystalline Si-IV domains in individual nanowires. Computational electromagnetic simulations suggest that heating from the Raman laser probe is negligible and that near-hydrostatic pressure is the primary driving force for the formation of hexagonal silicon nanowires.

Phase Stability and Thermal Conductivity of Composite Environmental Barrier Coatings on SiC/SiC Ceramic Matrix Composites

Science.gov (United States)

Benkel, Samantha; Zhu, Dongming

2011-01-01

Advanced environmental barrier coatings are being developed to protect SiC/SiC ceramic matrix composites in harsh combustion environments. The current coating development emphasis has been placed on the significantly improved cyclic durability and combustion environment stability in high-heat-flux and high velocity gas turbine engine environments. Environmental barrier coating systems based on hafnia (HfO2) and ytterbium silicate, HfO2-Si nano-composite bond coat systems have been processed and their stability and thermal conductivity behavior have been evaluated in simulated turbine environments. The incorporation of Silicon Carbide Nanotubes (SiCNT) into high stability (HfO2) and/or HfO2-silicon composite bond coats, along with ZrO2, HfO2 and rare earth silicate composite top coat systems, showed promise as excellent environmental barriers to protect the SiC/SiC ceramic matrix composites.

Scattering mechanisms in shallow undoped Si/SiGe quantum wells

Directory of Open Access Journals (Sweden)

D. Laroche

2015-10-01

Full Text Available We report the magneto-transport study and scattering mechanism analysis of a series of increasingly shallow Si/SiGe quantum wells with depth ranging from ∼ 100 nm to ∼ 10 nm away from the heterostructure surface. The peak mobility increases with depth, suggesting that charge centers near the oxide/semiconductor interface are the dominant scattering source. The power-law exponent of the electron mobility versus density curve, μ ∝ nα, is extracted as a function of the depth of the Si quantum well. At intermediate densities, the power-law dependence is characterized by α ∼ 2.3. At the highest achievable densities in the quantum wells buried at intermediate depth, an exponent α ∼ 5 is observed. We propose and show by simulations that this increase in the mobility dependence on the density can be explained by a non-equilibrium model where trapped electrons smooth out the potential landscape seen by the two-dimensional electron gas.

A 3D kinetic Monte Carlo simulation study of resistive switching processes in Ni/HfO2/Si-n+-based RRAMs

International Nuclear Information System (INIS)

Aldana, S; García-Fernández, P; Jiménez-Molinos, F; Gómez-Campos, F; Roldán, J B; Rodríguez-Fernández, Alberto; Romero-Zaliz, R; González, M B; Campabadal, F

2017-01-01

A new RRAM simulation tool based on a 3D kinetic Monte Carlo algorithm has been implemented. The redox reactions and migration of cations are developed taking into consideration the temperature and electric potential 3D distributions within the device dielectric at each simulation time step. The filamentary conduction has been described by obtaining the percolation paths formed by metallic atoms. Ni/HfO 2 /Si-n + unipolar devices have been fabricated and measured. The different experimental characteristics of the devices under study have been reproduced with accuracy by means of simulations. The main physical variables can be extracted at any simulation time to clarify the physics behind resistive switching; in particular, the final conductive filament shape can be studied in detail. (paper)

SI: The Stellar Imager

Science.gov (United States)

Carpenter, Kenneth G.; Schrijver, Carolus J.; Karovska, Margarita

2006-01-01

The ultra-sharp images of the Stellar Imager (SI) will revolutionize our view of many dynamic astrophysical processes: The 0.1 milliarcsec resolution of this deep-space telescope will transform point sources into extended sources, and simple snapshots into spellbinding evolving views. SI s science focuses on the role of magnetism in the Universe, particularly on magnetic activity on the surfaces of stars like the Sun. SI s prime goal is to enable long-term forecasting of solar activity and the space weather that it drives in support of the Living With a Star program in the Exploration Era by imaging a sample of magnetically active stars with enough resolution to map their evolving dynamo patterns and their internal flows. By exploring the Universe at ultra-high resolution, SI will also revolutionize our understanding of the formation of planetary systems, of the habitability and climatology of distant planets, and of many magnetohydrodynamically controlled structures and processes in the Universe.

Rotationally resolved pulsed-field ionization photoelectron bands for O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}=0-12) in the energy range of 17.0-18.2 eV

Energy Technology Data Exchange (ETDEWEB)

Song, Y. [Ames Laboratory, U.S. Department of Energy and Department of Chemistry, Iowa State University, Ames, Iowa 50011 (United States); Evans, M. [Ames Laboratory, U.S. Department of Energy and Department of Chemistry, Iowa State University, Ames, Iowa 50011 (United States); Ng, C. Y. [Ames Laboratory, U.S. Department of Energy and Department of Chemistry, Iowa State University, Ames, Iowa 50011 (United States); Hsu, C.-W. [Chemical Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Jarvis, G. K. [Chemical Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

2000-01-15

We have obtained rotationally resolved pulsed-field ionization photoelectron (PFI-PE) spectra for O{sub 2} in the energy range of 17.05-18.13 eV, covering the ionization transitions O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}=0-12,N{sup +})(<-)O{sub 2}(X {sup 3}{sigma}{sub g}{sup -},v{sup ''}=0,N{sup ''}). Although these O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}) PFI-PE bands have significant overlaps with vibrational bands for O{sub 2}{sup +}(a {sup 4}{pi}{sub u}) and O{sub 2}{sup +}(X {sup 2}{pi}{sub g}), we have identified all the O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}=0-12) bands by simulation of spectra obtained using supersonically cooled O{sub 2} samples with rotational temperatures {approx_equal}20 and 220 K. While these v{sup +}=0-12 PFI-PE bands represent the first rotationally resolved photoelectron data for O{sub 2}{sup +}(A {sup 2}{pi}{sub u}), the PFI-PE bands for O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}=9 and 10) are the first rotationally resolved spectroscopic data for these levels. The simulation also allows the determination of accurate ionization energies, vibrational constants, and rotational constants for O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}=0-12). The analysis of the PFI-PE spectra supports the conclusion of the previous emission study that the O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}=9 and 10) states are strongly perturbed by a nearby electronic state. (c) 2000 American Institute of Physics.

Effects of dual-ion irradiation on the swelling of SiC/SiC composites

International Nuclear Information System (INIS)

Kishimoto, Hirotatsu; Kohyama, Akira; Ozawa, Kazumi; Kondo, Sosuke

2005-01-01

Silicon carbide (SiC) matrix composites reinforced by SiC fibers is a candidate structural material of fusion gas-cooled blanket system. From the viewpoint of material designs, it is important to investigate the swelling by irradiation, which results from the accumulation of displacement damages. In the fusion environment, (n, α) nuclear reactions are considered to produce helium gas in SiC. For the microstructural evolution, a dual-ion irradiation method is able to simulate the effects of helium. In the present research, 1.7 MeV tandem and 1 MeV single-end accelerators were used for Si self-ion irradiation and helium implantation, respectively. The average helium over displacement per atom (dpa) ratio in SiC was adjusted to 60 appm/dpa. The irradiation temperature ranged from room temperature to 1400degC. The irradiation-induced swelling was measured by the step height method. Helium that was implanted simultaneously with displacement damages in dual-ion irradiated SiC increased the swelling that was larger than that by single-ion irradiated SiC below 800degC. Since this increase was not observed above 1000degC, the interaction of helium and displacement damages was considered to change above 800degC. In this paper, the microstructural behavior and dimensional stability of SiC materials under the fusion relevant environment are discussed. (author)

Modeling and simulation of viscoelastic biological particles' 3D manipulation using atomic force microscopy

Science.gov (United States)

Korayem, M. H.; Habibi Sooha, Y.; Rastegar, Z.

2018-05-01

Manipulation of the biological particles by atomic force microscopy is used to transfer these particles inside body's cells, diagnosis and destruction of the cancer cells and drug delivery to damaged cells. According to the impossibility of simultaneous observation of this process, the importance of modeling and simulation can be realized. The contact of the tip with biological particle is important during manipulation, therefore, the first step of the modeling is choosing appropriate contact model. Most of the studies about contact between atomic force microscopy and biological particles, consider the biological particle as an elastic material. This is not an appropriate assumption because biological cells are basically soft and this assumption ignores loading history. In this paper, elastic and viscoelastic JKR theories were used in modeling and simulation of the 3D manipulation for three modes of tip-particle sliding, particle-substrate sliding and particle-substrate rolling. Results showed that critical force and time in motion modes (sliding and rolling) for two elastic and viscoelastic states are very close but these magnitudes were lower in the viscoelastic state. Then, three friction models, Coulomb, LuGre and HK, were used for tip-particle sliding mode in the first phase of manipulation to make results closer to reality. In both Coulomb and LuGre models, critical force and time are very close for elastic and viscoelastic states but in general critical force and time prediction of HK model was higher than LuGre and the LuGre model itself had higher prediction than Coulomb.

Evolution of Radiation Induced Defects in SiC: A Multiscale Simulation Approach

Science.gov (United States)

Jiang, Hao

Because of various excellent properties, SiC has been proposed for many applications in nuclear reactors including cladding layers in fuel rod, fission products container in TRISO fuel, and first wall/blanket in magnetic controlled fusion reactors. Upon exposure to high energy radiation environments, point defects and defect clusters are generated in materials in amounts significantly exceeding their equilibrium concentrations. The accumulation of defects can lead to undesired consequences such as crystalline-to-amorphous transformation1, swelling, and embrittlement, and these phenomena can adversely affect the lifetime of SiC based components in nuclear reactors. It is of great importance to understand the accumulation process of these defects in order to estimate change in properties of this material and to design components with superior ability to withstand radiation damages. Defect clusters are widely in SiC irradiated at the operation temperatures of various reactors. These clusters are believed to cause more than half of the overall swelling of irradiated SiC and can potentially lead to lowered thermal conductivity and mechanical strength. It is critical to understand the formation and growth of these clusters. Diffusion of these clusters is one importance piece to determine the growth rate of clusters; however it is unclear so far due to the challenges in simulating rare events. Using a combination of kinetic Activation Relaxation Technique with empirical potential and ab initio based climbing image nudged elastic band method, I performed an extensive search of the migration paths of the most stable carbon tri-interstitial cluster in SiC. This research reveals paths with the lowest energy barriers to migration, rotation, and dissociation of the most stable cluster. Based on these energy barriers, I concluded defect clusters are thermally immobile at temperatures lower than 1500 K and can dissociate into smaller clusters and single interstitials at

Measurement, modeling, and simulation of cryogenic SiGe HBT amplifier circuits for fast single spin readout

Science.gov (United States)

England, Troy; Curry, Matthew; Carr, Steve; Swartzentruber, Brian; Lilly, Michael; Bishop, Nathan; Carrol, Malcolm

2015-03-01

Fast, low-power quantum state readout is one of many challenges facing quantum information processing. Single electron transistors (SETs) are potentially fast, sensitive detectors for performing spin readout of electrons bound to Si:P donors. From a circuit perspective, however, their output impedance and nonlinear conductance are ill suited to drive the parasitic capacitance typical of coaxial conductors used in cryogenic environments, necessitating a cryogenic amplification stage. We will discuss calibration data, as well as modeling and simulation of cryogenic silicon-germanium (SiGe) heterojunction bipolar transistor (HBT) circuits connected to a silicon SET and operating at 4 K. We find a continuum of solutions from simple, single-HBT amplifiers to more complex, multi-HBT circuits suitable for integration, with varying noise levels and power vs. bandwidth tradeoffs. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. DOE Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the U. S. Department of Energy under Contract No. DE-AC04-94AL85000.

A simulation-based proposed high-k heterostructure AlGaAs/Si junctionless n-type tunnel FET

International Nuclear Information System (INIS)

Rahi Shiromani Balmukund; Asthana Pranav; Ghosh Bahniman

2014-01-01

We propose a heterostructure junctionless tunnel field effect transistor (HJL-TFET) using AlGaAs/Si. In the proposed HJL-TFET, low band gap silicon is used in the source side and higher band gap AlGaAs in the drain side. The whole AlGaAs/Si region is heavily doped n-type. The proposed HJL-TFET uses two isolated gates (named gate, gate1) with two different work functions (gate = 4.2 eV, gate1 = 5.2 eV respectively). The 2-D nature of HJL-TFET current flow is studied. The proposed structure is simulated in Silvaco with different gate dielectric materials. This structure exhibits a high on current in the range of 1.4 × 10 −6 A/μm, the off current remains as low as 9.1 × 10 −14 A/μm. So I ON /I OFF ratio of ≃ 10 8 is achieved. Point subthreshold swing has also been reduced to a value of ≃ 41 mV/decade for TiO 2 gate material. (semiconductor devices)

Study of strained-Si p-channel MOSFETs with HfO2 gate dielectric

Science.gov (United States)

Pradhan, Diana; Das, Sanghamitra; Dash, Tara Prasanna

2016-10-01

In this work, the transconductance of strained-Si p-MOSFETs with high-K dielectric (HfO2) as gate oxide, has been presented through simulation using the TCAD tool Silvaco-ATLAS. The results have been compared with a SiO2/strained-Si p-MOSFET device. Peak transconductance enhancement factors of 2.97 and 2.73 has been obtained for strained-Si p-MOSFETs in comparison to bulk Si channel p-MOSFETs with SiO2 and high-K dielectric respectively. This behavior is in good agreement with the reported experimental results. The transconductance of the strained-Si device at low temperatures has also been simulated. As expected, the mobility and hence the transconductance increases at lower temperatures due to reduced phonon scattering. However, the enhancements with high-K gate dielectric is less as compared to that with SiO2.

The Effect of SiC Polytypes on the Heat Distribution Efficiency of a Phase Change Memory.

Science.gov (United States)

Aziz, M. S.; Mohammed, Z.; Alip, R. I.

2018-03-01

The amorphous to crystalline transition of germanium-antimony-tellurium (GST) using three types of silicon carbide’s structure as a heating element was investigated. Simulation was done using COMSOL Multiphysic 5.0 software with separate heater structure. Silicon carbide (SiC) has three types of structure; 3C-SiC, 4H-SiC and 6H-SiC. These structures have a different thermal conductivity. The temperature of GST and phase transition of GST can be obtained from the simulation. The temperature of GST when using 3C-SiC, 4H-SiC and 6H-SiC are 467K, 466K and 460K, respectively. The phase transition of GST from amorphous to crystalline state for three type of SiC’s structure can be determined in this simulation. Based on the result, the thermal conductivity of SiC can affecting the temperature of GST and changed of phase change memory (PCM).

Study the radiation damage effects in Si microstrip detectors for future HEP experiments

International Nuclear Information System (INIS)

Lalwani, Kavita; Jain, Geetika; Dalal, Ranjeet; Ranjan, Kirti; Bhardwaj, Ashutosh

2016-01-01

Silicon (Si) detectors are playing a key role in High Energy Physics (HEP) experiments due to their superior tracking capabilities. In future HEP experiments, like upgrade of the Compact Muon Solenoid (CMS) experiment at the Large Hadron Collider (LHC), CERN, the silicon tracking detectors will be operated in a very intense radiation environment. This leads to both surface and bulk damage in Si detectors, which in turn will affect the operating performance of Si detectors. It is important to complement the measurements of the irradiated Si strip detectors with device simulation, which helps in understanding of both the device behavior and optimizing the design parameters needed for the future Si tracking system. An important ingredient of the device simulation is to develop a radiation damage model incorporating both bulk and surface damage. In this work, a simplified two-trap model is incorporated in device simulation to describe the type-inversion. Further, an extensive simulation of effective doping density as well as electric field profile is carried out at different temperatures for various fluences.

Study the radiation damage effects in Si microstrip detectors for future HEP experiments

Energy Technology Data Exchange (ETDEWEB)

Lalwani, Kavita, E-mail: kavita.phy@mnit.ac.in [Malaviya National Institute of Technology (MNIT) Jaipur, Jaipur-302017 (India); Jain, Geetika; Dalal, Ranjeet; Ranjan, Kirti; Bhardwaj, Ashutosh [University of Delhi (DU), Delhi-110007 (India)

2016-07-15

Silicon (Si) detectors are playing a key role in High Energy Physics (HEP) experiments due to their superior tracking capabilities. In future HEP experiments, like upgrade of the Compact Muon Solenoid (CMS) experiment at the Large Hadron Collider (LHC), CERN, the silicon tracking detectors will be operated in a very intense radiation environment. This leads to both surface and bulk damage in Si detectors, which in turn will affect the operating performance of Si detectors. It is important to complement the measurements of the irradiated Si strip detectors with device simulation, which helps in understanding of both the device behavior and optimizing the design parameters needed for the future Si tracking system. An important ingredient of the device simulation is to develop a radiation damage model incorporating both bulk and surface damage. In this work, a simplified two-trap model is incorporated in device simulation to describe the type-inversion. Further, an extensive simulation of effective doping density as well as electric field profile is carried out at different temperatures for various fluences.

Synthesis, characterization, and 3D-FDTD simulation of Ag@SiO2 nanoparticles for shell-isolated nanoparticle-enhanced Raman spectroscopy.

Science.gov (United States)

Uzayisenga, Viviane; Lin, Xiao-Dong; Li, Li-Mei; Anema, Jason R; Yang, Zhi-Lin; Huang, Yi-Fan; Lin, Hai-Xin; Li, Song-Bo; Li, Jian-Feng; Tian, Zhong-Qun

2012-06-19

Au-seed Ag-growth nanoparticles of controllable diameter (50-100 nm), and having an ultrathin SiO(2) shell of controllable thickness (2-3 nm), were prepared for shell-isolated nanoparticle-enhanced Raman spectroscopy (SHINERS). Their morphological, optical, and material properties were characterized; and their potential for use as a versatile Raman signal amplifier was investigated experimentally using pyridine as a probe molecule and theoretically by the three-dimensional finite-difference time-domain (3D-FDTD) method. We show that a SiO(2) shell as thin as 2 nm can be synthesized pinhole-free on the Ag surface of a nanoparticle, which then becomes the core. The dielectric SiO(2) shell serves to isolate the Raman-signal enhancing core and prevent it from interfering with the system under study. The SiO(2) shell also hinders oxidation of the Ag surface and nanoparticle aggregation. It significantly improves the stability and reproducibility of surface-enhanced Raman scattering (SERS) signal intensity, which is essential for SERS applications. Our 3D-FDTD simulations show that Ag-core SHINERS nanoparticles yield at least 2 orders of magnitude greater enhancement than Au-core ones when excited with green light on a smooth Ag surface, and thus add to the versatility of our SHINERS method.

Thermodynamic modeling of Al–U–X (X = Si,Zr)

International Nuclear Information System (INIS)

Rabin, Daniel; Shneck, Roni Z.; Rafailov, Gennady; Dahan, Isaac; Meshi, Louisa; Brosh, Eli

2015-01-01

Highlights: • Thermodynamic models of the U–Al–Si and U–Al–Zr systems were constructed. • The extrapolation methods of the ternary liquid phase were explored. • The order–disorder transition of the U(Al,Si) 3 phase was modeled. • New experiments fix the composition of U(Al,Si) 3 in equilibrium with Al and Si. • Effects of Si on microstructures of solidified U–Al alloys are clarified. - Abstract: Thermodynamic models are constructed for the U–Al–Si and U–A–Zr ternary alloy systems using the CALPHAD (CALculation of PHAse Diagrams) method. For the U–Al–Zr system the modeling covers only the aluminum-rich corner (from 100 at% to 67 at% Al) and is based only on literature data. For the U–Al–Si system, the whole range of compositions is covered and new key experiments were done in the uranium-poor region of the U–Al–Si system. These experiments have shown that under conditions of equilibrium with Al and Si, the Si-content of the U(Al,Si) 3 is significantly higher than reported by earlier works. Different extrapolation methods were tried for the Gibbs energy of the liquid phase. However, it was found that for the U–Al–Si and U–Al–Zr systems, symmetric Muggianu method and the asymmetric method by Hillert give similar predictions. The constructed thermodynamic database was investigated by calculating isothermal sections, vertical sections and the liquidus projection. The calculated diagrams are in reasonable agreement with experimental data. Finally, solidification simulation (Scheil simulation) was done in order to assess the phases obtained in solidification as a function of the silicon addition to U–Al alloys

Adsorption and dissociation of oxygen molecules on Si(111)-(7×7) surface

International Nuclear Information System (INIS)

Niu, Chun-Yao; Wang, Jian-Tao

2013-01-01

The adsorption and dissociation of O 2 molecules on Si(111)-(7×7) surface have been studied by first-principles calculations. Our results show that all the O 2 molecular species adsorbed on Si(111)-(7×7) surface are unstable and dissociate into atomic species with a small energy barrier about 0.1 eV. The single O 2 molecule adsorption tends to form an ins×2 or a new metastable ins×2* structure on the Si adatom sites and the further coming O 2 molecules adsorb on those structures to produce an ad-ins×3 structure. The ad-ins×3 structure is indeed highly stable and kinetically limited for diving into the subsurface layer to form the ins×3-tri structure by a large barrier of 1.3 eV. Unlike the previous views, we find that all the ad-ins, ins×2, and ad-ins×3 structures show bright images, while the ins×2*, ins×3, and ins×3-tri structures show dark images. The proposed oxidation pathways and simulated scanning tunneling microscope images account well for the experimental results and resolve the long-standing confusion and issue about the adsorption and reaction of O 2 molecules on Si(111) surface

Crack growth and fracture toughness of amorphous Li-Si anodes: Mechanisms and role of charging/discharging studied by atomistic simulations

Science.gov (United States)

Khosrownejad, S. M.; Curtin, W. A.

2017-10-01

Fracture is the main cause of degradation and capacity fading in lithiated silicon during cycling. Experiments on the fracture of lithiated silicon show conflicting results, and so mechanistic models can help interpret experiments and guide component design. Here, large-scale K-controlled atomistic simulations of crack propagation (R-curve KI vs. Δa) are performed at LixSi compositions x = 0.5 , 1.0 , 1.5 for as-quenched/relaxed samples and at x = 0.5 , 1.0 for samples created by discharging from higher Li compositions. In all cases, the fracture mechanism is void nucleation, growth, and coalescence. In as-quenched materials, with increasing Li content the plastic flow stress and elastic moduli decrease but void nucleation and growth happen at smaller stress, so that the initial fracture toughness KIc ≈ 1.0 MPa√{ m} decreases slightly but the initial fracture energy JIc ≈ 10.5J/m2 is similar. After 10 nm of crack growth, the fracture toughnesses increase and become similar at KIc ≈ 1.9 MPa√{ m} across all compositions. Plane-strain equi-biaxial expansion simulations of uncracked samples provide complementary information on void nucleation and growth. The simulations are interpreted within the framework of Gurson model for ductile fracture, which predicts JIc = ασy D where α ≃ 1 and D is the void spacing, and good agreement is found. In spite of flowing plastically, the fracture toughness of LixSi is low because voids nucleate within nano-sized distances ahead of the crack (D ≈ 1nm). Scaling simulation results to experimental conditions, reasonable agreement with experimentally-estimated fracture toughnesses is obtained. The discharging process facilitates void nucleation but decreases the flow stress (as shown previously), leading to enhanced fracture toughness at all levels of crack growth. Therefore, the fracture behavior of lithiated silicon at a given composition is not a material property but instead depends on the history of charging

63Ni schottky barrier nuclear battery of 4H-SiC

International Nuclear Information System (INIS)

Xiao-Ying Li; Yong Ren; Xue-Jiao Chen; Da-Yong Qiao; Wei-Zheng Yuan

2011-01-01

The design, fabrication, and testing of a 4H-SiC Schottky betavoltaic nuclear battery based on MEMS fabrication technology are presented in this paper. It uses a Schottky diode with an active area of 3.14 mm 2 to collect the charge from a 4 mCi/cm 2 63 Ni source. Some of the critical steps in process integration for fabricating silicon carbide-based Schottky diode were addressed. A prototype of this battery was fabricated and tested under the illumination of the 63 Ni source with an activity of 0.12 mCi. An open circuit voltage (V OC ) of 0.27 V and a short circuit current density (J SC ) of 25.57 nA/cm 2 are measured. The maximum output power density (P max ) of 4.08 nW/cm 2 and power conversion efficiency (η) of 1.01% is obtained. The performance of this battery is expected to be significantly improved by using larger activity and optimizing the design and processing technology of the battery. By achieving comparable performance with previously constructed p-n or p-i-n junction energy conversion structures, the Schottky barrier diode proves to be a feasible approach to achieve practical betavoltaics. (author)

Different strain relaxation mechanisms in strained Si/Si sub 1 sub - sub x Ge sub x /Si heterostructures by high dose B sup + and BF sub 2 sup + doping

CERN Document Server

Chen, C C; Zhang, S L; Zhu, D Z; Vantomme, A

2002-01-01

Strained Si/Si sub 0 sub . sub 8 Ge sub 0 sub . sub 2 /Si heterostructures are implanted at room temperature with 7.5 keV B sup + and 33 keV BF sub 2 sup + ions to a high dose of 2x10 sup 1 sup 5 ions/cm sup 2 , respectively. The samples are subsequently subjected to three-step anneals (spacer anneal, oxidation anneal and rapid thermal anneal), which are used to simulate a real fabrication process of SiGe-based MOSFET devices. The damage induced by implantation and its recovery are characterized by 2 MeV sup 4 He sup + RBS/channeling spectrometry. A damage layer on the surface is induced by B sup + implantation, but BF sup + sub 2 ion implantation amorphizes the surface of Si/Si sub 0 sub . sub 8 Ge sub 0 sub . sub 2 /Si heterostructure. Channeling angular scans along the axial direction demonstrate that the strain stored in the SiGe layer could be nearly completely retained for the B sup + implanted and subsequently annealed sample. However, the strain in the BF sub 2 sup + implanted/annealed SiGe layer has...

Impurities and evaluation of induced activity of CVI SiCf/SiC composites

International Nuclear Information System (INIS)

Noda, Tetsuji; Fujita, Mitsutane; Araki, Hiroshi; Kohyama, Akira

2000-01-01

Impurity of SiC f /SiC composites prepared by CVI was analyzed by neutron activation analysis and glow discharge mass spectrometry. The evaluation of the induced activity of the composites based on the chemical compositions was made using a simulation calculation for fusion reactor blanket. Impurities of 35 elements were detected in the composites. However, the total concentration of metallic impurities was below 20 mass ppm. The analyses of induced activity of the composites show that the dose rate decreases by about six orders of magnitude in a day after the shutdown. It is recommended that the purification of SiC composites, especially reduction of Fe and Ni contents, is necessary to reduce the activity to satisfy the limit of remote handling recycling after several 10 years cooling of fusion reactors

Synthesis and fundamental properties of stable Ph(3)SnSiH(3) and Ph(3)SnGeH(3) hydrides: model compounds for the design of Si-Ge-Sn photonic alloys.

Science.gov (United States)

Tice, Jesse B; Chizmeshya, Andrew V G; Groy, Thomas L; Kouvetakis, John

2009-07-06

The compounds Ph(3)SnSiH(3) and Ph(3)SnGeH(3) (Ph = C(6)H(5)) have been synthesized as colorless solids containing Sn-MH(3) (M = Si, Ge) moieties that are stable in air despite the presence of multiple and highly reactive Si-H and Ge-H bonds. These molecules are of interest since they represent potential model compounds for the design of new classes of IR semiconductors in the Si-Ge-Sn system. Their unexpected stability and high solubility also makes them a safe, convenient, and potentially useful delivery source of -SiH(3) and -GeH(3) ligands in molecular synthesis. The structure and composition of both compounds has been determined by chemical analysis and a range of spectroscopic methods including multinuclear NMR. Single crystal X-ray structures were determined and indicated that both compounds condense in a Z = 2 triclinic (P1) space group with lattice parameters (a = 9.7754(4) A, b = 9.8008(4) A, c = 10.4093(5) A, alpha = 73.35(10)(o), beta = 65.39(10)(o), gamma = 73.18(10)(o)) for Ph(3)SnSiH(3) and (a = 9.7927(2) A, b = 9.8005(2) A, c = 10.4224(2) A, alpha = 74.01(3)(o), beta = 65.48(3)(o), gamma = 73.43(3)(o)) for Ph(3)SnGeH(3). First principles density functional theory simulations are used to corroborate the molecular structures of Ph(3)SnSiH(3) and Ph(3)SnGeH(3), gain valuable insight into the relative stability of the two compounds, and provide correlations between the Si-Sn and Ge-Sn bonds in the molecules and those in tetrahedral Si-Ge-Sn solids.

A finite element simulation of biological conversion processes in landfills.

Science.gov (United States)

Robeck, M; Ricken, T; Widmann, R

2011-04-01

Landfills are the most common way of waste disposal worldwide. Biological processes convert the organic material into an environmentally harmful landfill gas, which has an impact on the greenhouse effect. After the depositing of waste has been stopped, current conversion processes continue and emissions last for several decades and even up to 100years and longer. A good prediction of these processes is of high importance for landfill operators as well as for authorities, but suitable models for a realistic description of landfill processes are rather poor. In order to take the strong coupled conversion processes into account, a constitutive three-dimensional model based on the multiphase Theory of Porous Media (TPM) has been developed at the University of Duisburg-Essen. The theoretical formulations are implemented in the finite element code FEAP. With the presented calculation concept we are able to simulate the coupled processes that occur in an actual landfill. The model's theoretical background and the results of the simulations as well as the meantime successfully performed simulation of a real landfill body will be shown in the following. Copyright © 2010 Elsevier Ltd. All rights reserved.

B2O3/SiO2 substitution effect on structure and properties of Na2O-CaO-SrO-P2O5-SiO2 bioactive glasses from molecular dynamics simulations.

Science.gov (United States)

Ren, Mengguo; Lu, Xiaonan; Deng, Lu; Kuo, Po-Hsuen; Du, Jincheng

2018-05-23

The effect of B2O3/SiO2 substitution in SrO-containing 55S4.3 bioactive glasses on glass structure and properties, such as ionic diffusion and glass transition temperature, was investigated by combining experiments and molecular dynamics simulations with newly developed potentials. Both short-range (such as bond length and bond angle) and medium-range (such as polyhedral connection and ring size distribution) structures were determined as a function of glass composition. The simulation results were used to explain the experimental results for glass properties such as glass transition temperature and bioactivity. The fraction of bridging oxygen increased linearly with increasing B2O3 content, resulting in an increase in overall glass network connectivity. Ion diffusion behavior was found to be sensitive to changes in glass composition and the trend of the change with the level of substitution is also temperature dependent. The differential scanning calorimetry (DSC) results show a decrease in glass transition temperature (Tg) with increasing B2O3 content. This is explained by the increase in ion diffusion coefficient and decrease in ion diffusion energy barrier in glass melts, as suggested by high-temperature range (above Tg) ion diffusion calculations as B2O3/SiO2 substitution increases. In the low-temperature range (below Tg), the Ea for modifier ions increased with B2O3/SiO2 substitution, which can be explained by the increase in glass network connectivity. Vibrational density of states (VDOS) were calculated and show spectral feature changes as a result of the substitution. The change in bioactivity with B2O3/SiO2 substitution is discussed with the change in pH value and release of boric acid into the solution.

A MODELING AND SIMULATION LANGUAGE FOR BIOLOGICAL CELLS WITH COUPLED MECHANICAL AND CHEMICAL PROCESSES.

Science.gov (United States)

Somogyi, Endre; Glazier, James A

2017-04-01

Biological cells are the prototypical example of active matter. Cells sense and respond to mechanical, chemical and electrical environmental stimuli with a range of behaviors, including dynamic changes in morphology and mechanical properties, chemical uptake and secretion, cell differentiation, proliferation, death, and migration. Modeling and simulation of such dynamic phenomena poses a number of computational challenges. A modeling language describing cellular dynamics must naturally represent complex intra and extra-cellular spatial structures and coupled mechanical, chemical and electrical processes. Domain experts will find a modeling language most useful when it is based on concepts, terms and principles native to the problem domain. A compiler must then be able to generate an executable model from this physically motivated description. Finally, an executable model must efficiently calculate the time evolution of such dynamic and inhomogeneous phenomena. We present a spatial hybrid systems modeling language, compiler and mesh-free Lagrangian based simulation engine which will enable domain experts to define models using natural, biologically motivated constructs and to simulate time evolution of coupled cellular, mechanical and chemical processes acting on a time varying number of cells and their environment.

Strain and strain-release engineering at epitaxial SiGe islands on Si(0 0 1) for microelectronic applications

International Nuclear Information System (INIS)

Vastola, G.; Marzegalli, A.; Montalenti, F.; Miglio, Leo

2009-01-01

We report original finite element method simulations of the strain components at nanometric GeSi island on Si(0 0 1), for realistic shape, sizes and average composition, discussing the main mechanisms acting in the misfit strain relaxation. The tensile strain induced in a 30 nm Si capping layer and the one upon removing the island, after fixing the top part of the Si layer, is discussed in view of application as a field effect transistor channel, with high career mobility induced by the lattice deformation. The large shear components obtained for steeper island morphologies are predicted to be particularly performing, especially in comparison to one another strained-silicon configuration (totally top-down originated), recently developed by IBM corporation.

Microstructure Evolution and Durability of Advanced Environmental Barrier Coating Systems for SiC/SiC Ceramic Matrix Composites

Science.gov (United States)

Zhu, Dongming; Evans, Laura J.; McCue, Terry R.; Harder, Bryan

2016-01-01

Environmental barrier coated SiC-SiC ceramic matrix composites (CMCs) systems will play a crucial role in next generation turbine engines for hot-section component applications because of their ability to significantly increase engine operating temperatures with improved efficiency, reduce engine weight and cooling requirements. Advanced HfO2 and rare earth silicate environmental barrier coatings (EBCs), along with multicomponent hafnium and rare earth silicide EBC bond coats have been developed. The coating degradation mechanisms in the laboratory simulated engine thermal cycling, and fatigue-creep operating environments are also being investigated. This paper will focus on the microstructural and compositional evolutions of an advanced environmental barrier coating system on a SiC-SiC CMC substrate during the high temperature simulated durability tests, by using a Field Emission Gun Scanning Electron Microscopy, Energy Dispersive Spectroscopy (EDS) and Wavelength Dispersive Spectroscopy (WDS). The effects of Calcium-Magnesium-Alumino-Silicate (CMAS) from road sand or volcano-ash deposits on the degradation mechanisms of the environmental barrier coating systems will also be discussed. The detailed analysis results help understand the EBC-CMC system performance, aiming at the durability improvements to achieve more robust, prime-reliant environmental barrier coatings.

Temperature stability of c-axis oriented LiNbO{sub 3}/SiO{sub 2}/Si thin film layered structures

Energy Technology Data Exchange (ETDEWEB)

Tomar, Monika [Department of Physics and Astrophysics, University of Delhi, Delhi (India)]. E-mail: mtomar@physics.du.ac.in; monikatomar@rediffmail.com; Gupta, Vinay; Mansingh, Abhai; Sreenivas, K. [Department of Physics and Astrophysics, University of Delhi, Delhi (India)

2001-08-07

Theoretical calculations have been performed for the temperature stability of the c-axis oriented LiNbO{sub 3} thin film layered structures on passivated silicon (SiO{sub 2}/Si) substrate with and without a non-piezoelectric SiO{sub 2} overlayer. The phase velocity, electromechanical coupling coefficient and temperature coefficient of delay (TCD) have been calculated. The thicknesses of various layers have been determined for optimum SAW performance with zero TCD. The presence of a non-piezoelectric SiO{sub 2} overlayer on LiNbO{sub 3} film is found to significantly enhance the coupling coefficient. The optimized results reveal that a high coupling coefficient of K{sup 2}=3.45% and a zero TCD can be obtained in the SiO{sub 2}/LiNbO{sub 3}/SiO{sub 2}/Si structure with a 0.235{lambda} thick LiNbO{sub 3} layer sandwiched between 0.1{lambda} thick SiO{sub 2} layers. (author)

Investigation of γ-radiation defect formation at the Si-SiO2 interface

International Nuclear Information System (INIS)

Zaynabidinov, S.; Yulchiev, Sh.; Aliev, R.

2004-01-01

Full text: In work the results of an experimental research of process radiating defects formation on border are submitted undressed Si-SiO 2 at γ-radiation of the silicon MOS structures. As against similar researches the basic attention is given on the analysis of generation-recombination characteristics of structures, that allowed to establish character of the defects formation both on border undressed Si-SiO 2 , and in about border of Si. In experiments the structures received by thermal oxidation at T=1000 deg. C in environment of dry oxygen n-Si substrates with specific resistance ρ=0.3 Ω·cm are used. The thickness of oxygen layer made ∼0.1 μm. The test MOS-structures with an aluminium electrode and area ∼0.01 cm 2 irradiated with γ-quanta from the 60 Co source by a dose of 10 6 rad. The choice of a dose of an radiation is caused by that at such dose the essential increase of concentration of superficial defects is observed, and at the same time there are no significant changes of parameters of a substrate because of formation of point defects in volume of silicon. The generation characteristics of structures such, as speed of superficial generation s and time of life τ g of carriers of a charge in about surface before and after an radiation defined by a method isothermal relaxation of nonequilibrium high-frequency capacity. The relaxation of nonequilibrium capacity registered at submission on translating structure in a condition of deeper inversion. Such mode of measurement allows to neglect the contribution which is brought in recharged of superficial condition in superficial generation currents. Are received relaxation dependence of structures before and after an radiation, and also spectra of distribution of density of superficial condition on width of the forbidden zone Si dN ss /dE. The increase at 12-15 of time of concentration of superficial condition with E=E c -(0.18±0.03) eV in the irradiated structures is established. Such condition is

The structure of liquid Li-Si at the eutectic composition

International Nuclear Information System (INIS)

Jonc, P.H.K. de; Verkerk, P.

1993-01-01

Neutron diffraction data concerning liquid Li 57 Si 43 at 615 deg C and 800 deg C have been analyzed with the Reverse Monte Carlo method (RMC). The obtained Si-Si partial pair correlation functions at these two temperatures are well defined and the first maximum indicates that covalently bonded Si is present at both temperatures. The major part of the Si atoms are present in large clusters. These entities partially dissociate at increasing temperature. The results are compared with results from an ab-initio MD simulation of K Si and with RMC results for Li 65 Si 35 . (authors) 4 figs., 1 tab., 8 refs

Dissipative particle dynamics simulations for biological tissues: rheology and competition

International Nuclear Information System (INIS)

Basan, Markus; Prost, Jacques; Joanny, Jean-François; Elgeti, Jens

2011-01-01

In this work, we model biological tissues using a simple, mechanistic simulation based on dissipative particle dynamics. We investigate the continuum behavior of the simulated tissue and determine its dependence on the properties of the individual cell. Cells in our simulation adhere to each other, expand in volume, divide after reaching a specific size checkpoint and undergo apoptosis at a constant rate, leading to a steady-state homeostatic pressure in the tissue. We measure the dependence of the homeostatic state on the microscopic parameters of our model and show that homeostatic pressure, rather than the unconfined rate of cell division, determines the outcome of tissue competitions. Simulated cell aggregates are cohesive and round up due to the effect of tissue surface tension, which we measure for different tissues. Furthermore, mixtures of different cells unmix according to their adhesive properties. Using a variety of shear and creep simulations, we study tissue rheology by measuring yield stresses, shear viscosities, complex viscosities as well as the loss tangents as a function of model parameters. We find that cell division and apoptosis lead to a vanishing yield stress and fluid-like tissues. The effects of different adhesion strengths and levels of noise on the rheology of the tissue are also measured. In addition, we find that the level of cell division and apoptosis drives the diffusion of cells in the tissue. Finally, we present a method for measuring the compressibility of the tissue and its response to external stress via cell division and apoptosis

Back scattering involving embedded silicon nitride (SiN) nanoparticles for c-Si solar cells

Science.gov (United States)

Ghosh, Hemanta; Mitra, Suchismita; Siddiqui, M. S.; Saxena, A. K.; Chaudhuri, Partha; Saha, Hiranmay; Banerjee, Chandan

2018-04-01

A novel material, structure and method of synthesis for dielectric light trapping have been presented in this paper. First, the light scattering behaviour of silicon nitride nanoparticles have been theoretically studied in order to find the optimized size for dielectric back scattering by FDTD simulations from Lumerical Inc. The optical results have been used in electrical analysis and thereby, estimate the effect of nanoparticles on efficiency of the solar cells depending on substrate thickness. Experimentally, silicon nitride (SiN) nanoparticles have been formed using hydrogen plasma treatment on SiN layer deposited by Plasma Enhanced Chemical Vapour Deposition (PECVD). The size and area coverage of the nanoparticles were controlled by varying the working pressure, power density and treatment duration. The nanoparticles were integrated with partial rear contact c-Si solar cells as dielectric back reflector structures for the light trapping in thin silicon solar cells. Experimental results revealed the increases of current density by 2.7% in presence of SiN nanoparticles.

Refinement of Mg2Si reinforcement in a commercial Al–20%Mg2Si in-situ composite with bismuth, antimony and strontium

International Nuclear Information System (INIS)

Nordin, Nur Azmah; Farahany, Saeed; Ourdjini, Ali; Abu Bakar, Tuty Asma; Hamzah, Esah

2013-01-01

Refinement by addition elements of Al–Mg 2 Si alloys is known to result in a change of primary Mg 2 Si morphology. In this paper, the effects of Bi, Sb and Sr on the characteristic parameters of Al–20%Mg 2 Si in-situ composite have been investigated by computer aided cooling curve thermal analysis and microstructural inspection. Size, density and aspect ratio measurements showed that additions of 0.4 wt.% Bi, 0.8 wt.% Sb and 0.01 wt.% Sr refined the Mg 2 Si reinforcement. Exceeding these concentrations, however, resulted in coarsening of Mg 2 Si particles with no change in the morphology. The results also showed that addition elements caused a decrease in the nucleation and growth temperatures of Mg 2 Si particles. The refining effect of Bi, Sb and Sr is likely to be related to the effect of oxide bifilms suspended in the composite melt as favored nucleation substrates for Mg 2 Si particles. - Highlight: • 0.4 wt.%, 0.8 wt.% and 0.01 wt.% is the optimum content for Bi, Sb and Sr addition. • Exceeding optimum concentration resulted in the coarsening of reinforcements. • Nucleation and growth temperatures decrease with addition of Bi, Sb and Sr. • The refining effect of Bi, Sb and Sr is likely to be related to the oxide bifilms

Low-temperature atomic layer deposition of MgO thin films on Si

International Nuclear Information System (INIS)

Vangelista, S; Mantovan, R; Lamperti, A; Tallarida, G; Kutrzeba-Kotowska, B; Spiga, S; Fanciulli, M

2013-01-01

Magnesium oxide (MgO) films have been grown by atomic layer deposition in the wide deposition temperature window of 80–350 °C by using bis(cyclopentadienyl)magnesium and H 2 O precursors. MgO thin films are deposited on both HF-last Si(1 0 0) and SiO 2 /Si substrates at a constant growth rate of ∼0.12 nm cycle −1 . The structural, morphological and chemical properties of the synthesized MgO thin films are investigated by x-ray reflectivity, grazing incidence x-ray diffraction, time-of-flight secondary ion mass spectrometry and atomic force microscopy measurements. MgO layers are characterized by sharp interface with the substrate and limited surface roughness, besides good chemical uniformity and polycrystalline structure for thickness above 7 nm. C–V measurements performed on Al/MgO/Si MOS capacitors, with MgO in the 4.6–11 nm thickness range, allow determining a dielectric constant (κ) ∼ 11. Co layers are grown by chemical vapour deposition in direct contact with MgO without vacuum-break (base pressure 10 −5 –10 −6  Pa). The as-grown Co/MgO stacks show sharp interfaces and no elements interdiffusion among layers. C–V and I–V measurements have been conducted on Co/MgO/Si MOS capacitors. The dielectric properties of MgO are not influenced by the further process of Co deposition. (paper)

Modification of Au and Si(111):H surfaces towards biological sensing

Energy Technology Data Exchange (ETDEWEB)

Zhang, Xin; Rappich, Joerg [Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Institut fuer Si Photovoltaik, Berlin (Germany); Sun, Guoguang; Hinrichs, Karsten; Rosu, Dana; Esser, Norbert [ISAS-Institute for Analytical Sciences, Department Berlin (Germany); Hovestaedt, Marc; Ay, Bernhard; Volkmer, Rudolf [Institut fuer Medizinische Immunologie, Charite Berlin, Berlin (Germany); Janietz, Silvia [Fraunhofer-Institut fuer Angewandte Polymerforschung, Golm (Germany)

2010-07-01

Within the topics to grow functional organic surfaces for biosensors we grafted carboxylbenzene, aminobenzene and maleimidobenzene onto Au and H-terminated Si surfaces by electrochemical deposition from 4-carboxylbenzene-diazonium tetrafluoroborate (4-CBDT), 4-aminobenzene-diazonium tetrafluoroborate (4-ABDT) and 4-maleimidobenzene-diazonium tetrafluoroborate (4-MBDT).The electron injection to the diazonium compound in solution (cathodic current) leads to the formation of intermediate radicals, which further react with the surface (Au or Si:H) and the respective molecule is grafted onto the surface.The aim was to functionalise these surfaces for further reaction with corresponding amines, acids or cysteine-modified peptides. Ex-situ infrared spectroscopic ellipsometry (IRSE) was applied to inspect the surface species before and after the functionalisation.

Hot Deformation Behavior of SiCP/A1-Cu Composite

Directory of Open Access Journals (Sweden)

CHENG Ming-yang

2017-02-01

Full Text Available Using the Gleeble-1500D simulator, the high temperature plastic deformation behavior of SiCp/Al-Cu composite were investigated at 350-500℃ with the strain rate of 0.01-10s-1. The true stress-strain curves were obtained in the tests. Constitutive equation and processing map were established. The results show that the softening mechanism of dynamic recrystallization is a feature of high-temperature flow stress-strain curves of SiCp/A1-Cu composite, and the peak stress increases with the decrease of deformation temperature or the increase of strain rate.The flow stress behavior of the composite during hot compression deformation can be represented by a Zener-Hollomon parameter in the hyperbolic sine form. Its activation energy for hot deformation Q is 320.79kJ/mol. The stable regions and the instability regions in the processing map were identified and the microstructures in different regions of processing map were studied.There are particle breakage and void in the instability regions.

Thermodynamic modeling of Al–U–X (X = Si,Zr)

Energy Technology Data Exchange (ETDEWEB)

Rabin, Daniel; Shneck, Roni Z. [Department of Materials Engineering, Ben-Gurion University of the Negev, P.O. Box 653, Beer-Sheva 84105 (Israel); Rafailov, Gennady [Department of Materials Engineering, Ben-Gurion University of the Negev, P.O. Box 653, Beer-Sheva 84105 (Israel); NRCN, P.O. Box 9001, Beer-Sheva 84190 (Israel); Dahan, Isaac [NRCN, P.O. Box 9001, Beer-Sheva 84190 (Israel); Meshi, Louisa [Department of Materials Engineering, Ben-Gurion University of the Negev, P.O. Box 653, Beer-Sheva 84105 (Israel); Brosh, Eli, E-mail: ebrosh1@gmail.com [NRCN, P.O. Box 9001, Beer-Sheva 84190 (Israel)

2015-09-15

Highlights: • Thermodynamic models of the U–Al–Si and U–Al–Zr systems were constructed. • The extrapolation methods of the ternary liquid phase were explored. • The order–disorder transition of the U(Al,Si){sub 3} phase was modeled. • New experiments fix the composition of U(Al,Si){sub 3} in equilibrium with Al and Si. • Effects of Si on microstructures of solidified U–Al alloys are clarified. - Abstract: Thermodynamic models are constructed for the U–Al–Si and U–A–Zr ternary alloy systems using the CALPHAD (CALculation of PHAse Diagrams) method. For the U–Al–Zr system the modeling covers only the aluminum-rich corner (from 100 at% to 67 at% Al) and is based only on literature data. For the U–Al–Si system, the whole range of compositions is covered and new key experiments were done in the uranium-poor region of the U–Al–Si system. These experiments have shown that under conditions of equilibrium with Al and Si, the Si-content of the U(Al,Si){sub 3} is significantly higher than reported by earlier works. Different extrapolation methods were tried for the Gibbs energy of the liquid phase. However, it was found that for the U–Al–Si and U–Al–Zr systems, symmetric Muggianu method and the asymmetric method by Hillert give similar predictions. The constructed thermodynamic database was investigated by calculating isothermal sections, vertical sections and the liquidus projection. The calculated diagrams are in reasonable agreement with experimental data. Finally, solidification simulation (Scheil simulation) was done in order to assess the phases obtained in solidification as a function of the silicon addition to U–Al alloys.

Controlled synthesis of lithium-rich layered Li1.2Mn0.56Ni0.12Co0.12O2 oxide with tunable morphology and structure as cathode material for lithium-ion batteries by solvo/hydrothermal methods

International Nuclear Information System (INIS)

Fu, Fang; Huang, Yiyin; Wu, Peng; Bu, Yakun; Wang, Yaobing; Yao, Jiannian

2015-01-01

Highlights: • Li 1.2 Mn 0.56 Ni 0.12 Co 0.12 O 2 with different shapes was successfully prepared. • The solvent plays a key role in the formation of the product with various shapes. • The sample prepared by solvothermal method exhibits higher discharge capacity. • Its reversible capacity is approximately 306.9 mA h g −1 at 0.2 C. - Abstract: A Li-rich layered cathode material Li 1.2 Mn 0.56 Ni 0.12 Co 0.12 O 2 (0.5Li 2 MnO 3 ⋅0.5Li 1.2 Mn 0.4 Ni 0.3 Co 0.3 O 2 ) with different morphologies has been successfully prepared by solvothermal and hydrothermal methods. The result demonstrates that the solvent plays a crucial role in the formation of the precursor and final product with various shapes and sizes. When tested as the cathode material for lithium ion batteries, the sample prepared by solvothermal method exhibits higher discharge capacity, better cycling performance, and more excellent rate capacity. It delivers a discharge capacity of 306.9 mA h g −1 at 0.2 C and 118.6 mA h g −1 even at a high rate of 5.0 C. The outstanding performance of the sample prepared by solvothermal method can be attributed to the well-ordered structure and well-defined morphology with smaller particle size and uniform distribution. The current study paves a new concept and applicable way to prepare high performance Li-rich layered cathode material for LIBs

Giant Hall Resistivity and Magnetoresistance in Cubic Chiral Antiferromagnet EuPtSi

Science.gov (United States)

Kakihana, Masashi; Aoki, Dai; Nakamura, Ai; Honda, Fuminori; Nakashima, Miho; Amako, Yasushi; Nakamura, Shota; Sakakibara, Toshiro; Hedo, Masato; Nakama, Takao; Ōnuki, Yoshichika

2018-02-01

EuPtSi crystallizes in the cubic chiral structure (P213, No. 198), which is the same as the non-centrosymmetric space group of MnSi with the skyrmion structure, and orders antiferromagnetically below a Néel temperature TN = 4.05 K. The magnetization at 2 K for the [111] direction indicates two metamagnetic transitions at the magnetic fields HA1 = 9.2 kOe and HA2 = 13.8 kOe and saturates above Hc = 26.6 kOe. The present magnetic phase between HA1 and HA2 is most likely closed in the (H,T) phase and is observed in a wide temperature range from 3.6 to 0.5 K. In this magnetic phase known as the A-phase, we found giant additional Hall resistivity ΔρH(H) and magnetoresistance Δρ(H), reaching ΔρH(H) = 0.12 µΩ·cm and Δρ(H) = 1.4 µΩ·cm, respectively. These findings are obtained for H || [111] and [100], but not for H || [110] and [112], revealing an anisotropic behavior in the new material EuPtSi.

Effective gene silencing activity of prodrug-type 2'-O-methyldithiomethyl siRNA compared with non-prodrug-type 2'-O-methyl siRNA.

Science.gov (United States)

Hayashi, Junsuke; Nishigaki, Misa; Ochi, Yosuke; Wada, Shun-Ichi; Wada, Fumito; Nakagawa, Osamu; Obika, Satoshi; Harada-Shiba, Mariko; Urata, Hidehito

2018-07-01

Small interfering RNAs (siRNAs) are an active agent to induce gene silencing and they have been studied for becoming a biological and therapeutic tool. Various 2'-O-modified RNAs have been extensively studied to improve the nuclease resistance. However, the 2'-O-modified siRNA activities were often decreased by modification, since the bulky 2'-O-modifications inhibit to form a RNA-induced silencing complex (RISC). We developed novel prodrug-type 2'-O-methyldithiomethyl (MDTM) siRNA, which is converted into natural siRNA in an intracellular reducing environment. Prodrug-type 2'-O-MDTM siRNAs modified at the 5'-end side including 5'-end nucleotide and the seed region of the antisense strand exhibited much stronger gene silencing effect than non-prodrug-type 2'-O-methyl (2'-O-Me) siRNAs. Furthermore, the resistances for nuclease digestion of siRNAs were actually enhanced by 2'-O-MDTM modifications. Our results indicate that 2'-O-MDTM modifications improve the stability of siRNA in serum and they are able to be introduced at any positions of siRNA. Copyright © 2018 Elsevier Ltd. All rights reserved.

Loss Model and Efficiency Analysis of Tram Auxiliary Converter Based on a SiC Device

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Hao Liu

2017-12-01

Full Text Available Currently, the auxiliary converter in the auxiliary power supply system of a modern tram adopts Si IGBT as its switching device and with the 1700 V/225 A SiC MOSFET module commercially available from Cree, an auxiliary converter using all SiC devices is now possible. A SiC auxiliary converter prototype is developed during this study. The author(s derive the loss calculation formula of the SiC auxiliary converter according to the system topology and principle and each part loss in this system can be calculated based on the device datasheet. Then, the static and dynamic characteristics of the SiC MOSFET module used in the system are tested, which aids in fully understanding the performance of the SiC devices and provides data support for the establishment of the PLECS loss simulation model. Additionally, according to the actual circuit parameters, the PLECS loss simulation model is set up. This simulation model can simulate the actual operating conditions of the auxiliary converter system and calculate the loss of each switching device. Finally, the loss of the SiC auxiliary converter prototype is measured and through comparison it is found that the loss calculation theory and PLECS loss simulation model is valuable. Furthermore, the thermal images of the system can prove the conclusion about loss distribution to some extent. Moreover, these two methods have the advantages of less variables and fast calculation for high power applications. The loss models may aid in optimizing the switching frequency and improving the efficiency of the system.

A high performance Ge/Si0.5Ge0.5/Si heterojunction dual sources tunneling transistor with a U-shaped channel

Science.gov (United States)

Li, Wei; Liu, Hongxia; Wang, Shulong; Wang, Qianqiong; Chen, Shupeng

2017-06-01

In this paper, a new Ge/Si0.5Ge0.5/Si heterojunction dual sources tunneling transistor with a U-shaped channel (Ge_DUTFET) is proposed and investigated by Silvaco-Atlas simulation. The line tunneling perpendicular to channel and point tunneling parallel to channel simultaneously occur on both sides of the gate. The Ge is chosen as the source region material to increase the line tunneling current. The designed heterojunction between the Ge source and Si channel decreases the point tunneling barrier width to enhance the point tunneling current. And this heterojunction can also promote the Ge_DUTFET to occur point tunneling at the small gate voltage, which makes it obtain the smaller turn-on voltage. Furthermore, the Si0.5Ge0.5 buffer layer is also helpful for the enhancement of performance. The simulation results reveal that Ge_DUTFET has the better performance compared with the Si_DUTFET. The on-state current and average subthreshold swing of Ge_DUTFET are 1.11 × 10-5A/μm and 35.1mV/dec respectively. The max cut-off frequency (fT) and gain bandwidth product (GBW) are 26.6 GHz and 16.6 GHz respectively. The fT and GBW of the Ge_DUTFET are respectively increased by ∼27.4% and ∼84.3% compared with the Si_DUTFET.