Three-dimensional to two-dimensional transition in mode-I fracture microbranching in a perturbed hexagonal close-packed lattice

NASA Astrophysics Data System (ADS)

Heizler, Shay I.; Kessler, David A.

2017-06-01

Mode-I fracture exhibits microbranching in the high velocity regime where the simple straight crack is unstable. For velocities below the instability, classic modeling using linear elasticity is valid. However, showing the existence of the instability and calculating the dynamics postinstability within the linear elastic framework is difficult and controversial. The experimental results give several indications that the microbranching phenomenon is basically a three-dimensional (3D) phenomenon. Nevertheless, the theoretical effort has been focused mostly on two-dimensional (2D) modeling. In this paper we study the microbranching instability using three-dimensional atomistic simulations, exploring the difference between the 2D and the 3D models. We find that the basic 3D fracture pattern shares similar behavior with the 2D case. Nevertheless, we exhibit a clear 3D-2D transition as the crack velocity increases, whereas as long as the microbranches are sufficiently small, the behavior is pure 3D behavior, whereas at large driving, as the size of the microbranches increases, more 2D-like behavior is exhibited. In addition, in 3D simulations, the quantitative features of the microbranches, separating the regimes of steady-state cracks (mirror) and postinstability (mist-hackle) are reproduced clearly, consistent with the experimental findings.

Strong 3D and 1D magnetism in hexagonal Fe-chalcogenides FeS and FeSe vs. weak magnetism in hexagonal FeTe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parker, David S.

2017-06-13

We present a comparative theoretical study of the hexagonal forms of the Fe-chalcogenides FeS, FeSe and FeTe with their better known tetragonal forms. While the tetragonal forms exhibit only an incipient antiferromagnetism and experimentally show superconductivity when doped, the hexagonal forms of FeS and FeSe display a robust magnetism. We show that this strong magnetism arises from a van Hove singularity associated with the direct Fe-Fe c-axis chains in the generally more three-dimensional NiAs structure. We also find that hexagonal FeTe is much less magnetic than the other two hexagonal materials, so that unconventional magnetically-mediated superconductivity is possible, although amore » large T c value is unlikely.« less

Dispersions of TiS2 nanosheets in organic medium

NASA Astrophysics Data System (ADS)

Manjunatha, S.; Kumar, A. Sunil; Machappa, T.

2018-05-01

Here in this article, we report Li-intercalated titanium disulfide (TiS2) two-dimensional (2D) nanosheets, exfoliated in 1-methyl-2-pyrrolidinone (NMP) forming a quite stable dispersions of pale brownish color. As synthesized TiS2 nanosheets were characterized by transmission electron microscopy (TEM). Selected area electron diffraction (SAED) pattern confirmed the hexagonal lattice structure of the exfoliated nanosheets.

A new series of two-dimensional silicon crystals with versatile electronic properties

NASA Astrophysics Data System (ADS)

Chae, Kisung; Kim, Duck Young; Son, Young-Woo

2018-04-01

Silicon (Si) is one of the most extensively studied materials owing to its significance to semiconductor science and technology. While efforts to find a new three-dimensional (3D) Si crystal with unusual properties have made some progress, its two-dimensional (2D) phases have not yet been explored as much. Here, based on a newly developed systematic ab initio materials searching strategy, we report a series of novel 2D Si crystals with unprecedented structural and electronic properties. The new structures exhibit perfectly planar outermost surface layers of a distorted hexagonal network with their thicknesses varying with the atomic arrangement inside. Dramatic changes in electronic properties ranging from semimetal to semiconducting with indirect energy gaps and even to one with direct energy gaps are realized by varying thickness as well as by surface oxidation. Our predicted 2D Si crystals with flat surfaces and tunable electronic properties will shed light on the development of silicon-based 2D electronics technology.

Three-dimensional mesoscale heterostructures of ZnO nanowire arrays epitaxially grown on CuGaO2 nanoplates as individual diodes.

PubMed

Forticaux, Audrey; Hacialioglu, Salih; DeGrave, John P; Dziedzic, Rafal; Jin, Song

2013-09-24

We report a three-dimensional (3D) mesoscale heterostructure composed of one-dimensional (1D) nanowire (NW) arrays epitaxially grown on two-dimensional (2D) nanoplates. Specifically, three facile syntheses are developed to assemble vertical ZnO NWs on CuGaO2 (CGO) nanoplates in mild aqueous solution conditions. The key to the successful 3D mesoscale integration is the preferential nucleation and heteroepitaxial growth of ZnO NWs on the CGO nanoplates. Using transmission electron microscopy, heteroepitaxy was found between the basal planes of CGO nanoplates and ZnO NWs, which are their respective (001) crystallographic planes, by the observation of a hexagonal Moiré fringes pattern resulting from the slight mismatch between the c planes of ZnO and CGO. Careful analysis shows that this pattern can be described by a hexagonal supercell with a lattice parameter of almost exactly 11 and 12 times the a lattice constants for ZnO and CGO, respectively. The electrical properties of the individual CGO-ZnO mesoscale heterostructures were measured using a current-sensing atomic force microscopy setup to confirm the rectifying p-n diode behavior expected from the band alignment of p-type CGO and n-type ZnO wide band gap semiconductors. These 3D mesoscale heterostructures represent a new motif in nanoassembly for the integration of nanomaterials into functional devices with potential applications in electronics, photonics, and energy.

Scalable salt-templated synthesis of two-dimensional transition metal oxides

PubMed Central

Xiao, Xu; Song, Huaibing; Lin, Shizhe; Zhou, Ying; Zhan, Xiaojun; Hu, Zhimi; Zhang, Qi; Sun, Jiyu; Yang, Bo; Li, Tianqi; Jiao, Liying; Zhou, Jun; Tang, Jiang; Gogotsi, Yury

2016-01-01

Two-dimensional atomic crystals, such as two-dimensional oxides, have attracted much attention in energy storage because nearly all of the atoms can be exposed to the electrolyte and involved in redox reactions. However, current strategies are largely limited to intrinsically layered compounds. Here we report a general strategy that uses the surfaces of water-soluble salt crystals as growth templates and is applicable to not only layered compounds but also various transition metal oxides, such as hexagonal-MoO3, MoO2, MnO and hexagonal-WO3. The planar growth is hypothesized to occur via a match between the crystal lattices of the salt and the growing oxide. Restacked two-dimensional hexagonal-MoO3 exhibits high pseudocapacitive performances (for example, 300 F cm−3 in an Al2(SO4)3 electrolyte). The synthesis of various two-dimensional transition metal oxides and the demonstration of high capacitance are expected to enable fundamental studies of dimensionality effects on their properties and facilitate their use in energy storage and other applications. PMID:27103200

Ion-Specific Interfacial Crystallization of Polymer-Grafted Nanoparticles

DOE PAGES

Zhang, Honghu; Wang, Wenjie; Mallapragada, Surya; ...

2017-06-27

In this study, ion-specific effects on the assembly and crystallization of polyethylene-glycol-grafted Au nanoparticles (PEG-AuNPs) at the vapor–liquid interface are examined by surface sensitive synchrotron X-ray scattering methods. We show that monovalent salts, such as KCl and NaCl, that do not advance phase separation of pure PEG at room temperature induce two-dimensional (2D) self-assembly and crystallization of PEG-AuNPs with some distinctions. Whereas for KCl the 2D hexagonal coherence length of the PEG-AuNP superlattices is remarkably large compared to other salts (over micron-sized crystalline grains), NaCl induces coexistence of two hexagonal structures. Using various salts, we find that the value ofmore » the lattice constant is correlated to the ionic hydration entropy consistent with the Hofmeister series.« less

Characterization of two-dimensional hexagonal boron nitride using scanning electron and scanning helium ion microscopy

NASA Astrophysics Data System (ADS)

Guo, Hongxuan; Gao, Jianhua; Ishida, Nobuyuki; Xu, Mingsheng; Fujita, Daisuke

2014-01-01

Characterization of the structural and physical properties of two-dimensional (2D) materials, such as layer number and inelastic mean free path measurements, is very important to optimize their synthesis and application. In this study, we characterize the layer number and morphology of hexagonal boron nitride (h-BN) nanosheets on a metallic substrate using field emission scanning electron microscopy (FE-SEM) and scanning helium ion microscopy (HIM). Using scanning beams of various energies, we could analyze the dependence of the intensities of secondary electrons on the thickness of the h-BN nanosheets. Based on the interaction between the scanning particles (electrons and helium ions) and h-BN nanosheets, we deduced an exponential relationship between the intensities of secondary electrons and number of layers of h-BN. With the attenuation factor of the exponential formula, we calculate the inelastic mean free path of electrons and helium ions in the h-BN nanosheets. Our results show that HIM is more sensitive and consistent than FE-SEM for characterizing the number of layers and morphology of 2D materials.

Raman study of annealed two-dimensional heterostructure of graphene on hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Souibgui, Mourad; Ajlani, Hosni; Cavanna, Antonnella; Oueslati, Meherzi; Meftah, Abdelaziz; Madouri, Ali

2017-12-01

In this paper, we investigate stacked 2D graphene layers on hexagonal boron nitride (h-BN). The graphene is obtained by high-quality chemical vapor deposition (CVD) and transferred to the h-BN substrate. We focus our attention on annealing effect at 1040 °C on single graphene layer (SGL) and bilayer graphene (BLG) on h-BN substrate using Raman spectroscopy. Our results show, before annealing, a twist angle θ = 0.63 ° between the SGL and the h-BN substrate and a twist angle 3 ° <θG1G2 < 8 ° between the two graphene layers of the BLG. After annealing, the analysis of the graphene G and 2D bands show a rotational reorientation of the graphene layer with respect to the h-BN substrate. Raman mapping also shows that the rotational reorientation is spatially dependent.

Stable Graphene-Two-Dimensional Multiphase Perovskite Heterostructure Phototransistors with High Gain.

PubMed

Shao, Yuchuan; Liu, Ye; Chen, Xiaolong; Chen, Chen; Sarpkaya, Ibrahim; Chen, Zhaolai; Fang, Yanjun; Kong, Jaemin; Watanabe, Kenji; Taniguchi, Takashi; Taylor, André; Huang, Jinsong; Xia, Fengnian

2017-12-13

Recently, two-dimensional (2D) organic-inorganic perovskites emerged as an alternative material for their three-dimensional (3D) counterparts in photovoltaic applications with improved moisture resistance. Here, we report a stable, high-gain phototransistor consisting of a monolayer graphene on hexagonal boron nitride (hBN) covered by a 2D multiphase perovskite heterostructure, which was realized using a newly developed two-step ligand exchange method. In this phototransistor, the multiple phases with varying bandgap in 2D perovskite thin films are aligned for the efficient electron-hole pair separation, leading to a high responsivity of ∼10 5 A W -1 at 532 nm. Moreover, the designed phase alignment method aggregates more hydrophobic butylammonium cations close to the upper surface of the 2D perovskite thin film, preventing the permeation of moisture and enhancing the device stability dramatically. In addition, faster photoresponse and smaller 1/f noise observed in the 2D perovskite phototransistors indicate a smaller density of deep hole traps in the 2D perovskite thin film compared with their 3D counterparts. These desirable properties not only improve the performance of the phototransistor, but also provide a new direction for the future enhancement of the efficiency of 2D perovskite photovoltaics.

Programming Self-Assembly of DNA Origami Honeycomb Two-Dimensional Lattices and Plasmonic Metamaterials.

PubMed

Wang, Pengfei; Gaitanaros, Stavros; Lee, Seungwoo; Bathe, Mark; Shih, William M; Ke, Yonggang

2016-06-22

Scaffolded DNA origami has proven to be a versatile method for generating functional nanostructures with prescribed sub-100 nm shapes. Programming DNA-origami tiles to form large-scale 2D lattices that span hundreds of nanometers to the micrometer scale could provide an enabling platform for diverse applications ranging from metamaterials to surface-based biophysical assays. Toward this end, here we design a family of hexagonal DNA-origami tiles using computer-aided design and demonstrate successful self-assembly of micrometer-scale 2D honeycomb lattices and tubes by controlling their geometric and mechanical properties including their interconnecting strands. Our results offer insight into programmed self-assembly of low-defect supra-molecular DNA-origami 2D lattices and tubes. In addition, we demonstrate that these DNA-origami hexagon tiles and honeycomb lattices are versatile platforms for assembling optical metamaterials via programmable spatial arrangement of gold nanoparticles (AuNPs) into cluster and superlattice geometries.

Halogen-Adatom Mediated Phase Transition of Two-Dimensional Molecular Self-Assembly on a Metal Surface.

PubMed

Niu, Tianchao; Wu, Jinge; Ling, Faling; Jin, Shuo; Lu, Guanghong; Zhou, Miao

2018-01-09

Construction of tunable and robust two-dimensional (2D) molecular arrays with desirable lattices and functionalities over a macroscopic scale relies on spontaneous and reversible noncovalent interactions between suitable molecules as building blocks. Halogen bonding, with active tunability of direction, strength, and length, is ideal for tailoring supramolecular structures. Herein, by combining low-temperature scanning tunneling microscopy and systematic first-principles calculations, we demonstrate novel halogen bonding involving single halogen atoms and phase engineering in 2D molecular self-assembly. On the Au(111) surface, we observed catalyzed dehalogenation of hexabromobenzene (HBB) molecules, during which negatively charged bromine adatoms (Br δ- ) were generated and participated in assembly via unique C-Br δ+ ···Br δ- interaction, drastically different from HBB assembly on a chemically inert graphene substrate. We successfully mapped out different phases of the assembled superstructure, including densely packed hexagonal, tetragonal, dimer chain, and expanded hexagonal lattices at room temperature, 60 °C, 90 °C, and 110 °C, respectively, and the critical role of Br δ- in regulating lattice characteristics was highlighted. Our results show promise for manipulating the interplay between noncovalent interactions and catalytic reactions for future development of molecular nanoelectronics and 2D crystal engineering.

Fermionic Symmetry-Protected Topological Phase in a Two-Dimensional Hubbard Model

DOE PAGES

Chen, Cheng-Chien; Muechler, Lukas; Car, Roberto; ...

2016-08-25

We study the two-dimensional (2D) Hubbard model using exact diagonalization for spin-1/2 fermions on the triangular and honeycomb lattices decorated with a single hexagon per site. In certain parameter ranges, the Hubbard model maps to a quantum compass model on those lattices. On the triangular lattice, the compass model exhibits collinear stripe antiferromagnetism, implying d-density wave charge order in the original Hubbard model. On the honeycomb lattice, the compass model has a unique, quantum disordered ground state that transforms nontrivially under lattice reflection. The ground state of the Hubbard model on the decorated honeycomb lattice is thus a 2D fermionicmore » symmetry-protected topological phase. This state—protected by time-reversal and reflection symmetries—cannot be connected adiabatically to a free-fermion topological phase.« less

Chemical Interaction-Guided, Metal-Free Growth of Large-Area Hexagonal Boron Nitride on Silicon-Based Substrates.

PubMed

Behura, Sanjay; Nguyen, Phong; Debbarma, Rousan; Che, Songwei; Seacrist, Michael R; Berry, Vikas

2017-05-23

Hexagonal boron nitride (h-BN) is an ideal platform for interfacing with two-dimensional (2D) nanomaterials to reduce carrier scattering for high-quality 2D electronics. However, scalable, transfer-free growth of hexagonal boron nitride (h-BN) remains a challenge. Currently, h-BN-based 2D heterostructures require exfoliation or chemical transfer of h-BN grown on metals resulting in small areas or significant interfacial impurities. Here, we demonstrate a surface-chemistry-influenced transfer-free growth of large-area, uniform, and smooth h-BN directly on silicon (Si)-based substrates, including Si, silicon nitride (Si 3 N 4 ), and silicon dioxide (SiO 2 ), via low-pressure chemical vapor deposition. The growth rates increase with substrate electronegativity, Si < Si 3 N 4 < SiO 2 , consistent with the adsorption rates calculated for the precursor molecules via atomistic molecular dynamics simulations. Under graphene with high grain density, this h-BN film acts as a polymer-free, planar-dielectric interface increasing carrier mobility by 3.5-fold attributed to reduced surface roughness and charged impurities. This single-step, chemical interaction guided, metal-free growth mechanism of h-BN for graphene heterostructures establishes a potential pathway for the design of complex and integrated 2D-heterostructured circuitry.

Structural stability and electronic properties of an octagonal allotrope of two dimensional boron nitride.

PubMed

Takahashi, Lauren; Takahashi, Keisuke

2017-03-27

An octagonal allotrope of two dimensional boron nitride is explored through first principles calculations. Calculations show that two dimensional octagonal boron nitride can be formed with a binding energy comparable to two dimensional hexagonal boron nitride. In addition, two dimensional octagonal boron nitride is found to have a band gap smaller than two dimensional hexagonal boron nitride, suggesting the possibility of semiconductive attributes. Two dimensional octagonal boron nitride also has the ability to layer through physisorption. Defects present within two dimensional octagonal boron nitride also lead toward the introduction of a magnetic moment through the absence of boron atoms. The presence of defects is also found to render both hexagonal and octagonal boron nitrides reactive against hydrogen, where greater reactivity is seen in the presence of nitrogen. Thus, two dimensional octagonal boron nitride is confirmed with potential to tailor properties and reactivity through lattice shape and purposeful introduction of defects.

Spatially Resolved One-Dimensional Boundary States in Graphene-Hexagonal Boron Nitride Planar Heterostructures

DOE PAGES

Li, An-Ping; Park, Jewook; Lee, Jaekwang; ...

2014-01-01

Two-dimensional (2D) interfaces between crystalline materials have been shown to generate unusual interfacial electronic states in complex oxides1-4. Recently, a onedimensional (1D) polar-on-nonpolar interface has been realized in hexagonal boron nitride (hBN) and graphene heterostructures 5-10, where a coherent 1D boundary is expected to possess peculiar electronic states dictated by edge states of graphene and the polarity of hBN 11-13. Here we present a combined scanning tunneling microscopy (STM) and firstprinciples theory study of the graphene-hBN boundary to provide a rare glimpse into the spatial and energetic distributions of the 1D boundary states in real-space. The interfaces studied here aremore » crystallographically coherent with sharp transitions from graphene zigzag edges to B (or N) terminated hBN atomic layers on a Cu foil substrate5. The revealed boundary states are about 0.6 eV below or above the Fermi energy depending on the termination of the hBN at the boundary, and are extended along but localized at the boundary with a lateral thickness of 2-3nm. These results suggest that unconventional physical effects similar to those observed at 2D interfaces can also exist in lower dimensions, opening a route for tuning of electronic properties at interfaces in 2D heterostructures.« less

Two novel zinc(II) coordination polymers constructed from in situ amidation ligands

NASA Astrophysics Data System (ADS)

Yu, Xiao-Yang; Fu, Yao; Fu, Jian-Tao; Xu, Jia-Ning; Luo, Ya-Nan; Yang, Yan-Yan; Qu, Xiao-Shu; Zhang, Jing; Lu, Shu-Lai

2018-04-01

Two novel coordination compounds, [Zn(Hbimh) (H2O)]·H2O (1) and [Zn(Hbimh)]·(4,4ʹ-bpy)0.5 (2) (H3bimh = benzimidazole-5,6-hydrazide, 4,4ʹ-bpy = 4,4ʹ-bipyridine), have been prepared from the hydrothermal in situ amidation cyclization reactions of H3bimdc (H3bimdc = benzimidazole-5,6-dicarboxylic acid) and hydrazine hydrate (N2H4·H2O). Compound 1 exhibits a one-dimensional (1D) hexagon channel structure. Compound 2 is a three-dimensional (3D) framework structure, with 4,4ʹ-bpy fill the channels. We also obtained the ligand H3bimh. The compounds were characterized by IR, PXRD, TGA and elemental analysis. The fluorescence properties in the solid state at room temperature were also investigated.

Atomic-scale etching of hexagonal boron nitride for device integration based on two-dimensional materials.

PubMed

Park, Hamin; Shin, Gwang Hyuk; Lee, Khang June; Choi, Sung-Yool

2018-05-29

Hexagonal boron nitride (h-BN) is considered an ideal template for electronics based on two-dimensional (2D) materials, owing to its unique properties as a dielectric film. Most studies involving h-BN and its application to electronics have focused on its synthesis using techniques such as chemical vapor deposition, the electrical analysis of its surface state, and the evaluation of its performance. Meanwhile, processing techniques including etching methods have not been widely studied despite their necessity for device fabrication processes. In this study, we propose the atomic-scale etching of h-BN for integration into devices based on 2D materials, using Ar plasma at room temperature. A controllable etching rate, less than 1 nm min-1, was achieved and the low reactivity of the Ar plasma enabled the atomic-scale etching of h-BN down to a monolayer in this top-down approach. Based on the h-BN etching technique for achieving electrical contact with the underlying molybdenum disulfide (MoS2) layer of an h-BN/MoS2 heterostructure, a top-gate MoS2 field-effect transistor (FET) with h-BN gate dielectric was fabricated and characterized by high electrical performance based on the on/off current ratio and carrier mobility.

Carbon phosphide monolayers with superior carrier mobility

NASA Astrophysics Data System (ADS)

Wang, Gaoxue; Pandey, Ravindra; Karna, Shashi P.

2016-04-01

Two dimensional (2D) materials with a finite band gap and high carrier mobility are sought after materials from both fundamental and technological perspectives. In this paper, we present the results based on the particle swarm optimization method and density functional theory which predict three geometrically different phases of the carbon phosphide (CP) monolayer consisting of sp2 hybridized C atoms and sp3 hybridized P atoms in hexagonal networks. Two of the phases, referred to as α-CP and β-CP with puckered or buckled surfaces are semiconducting with highly anisotropic electronic and mechanical properties. More remarkably, they have the lightest electrons and holes among the known 2D semiconductors, yielding superior carrier mobility. The γ-CP has a distorted hexagonal network and exhibits a semi-metallic behavior with Dirac cones. These theoretical findings suggest that the binary CP monolayer is a yet unexplored 2D material holding great promise for applications in high-performance electronics and optoelectronics.Two dimensional (2D) materials with a finite band gap and high carrier mobility are sought after materials from both fundamental and technological perspectives. In this paper, we present the results based on the particle swarm optimization method and density functional theory which predict three geometrically different phases of the carbon phosphide (CP) monolayer consisting of sp2 hybridized C atoms and sp3 hybridized P atoms in hexagonal networks. Two of the phases, referred to as α-CP and β-CP with puckered or buckled surfaces are semiconducting with highly anisotropic electronic and mechanical properties. More remarkably, they have the lightest electrons and holes among the known 2D semiconductors, yielding superior carrier mobility. The γ-CP has a distorted hexagonal network and exhibits a semi-metallic behavior with Dirac cones. These theoretical findings suggest that the binary CP monolayer is a yet unexplored 2D material holding great promise for applications in high-performance electronics and optoelectronics. Electronic supplementary information (ESI) available: Fig. S1 cohesive energy and structure of the CP monolayer with various stoichiometric compositions obtained using CALYPSO, Fig. S2 history of CALYPSO steps and structure of the CP monolayer, Fig. S3 phonon dispersion with DFT-D2 functional, Fig. S4 band structure for β-CP using the DFT-PBE and DFT-D2 functional forms, Fig. S5 strain energy curves, Fig. S6 projected band structure for α-CP, Fig. S7 projected band structure for β-CP, Fig. S8 projected band structure for γ-CP, Fig. S9 band structures obtained with the GGA-PBE and HSE06 functional; Table S1 lattice parameters with the DFT-D2 functional form; Video S1 AIMD simulation of α-CP at 300 K, Video S2 AIMD simulation of β-CP at 300 K, Video S3 AIMD simulation of γ-CP at 300 K. See DOI: 10.1039/c6nr00498a

Room temperature rubbing for few-layer two-dimensional thin flakes directly on flexible polymer substrates

PubMed Central

Yu, Yan; Jiang, Shenglin; Zhou, Wenli; Miao, Xiangshui; Zeng, Yike; Zhang, Guangzu; Liu, Sisi

2013-01-01

The functional layers of few-layer two-dimensional (2-D) thin flakes on flexible polymers for stretchable applications have attracted much interest. However, most fabrication methods are “indirect” processes that require transfer steps. Moreover, previously reported “transfer-free” methods are only suitable for graphene and not for other few-layer 2-D thin flakes. Here, a friction based room temperature rubbing method is proposed for fabricating different types of few-layer 2-D thin flakes (graphene, hexagonal boron nitride (h-BN), molybdenum disulphide (MoS2), and tungsten disulphide (WS2)) on flexible polymer substrates. Commercial 2-D raw materials (graphite, h-BN, MoS2, and WS2) that contain thousands of atom layers were used. After several minutes, different types of few-layer 2-D thin flakes were fabricated directly on the flexible polymer substrates by rubbing procedures at room temperature and without any transfer step. These few-layer 2-D thin flakes strongly adhere to the flexible polymer substrates. This strong adhesion is beneficial for future applications. PMID:24045289

First-principles engineering of charged defects for two-dimensional quantum technologies

NASA Astrophysics Data System (ADS)

Wu, Feng; Galatas, Andrew; Sundararaman, Ravishankar; Rocca, Dario; Ping, Yuan

2017-12-01

Charged defects in two-dimensional (2D) materials have emerging applications in quantum technologies such as quantum emitters and quantum computation. The advancement of these technologies requires a rational design of ideal defect centers, demanding reliable computation methods for the quantitatively accurate prediction of defect properties. We present an accurate, parameter-free, and efficient procedure to evaluate the quasiparticle defect states and thermodynamic charge transition levels of defects in 2D materials. Importantly, we solve critical issues that stem from the strongly anisotropic screening in 2D materials, that have so far precluded the accurate prediction of charge transition levels in these materials. Using this procedure, we investigate various defects in monolayer hexagonal boron nitride (h -BN ) for their charge transition levels, stable spin states, and optical excitations. We identify CBVN (nitrogen vacancy adjacent to carbon substitution of boron) to be the most promising defect candidate for scalable quantum bit and emitter applications.

Hexagonal OsB 2 reduction upon heating in H 2 containing environment

DOE PAGES

Xie, Zhilin; Blair, Richard G.; Orlovskaya, Nina; ...

2014-10-23

The stability of hexagonal ReB 2 type OsB 2 powder upon heating under reforming gas was investigated. Pure Os metal particles were detected by powder X-ray diffraction starting at 375⁰ C and complete transformation of OsB 2 to metallic Os was observed at 725⁰ C. The mechanisms of precipitation of metallic Os is proposed and changes in the lattice parameters of OsB 2 upon heating are analysed in terms of the presence of oxygen or water vapour in the heating chamber. Previous studies suggested that Os atoms possess (0) valence, while B atoms possess both (+3) and ( 3) valencesmore » in the alternating boron/osmium sheet structure of hexagonal (P63/mmc, No. 194) OsB 2; if controllable method for Os removal from the lattice could be found, the opportunity would arise to form two-dimensional (2D) layers consisting of pure B atoms.« less

High-mobility hydrogen-terminated Si(111) transistors for measurement of six-fold valley degenerate two-dimensional electron systems in fractional quantum Hall regime

NASA Astrophysics Data System (ADS)

Hu, Binhui; Yazdanpanah, Mohamad Meqdad; Kane, Bruce E.

2015-03-01

The quality of hydrogen-terminated Si(111) (H-Si(111)) transistors has improved significantly. Peak electron mobility of 325,000 cm2/Vs was achieved at 90 mK, and the fractional quantum Hall effect (FQHE) at 1 < ν < 2 was studied extensively. We have further improved the device by solving gate leakage and contact problems with an updated design, in which a Si piece with thermal oxide acts as a gate through a vacuum cavity, and PN junctions are used to define a hexagonal two-dimensional (2D) region on a H-Si(111) piece. The device operates as an ambipolar transistor, in which a 2D electron system (2DES) and a 2D hole system can be induced at the same H-Si(111) surface. Peak electron mobility of more than 200,000 cm2/Vs is routinely achieved at 300 mK. The Si(111) surface has a six-fold valley degeneracy. The hexagonal device is designed to investigate the symmetry of the 2DES. Preliminary data show that the transport anisotropy at ν < 6 can be explained by the valley occupancy. The details of the valley occupancy can be caused by several mechanisms, such as miscut, magnetic field, pseudospin quantum Hall ferromagnetism (QHFM), and nematic valley polarization phases. The FQHE is investigated in magnetic fields up to 35T, and the properties of composite fermions will be discussed.

Stability of skyrmion lattices and symmetries of quasi-two-dimensional chiral magnets

DOE PAGES

Gungordu, Utkan; Nepal, Rabindra; Tretiakov, Oleg A.; ...

2016-02-24

Recently there has been substantial interest in realizations of skyrmions, in particular in quasi-two-dimensional (2D) systems due to increased stability resulting from reduced dimensionality. A stable skyrmion, representing the smallest realizable magnetic texture, could be an ideal element for ultradense magnetic memories. Here we use the most general form of the quasi-2D free energy with Dzyaloshinskii-Moriya interactions constructed from general symmetry considerations reflecting the underlying system. We predict that the skyrmion phase is robust and it is present even when the system lacks the in-plane rotational symmetry. In fact, the lowered symmetry leads to increased stability of vortex-antivortex lattices withmore » fourfold symmetry and in-plane spirals, in some instances even in the absence of an external magnetic field. Our results relate different hexagonal and square cell phases to the symmetries of materials used for realizations of skyrmions. This will give clear directions for experimental realizations of hexagonal and square cell phases, and will allow engineering of skyrmions with unusual properties. We also predict striking differences in gyrodynamics induced by spin currents for isolated skyrmions and for crystals where spin currents can be induced by charge carriers or by thermal magnons. As a result, we find that under certain conditions, isolated skyrmions can move along the current without a side motion which can have implications for realizations of magnetic memories.« less

Localized emission from laser-irradiated defects in 2D hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Hou, Songyan; Danang Birowosuto, Muhammad; Umar, Saleem; Ange Anicet, Maurice; Yingjie Tay, Roland; Coquet, Philippe; Tay, Beng Kang; Wang, Hong; Teo, Edwin Hang Tong

2018-01-01

Hexagonal boron nitride (hBN) has emerged as a promising two-dimensional (2D) material for photonics device due to its large bandgap and flexibility in nanophotonic circuits. Here, we report bright and localized luminescent centres can be engineered in hBN monolayers and flakes using laser irradiation. The transition from hBN to cBN emerges in laser irradiated hBN large monolayers while is absent in processed hBN flakes. Remarkably, the colour centres in hBN flakes exhibit room temperature cleaner single photon emissions with g 2(0) ranging from 0.20 to 0.42, a narrower line width of 1.4 nm and higher brightness compared with monolayers. Our results pave the way to engineering deterministic defects in hBN induced by laser pulse and show great prospect for application of defects in hBN used as nano-size light source in photonics.

Two-Dimensional CH₃NH₃PbI₃ Perovskite: Synthesis and Optoelectronic Application.

PubMed

Liu, Jingying; Xue, Yunzhou; Wang, Ziyu; Xu, Zai-Quan; Zheng, Changxi; Weber, Bent; Song, Jingchao; Wang, Yusheng; Lu, Yuerui; Zhang, Yupeng; Bao, Qiaoliang

2016-03-22

Hybrid organic-inorganic perovskite materials have received substantial research attention due to their impressively high performance in photovoltaic devices. As one of the oldest functional materials, it is intriguing to explore the optoelectronic properties in perovskite after reducing it into a few atomic layers in which two-dimensional (2D) confinement may get involved. In this work, we report a combined solution process and vapor-phase conversion method to synthesize 2D hybrid organic-inorganic perovskite (i.e., CH3NH3PbI3) nanocrystals as thin as a single unit cell (∼1.3 nm). High-quality 2D perovskite crystals have triangle and hexagonal shapes, exhibiting tunable photoluminescence while the thickness or composition is changed. Due to the high quantum efficiency and excellent photoelectric properties in 2D perovskites, a high-performance photodetector was demonstrated, in which the current can be enhanced significantly by shining 405 and 532 nm lasers, showing photoresponsivities of 22 and 12 AW(-1) with a voltage bias of 1 V, respectively. The excellent optoelectronic properties make 2D perovskites building blocks to construct 2D heterostructures for wider optoelectronic applications.

Enhanced Tunnel Spin Injection into Graphene using Chemical Vapor Deposited Hexagonal Boron Nitride

PubMed Central

Kamalakar, M. Venkata; Dankert, André; Bergsten, Johan; Ive, Tommy; Dash, Saroj P.

2014-01-01

The van der Waals heterostructures of two-dimensional (2D) atomic crystals constitute a new paradigm in nanoscience. Hybrid devices of graphene with insulating 2D hexagonal boron nitride (h-BN) have emerged as promising nanoelectronic architectures through demonstrations of ultrahigh electron mobilities and charge-based tunnel transistors. Here, we expand the functional horizon of such 2D materials demonstrating the quantum tunneling of spin polarized electrons through atomic planes of CVD grown h-BN. We report excellent tunneling behavior of h-BN layers together with tunnel spin injection and transport in graphene using ferromagnet/h-BN contacts. Employing h-BN tunnel contacts, we observe enhancements in both spin signal amplitude and lifetime by an order of magnitude. We demonstrate spin transport and precession over micrometer-scale distances with spin lifetime up to 0.46 nanosecond. Our results and complementary magnetoresistance calculations illustrate that CVD h-BN tunnel barrier provides a reliable, reproducible and alternative approach to address the conductivity mismatch problem for spin injection into graphene. PMID:25156685

Evolution of Moiré Profiles from van der Waals Superstructures of Boron Nitride Nanosheets

PubMed Central

Liao, Yunlong; Cao, Wei; Connell, John W.; Chen, Zhongfang; Lin, Yi

2016-01-01

Two-dimensional (2D) van der Waals (vdW) superstructures, or vdW solids, are formed by the precise restacking of 2D nanosheet lattices, which can lead to unique physical and electronic properties that are not available in the parent nanosheets. Moiré patterns formed by the crystalline mismatch between adjacent nanosheets are the most direct features for vdW superstructures under microscopic imaging. In this article, transmission electron microscopy (TEM) observation of hexagonal Moiré patterns with unusually large micrometer-sized lateral areas (up to ~1 μm2) and periodicities (up to ~50 nm) from restacking of liquid exfoliated hexagonal boron nitride nanosheets (BNNSs) is reported. This observation was attributed to the long range crystallinity and the contaminant-free surfaces of these chemically inert nanosheets. Parallel-line-like Moiré fringes with similarly large periodicities were also observed. The simulations and experiments unambiguously revealed that the hexagonal patterns and the parallel fringes originated from the same rotationally mismatched vdW stacking of BNNSs and can be inter-converted by simply tilting the TEM specimen following designated directions. This finding may pave the way for further structural decoding of other 2D vdW superstructure systems with more complex Moiré images. PMID:27188697

Mapping the layer count of few-layer hexagonal boron nitride at high lateral spatial resolutions

NASA Astrophysics Data System (ADS)

Mohsin, Ali; Cross, Nicholas G.; Liu, Lei; Watanabe, Kenji; Taniguchi, Takashi; Duscher, Gerd; Gu, Gong

2018-01-01

Layer count control and uniformity of two dimensional (2D) layered materials are critical to the investigation of their properties and to their electronic device applications, but methods to map 2D material layer count at nanometer-level lateral spatial resolutions have been lacking. Here, we demonstrate a method based on two complementary techniques widely available in transmission electron microscopes (TEMs) to map the layer count of multilayer hexagonal boron nitride (h-BN) films. The mass-thickness contrast in high-angle annular dark-field (HAADF) imaging in the scanning transmission electron microscope (STEM) mode allows for thickness determination in atomically clean regions with high spatial resolution (sub-nanometer), but is limited by surface contamination. To complement, another technique based on the boron K ionization edge in the electron energy loss spectroscopy spectrum (EELS) of h-BN is developed to quantify the layer count so that surface contamination does not cause an overestimate, albeit at a lower spatial resolution (nanometers). The two techniques agree remarkably well in atomically clean regions with discrepancies within  ±1 layer. For the first time, the layer count uniformity on the scale of nanometers is quantified for a 2D material. The methodology is applicable to layer count mapping of other 2D layered materials, paving the way toward the synthesis of multilayer 2D materials with homogeneous layer count.

Electronic transport in NbSe₂ two-dimensional nanostructures: semiconducting characteristics and photoconductivity.

PubMed

Huang, Y H; Chen, R S; Zhang, J R; Huang, Y S

2015-12-07

The electronic transport properties of two-dimensional (2D) niobium diselenide (NbSe2) layer materials with two-hexagonal single-crystalline structures grown by chemical vapor transport were investigated. Those NbSe2 nanostructures isolated simply using mechanical exfoliation were found to exhibit lower conductivity and semiconducting properties, compared with their bulk metallic counterparts. Benefiting from lower dark conductivity, NbSe2 nanoflakes exhibit a remarkable photoresponse under different wavelengths and intensity excitations. The photocurrent responsivity and photoconductive gain can reach 3.8 A W(-1) and 300, respectively; these values are higher than those of graphene and MoS2 monolayers and are comparable with those of GaS and GaSe nanosheets. The presence of electron trap states at the surface was proposed as an explanation for the reduced dark conductivity and enhanced photoconductivity in the 2D NbSe2 nanostructures. This work identifies another possibility for the application of a metallic layer material as an optoelectronic component in addition to an ultrathin transparent conducting material.

The role of spin-orbit coupling in topologically protected interface states in Dirac materials

NASA Astrophysics Data System (ADS)

Abergel, D. S. L.; Edge, Jonathan M.; Balatsky, Alexander V.

2014-06-01

We highlight the fact that two-dimensional (2D) materials with Dirac-like low energy band structures and spin-orbit coupling (SOC) will produce linearly dispersing topologically protected Jackiw-Rebbi modes at interfaces where the Dirac mass changes sign. These modes may support persistent spin or valley currents parallel to the interface, and the exact arrangement of such topologically protected currents depends crucially on the details of the SOC in the material. As examples, we discuss buckled 2D hexagonal lattices such as silicene or germanene, and transition metal dichalcogenides such as Mo{{S}_{2}}.

Two-dimensional non-volatile programmable p-n junctions

NASA Astrophysics Data System (ADS)

Li, Dong; Chen, Mingyuan; Sun, Zhengzong; Yu, Peng; Liu, Zheng; Ajayan, Pulickel M.; Zhang, Zengxing

2017-09-01

Semiconductor p-n junctions are the elementary building blocks of most electronic and optoelectronic devices. The need for their miniaturization has fuelled the rapid growth of interest in two-dimensional (2D) materials. However, the performance of a p-n junction considerably degrades as its thickness approaches a few nanometres and traditional technologies, such as doping and implantation, become invalid at the nanoscale. Here we report stable non-volatile programmable p-n junctions fabricated from the vertically stacked all-2D semiconductor/insulator/metal layers (WSe2/hexagonal boron nitride/graphene) in a semifloating gate field-effect transistor configuration. The junction exhibits a good rectifying behaviour with a rectification ratio of 104 and photovoltaic properties with a power conversion efficiency up to 4.1% under a 6.8 nW light. Based on the non-volatile programmable properties controlled by gate voltages, the 2D p-n junctions have been exploited for various electronic and optoelectronic applications, such as memories, photovoltaics, logic rectifiers and logic optoelectronic circuits.

Two-dimensional non-volatile programmable p-n junctions.

PubMed

Li, Dong; Chen, Mingyuan; Sun, Zhengzong; Yu, Peng; Liu, Zheng; Ajayan, Pulickel M; Zhang, Zengxing

2017-09-01

Semiconductor p-n junctions are the elementary building blocks of most electronic and optoelectronic devices. The need for their miniaturization has fuelled the rapid growth of interest in two-dimensional (2D) materials. However, the performance of a p-n junction considerably degrades as its thickness approaches a few nanometres and traditional technologies, such as doping and implantation, become invalid at the nanoscale. Here we report stable non-volatile programmable p-n junctions fabricated from the vertically stacked all-2D semiconductor/insulator/metal layers (WSe 2 /hexagonal boron nitride/graphene) in a semifloating gate field-effect transistor configuration. The junction exhibits a good rectifying behaviour with a rectification ratio of 10 4 and photovoltaic properties with a power conversion efficiency up to 4.1% under a 6.8 nW light. Based on the non-volatile programmable properties controlled by gate voltages, the 2D p-n junctions have been exploited for various electronic and optoelectronic applications, such as memories, photovoltaics, logic rectifiers and logic optoelectronic circuits.

Graphene/MoS2 heterostructures as templates for growing two-dimensional metals: Predictions from ab initio calculations

NASA Astrophysics Data System (ADS)

Šljivančanin, Željko; Belić, Milivoj

2017-09-01

Preparation of single-atom-thick layers of ordinary metals has been a challenging task since their closely packed atoms lack layered structure with highly anisotropic bonding. Using computational modeling based on density functional theory we showed that graphene/MoS2 heterostructures can be used as suitable templates to grow stable two-dimensional (2D) clusters, as well as extended monoatomic layers of metals with nonlayered structure in the bulk. Considering gold and lithium as two metals with markedly different properties, we found that Li intercalants strengthen coupling between graphene (G) and MoS2, mainly due to electrostatic attraction of 2D materials with positively charged Li atoms. However, intercalation with large Au atoms gives rise to a significant increase in the distance between G and MoS2 and thus, weakens their interaction. In addition to strong preference for 2D growth, we demonstrated that Au intercalants weakly interact with both G and MoS2, and hence G /MoS2 vertical heterostructures could be a promising framework to prepare gold 2D structures with electronic properties closely resembling those of the hypothetical free-standing hexagonal gold monolayer.

Interfacial energetics of two-dimensional colloidal clusters generated with a tunable anharmonic interaction potential

NASA Astrophysics Data System (ADS)

Hilou, Elaa; Du, Di; Kuei, Steve; Biswal, Sibani Lisa

2018-02-01

Interfacial characteristics are critical to various properties of two-dimensional (2D) materials such as band alignment at a heterojunction and nucleation kinetics in a 2D crystal. Despite the desire to harness these enhanced interfacial properties for engineering new materials, unexpected phase transitions and defects, unique to the 2D morphology, have left a number of open questions. In particular, the effects of configurational anisotropy, which are difficult to isolate experimentally, and their influence on interfacial properties are not well understood. In this work, we begin to probe this structure-thermodynamic relationship, using a rotating magnetic field to generate an anharmonic interaction potential in a 2D system of paramagnetic particles. At low magnetic field strengths, weakly interacting colloidal particles form non-close-packed, fluidlike droplets, whereas, at higher field strengths, crystallites with hexagonal ordering are observed. We examine spatial and interfacial properties of these 2D colloidal clusters by measuring the local bond orientation order parameter and interfacial stiffness as a function of the interaction strength. To our knowledge, this is the first study to measure the tunable interfacial stiffness of a 2D colloidal cluster by controlling particle interactions using external fields.

Critical behavior of magnetization in URhAl: Quasi-two-dimensional Ising system with long-range interactions

NASA Astrophysics Data System (ADS)

Tateiwa, Naoyuki; Pospíšil, Jiří; Haga, Yoshinori; Yamamoto, Etsuji

2018-02-01

The critical behavior of dc magnetization in the uranium ferromagnet URhAl with the hexagonal ZrNiAl-type crystal structure has been studied around the ferromagnetic transition temperature TC. The critical exponent β for the temperature dependence of the spontaneous magnetization below TC,γ for the magnetic susceptibility, and δ for the magnetic isotherm at TC, have been obtained with a modified Arrott plot, a Kouvel-Fisher plot, the critical isotherm analysis, and the scaling analysis. We have determined the critical exponents as β =0.287 ±0.005 , γ =1.47 ±0.02 , and δ =6.08 ±0.04 by the scaling analysis and the critical isotherm analysis. These critical exponents satisfy the Widom scaling law δ =1 +γ /β . URhAl has strong uniaxial magnetic anisotropy, similar to its isostructural UCoAl that has been regarded as a three-dimensional (3D) Ising system in previous studies. However, the universality class of the critical phenomenon in URhAl does not belong to the 3D Ising model (β =0.325 , γ =1.241 , and δ =4.82 ) with short-range exchange interactions between magnetic moments. The determined exponents can be explained with the results of the renormalization group approach for a two-dimensional (2D) Ising system coupled with long-range interactions decaying as J (r ) ˜r-(d +σ ) with σ =1.44 . We suggest that the strong hybridization between the uranium 5 f and rhodium 4 d electrons in the U-RhI layer in the hexagonal crystal structure is a source of the low-dimensional magnetic property. The present result is contrary to current understandings of the physical properties in a series of isostructural UTX uranium ferromagnets (T: transition metals, X: p -block elements) based on the 3D Ising model.

Highly Stable, Dual-Gated MoS2 Transistors Encapsulated by Hexagonal Boron Nitride with Gate-Controllable Contact, Resistance, and Threshold Voltage.

PubMed

Lee, Gwan-Hyoung; Cui, Xu; Kim, Young Duck; Arefe, Ghidewon; Zhang, Xian; Lee, Chul-Ho; Ye, Fan; Watanabe, Kenji; Taniguchi, Takashi; Kim, Philip; Hone, James

2015-07-28

Emerging two-dimensional (2D) semiconductors such as molybdenum disulfide (MoS2) have been intensively studied because of their novel properties for advanced electronics and optoelectronics. However, 2D materials are by nature sensitive to environmental influences, such as temperature, humidity, adsorbates, and trapped charges in neighboring dielectrics. Therefore, it is crucial to develop device architectures that provide both high performance and long-term stability. Here we report high performance of dual-gated van der Waals (vdW) heterostructure devices in which MoS2 layers are fully encapsulated by hexagonal boron nitride (hBN) and contacts are formed using graphene. The hBN-encapsulation provides excellent protection from environmental factors, resulting in highly stable device performance, even at elevated temperatures. Our measurements also reveal high-quality electrical contacts and reduced hysteresis, leading to high two-terminal carrier mobility (33-151 cm(2) V(-1) s(-1)) and low subthreshold swing (80 mV/dec) at room temperature. Furthermore, adjustment of graphene Fermi level and use of dual gates enable us to separately control contact resistance and threshold voltage. This novel vdW heterostructure device opens up a new way toward fabrication of stable, high-performance devices based on 2D materials.

On domain symmetry and its use in homogenization

DOE PAGES

Barbarosie, Cristian A.; Tortorelli, Daniel A.; Watts, Seth E.

2017-03-08

The present study focuses on solving partial differential equations in domains exhibiting symmetries and periodic boundary conditions for the purpose of homogenization. We show in a systematic manner how the symmetry can be exploited to significantly reduce the complexity of the problem and the computational burden. This is especially relevant in inverse problems, when one needs to solve the partial differential equation (the primal problem) many times in an optimization algorithm. The main motivation of our study is inverse homogenization used to design architected composite materials with novel properties which are being fabricated at ever increasing rates thanks to recentmore » advances in additive manufacturing. For example, one may optimize the morphology of a two-phase composite unit cell to achieve isotropic homogenized properties with maximal bulk modulus and minimal Poisson ratio. Typically, the isotropy is enforced by applying constraints to the optimization problem. However, in two dimensions, one can alternatively optimize the morphology of an equilateral triangle and then rotate and reflect the triangle to form a space filling D 3 symmetric hexagonal unit cell that necessarily exhibits isotropic homogenized properties. One can further use this D 3 symmetry to reduce the computational expense by performing the “unit strain” periodic boundary condition simulations on the single triangle symmetry sector rather than the six fold larger hexagon. In this paper we use group representation theory to derive the necessary periodic boundary conditions on the symmetry sectors of unit cells. The developments are done in a general setting, and specialized to the two-dimensional dihedral symmetries of the abelian D 2, i.e. orthotropic, square unit cell and nonabelian D 3, i.e. trigonal, hexagon unit cell. We then demonstrate how this theory can be applied by evaluating the homogenized properties of a two-phase planar composite over the triangle symmetry sector of a D 3 symmetric hexagonal unit cell.« less

Wafer-Scale and Wrinkle-Free Epitaxial Growth of Single-Orientated Multilayer Hexagonal Boron Nitride on Sapphire.

PubMed

Jang, A-Rang; Hong, Seokmo; Hyun, Chohee; Yoon, Seong In; Kim, Gwangwoo; Jeong, Hu Young; Shin, Tae Joo; Park, Sung O; Wong, Kester; Kwak, Sang Kyu; Park, Noejung; Yu, Kwangnam; Choi, Eunjip; Mishchenko, Artem; Withers, Freddie; Novoselov, Kostya S; Lim, Hyunseob; Shin, Hyeon Suk

2016-05-11

Large-scale growth of high-quality hexagonal boron nitride has been a challenge in two-dimensional-material-based electronics. Herein, we present wafer-scale and wrinkle-free epitaxial growth of multilayer hexagonal boron nitride on a sapphire substrate by using high-temperature and low-pressure chemical vapor deposition. Microscopic and spectroscopic investigations and theoretical calculations reveal that synthesized hexagonal boron nitride has a single rotational orientation with AA' stacking order. A facile method for transferring hexagonal boron nitride onto other target substrates was developed, which provides the opportunity for using hexagonal boron nitride as a substrate in practical electronic circuits. A graphene field effect transistor fabricated on our hexagonal boron nitride sheets shows clear quantum oscillation and highly improved carrier mobility because the ultraflatness of the hexagonal boron nitride surface can reduce the substrate-induced degradation of the carrier mobility of two-dimensional materials.

Fully inkjet-printed two-dimensional material field-effect heterojunctions for wearable and textile electronics.

PubMed

Carey, Tian; Cacovich, Stefania; Divitini, Giorgio; Ren, Jiesheng; Mansouri, Aida; Kim, Jong M; Wang, Chaoxia; Ducati, Caterina; Sordan, Roman; Torrisi, Felice

2017-10-31

Fully printed wearable electronics based on two-dimensional (2D) material heterojunction structures also known as heterostructures, such as field-effect transistors, require robust and reproducible printed multi-layer stacks consisting of active channel, dielectric and conductive contact layers. Solution processing of graphite and other layered materials provides low-cost inks enabling printed electronic devices, for example by inkjet printing. However, the limited quality of the 2D-material inks, the complexity of the layered arrangement, and the lack of a dielectric 2D-material ink able to operate at room temperature, under strain and after several washing cycles has impeded the fabrication of electronic devices on textile with fully printed 2D heterostructures. Here we demonstrate fully inkjet-printed 2D-material active heterostructures with graphene and hexagonal-boron nitride (h-BN) inks, and use them to fabricate all inkjet-printed flexible and washable field-effect transistors on textile, reaching a field-effect mobility of ~91 cm 2  V -1  s -1 , at low voltage (<5 V). This enables fully inkjet-printed electronic circuits, such as reprogrammable volatile memory cells, complementary inverters and OR logic gates.

Capillary-Force-Assisted Clean-Stamp Transfer of Two-Dimensional Materials.

PubMed

Ma, Xuezhi; Liu, Qiushi; Xu, Da; Zhu, Yangzhi; Kim, Sanggon; Cui, Yongtao; Zhong, Lanlan; Liu, Ming

2017-11-08

A simple and clean method of transferring two-dimensional (2D) materials plays a critical role in the fabrication of 2D electronics, particularly the heterostructure devices based on the artificial vertical stacking of various 2D crystals. Currently, clean transfer techniques rely on sacrificial layers or bulky crystal flakes (e.g., hexagonal boron nitride) to pick up the 2D materials. Here, we develop a capillary-force-assisted clean-stamp technique that uses a thin layer of evaporative liquid (e.g., water) as an instant glue to increase the adhesion energy between 2D crystals and polydimethylsiloxane (PDMS) for the pick-up step. After the liquid evaporates, the adhesion energy decreases, and the 2D crystal can be released. The thin liquid layer is condensed to the PDMS surface from its vapor phase, which ensures the low contamination level on the 2D materials and largely remains their chemical and electrical properties. Using this method, we prepared graphene-based transistors with low charge-neutral concentration (3 × 10 10 cm -2 ) and high carrier mobility (up to 48 820 cm 2 V -1 s -1 at room temperature) and heterostructure optoelectronics with high operation speed. Finally, a capillary-force model is developed to explain the experiment.

High-Responsivity Graphene-Boron Nitride Photodetector and Autocorrelator in a Silicon Photonic Integrated Circuit.

PubMed

Shiue, Ren-Jye; Gao, Yuanda; Wang, Yifei; Peng, Cheng; Robertson, Alexander D; Efetov, Dmitri K; Assefa, Solomon; Koppens, Frank H L; Hone, James; Englund, Dirk

2015-11-11

Graphene and other two-dimensional (2D) materials have emerged as promising materials for broadband and ultrafast photodetection and optical modulation. These optoelectronic capabilities can augment complementary metal-oxide-semiconductor (CMOS) devices for high-speed and low-power optical interconnects. Here, we demonstrate an on-chip ultrafast photodetector based on a two-dimensional heterostructure consisting of high-quality graphene encapsulated in hexagonal boron nitride. Coupled to the optical mode of a silicon waveguide, this 2D heterostructure-based photodetector exhibits a maximum responsivity of 0.36 A/W and high-speed operation with a 3 dB cutoff at 42 GHz. From photocurrent measurements as a function of the top-gate and source-drain voltages, we conclude that the photoresponse is consistent with hot electron mediated effects. At moderate peak powers above 50 mW, we observe a saturating photocurrent consistent with the mechanisms of electron-phonon supercollision cooling. This nonlinear photoresponse enables optical on-chip autocorrelation measurements with picosecond-scale timing resolution and exceptionally low peak powers.

Two-dimensional inorganic-organic perovskite hexagonal nanosheets: growth and mechanism

NASA Astrophysics Data System (ADS)

Shakya, Suman; Prakash, G. Vijaya

2015-03-01

In this era of novel technological materials, inorganic-organic (IO) materials has emerged as new class of materials for their application in photonic materials, miniaturized sensors, optoelectronic devices, non-linear optical apparatus by exploiting the properties of both constituents in a single entity. Here we present the formation and growth mechanism of two dimensional Inorganic-organic (IO) perovskite structures from anisotropically grown PbO hexagonal nanosheets, in three steps: Fabrication of hexagonal PbO nanosheets by the versatile bottom-up electrochemical deposition technique, iodinization of PbO into PbI2, followed by conversion of PbI2 into IO hybrid by the intercalation of organic moiety. A systematic and detailed structural study reveals that PbO nanosheet formation is more likely to result from an oriented attachment mechanism, in which the sheets formed by the reduction in surface area that happens during aggregation of small nanoparticle that each has a net dipole moment, which tends to form a self-assembled structure. Intercalation of organic moiety into the PbI2 layers yielded a selfassembled quantum-wells system of one of the IO hybrid, i.e. (C6H9C2H4NH3)2PbI4 (CHPI), sustaining the hexagonal shape.

Synthesis of Hexagonal Boron Nitride Mono layer: Control of Nucleation and Crystal Morphology

DOE PAGES

Stehle, Yijing Y.; Meyer, III, Harry M.; Unocic, Raymond R.; ...

2015-11-10

Mono layer hexagonal boron nitride (hBN) attracts significant attention due to the potential to be used as a complementary two-dimensional dielectric in fabrication of functional 2D heterostructures. Here we investigate the growth stages of the hBN single crystals and show that hBN crystals change their shape from triangular to truncated triangular and further to hexagonal depending on copper substrate distance from the precursor. We suggest that the observed hBN crystal shape variation is affected by the ratio of boron to nitrogen active species concentrations on the copper surface inside the CVD reactor. Strong temperature dependence reveals the activation energies formore » the hBN nucleation process of similar to 5 eV and crystal growth of similar to 3.5 eV. We also show that the resulting h-BN film morphology is strongly affected by the heating method of borazane precursor and the buffer gas. Elucidation of these details facilitated synthesis of high quality large area monolayer hexagonal boron nitride by atmospheric pressure chemical vapor deposition on copper using borazane as a precursor.« less

Hexagonal boron nitride cover on Pt(111): a new route to tune molecule-metal interaction and metal-catalyzed reactions.

PubMed

Zhang, Yanhong; Weng, Xuefei; Li, Huan; Li, Haobo; Wei, Mingming; Xiao, Jianping; Liu, Zhi; Chen, Mingshu; Fu, Qiang; Bao, Xinhe

2015-05-13

In heterogeneous catalysis molecule-metal interaction is often modulated through structural modifications at the surface or under the surface of the metal catalyst. Here, we suggest an alternative way toward this modulation by placing a two-dimensional (2D) cover on the metal surface. As an illustration, CO adsorption on Pt(111) surface has been studied under 2D hexagonal boron nitride (h-BN) overlayer. Dynamic imaging data from surface electron microscopy and in situ surface spectroscopic results under near ambient pressure conditions confirm that CO molecules readily intercalate monolayer h-BN sheets on Pt(111) in CO atmosphere but desorb from the h-BN/Pt(111) interface even around room temperature in ultrahigh vacuum. The interaction of CO with Pt has been strongly weakened due to the confinement effect of the h-BN cover, and consequently, CO oxidation at the h-BN/Pt(111) interface was enhanced thanks to the alleviated CO poisoning effect.

Ag-NP@Ge-nanotaper/Si-micropillar ordered arrays as ultrasensitive and uniform surface enhanced Raman scattering substrates

NASA Astrophysics Data System (ADS)

Liu, Jing; Meng, Guowen; Li, Zhongbo; Huang, Zhulin; Li, Xiangdong

2015-10-01

Surface-enhanced Raman scattering (SERS) is considered to be an excellent candidate for analytical detection schemes, because of its molecular specificity, rapid response and high sensitivity. Here, SERS-substrates of Ag-nanoparticle (Ag-NP) decorated Ge-nanotapers grafted on hexagonally ordered Si-micropillar (denoted as Ag-NP@Ge-nanotaper/Si-micropillar) arrays are fabricated via a combinatorial process of two-step etching to achieve hexagonal Si-micropillar arrays, chemical vapor deposition of flocky Ge-nanotapers on each Si-micropillar and decoration of Ag-NPs onto the Ge-nanotapers through galvanic displacement. With high density three-dimensional (3D) ``hot spots'' created from the large quantities of the neighboring Ag-NPs and large-scale uniform morphology, the hierarchical Ag-NP@Ge-nanotaper/Si-micropillar arrays exhibit strong and reproducible SERS activity. Using our hierarchical 3D SERS-substrates, both methyl parathion (a commonly used pesticide) and PCB-2 (one congener of highly toxic polychlorinated biphenyls) with concentrations down to 10-7 M and 10-5 M have been detected respectively, showing great potential in SERS-based rapid trace-level detection of toxic organic pollutants in the environment.Surface-enhanced Raman scattering (SERS) is considered to be an excellent candidate for analytical detection schemes, because of its molecular specificity, rapid response and high sensitivity. Here, SERS-substrates of Ag-nanoparticle (Ag-NP) decorated Ge-nanotapers grafted on hexagonally ordered Si-micropillar (denoted as Ag-NP@Ge-nanotaper/Si-micropillar) arrays are fabricated via a combinatorial process of two-step etching to achieve hexagonal Si-micropillar arrays, chemical vapor deposition of flocky Ge-nanotapers on each Si-micropillar and decoration of Ag-NPs onto the Ge-nanotapers through galvanic displacement. With high density three-dimensional (3D) ``hot spots'' created from the large quantities of the neighboring Ag-NPs and large-scale uniform morphology, the hierarchical Ag-NP@Ge-nanotaper/Si-micropillar arrays exhibit strong and reproducible SERS activity. Using our hierarchical 3D SERS-substrates, both methyl parathion (a commonly used pesticide) and PCB-2 (one congener of highly toxic polychlorinated biphenyls) with concentrations down to 10-7 M and 10-5 M have been detected respectively, showing great potential in SERS-based rapid trace-level detection of toxic organic pollutants in the environment. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr06001j

Ultrathin Two-Dimensional Covalent Organic Framework Nanosheets: Preparation and Application in Highly Sensitive and Selective DNA Detection.

PubMed

Peng, Yongwu; Huang, Ying; Zhu, Yihan; Chen, Bo; Wang, Liying; Lai, Zhuangchai; Zhang, Zhicheng; Zhao, Meiting; Tan, Chaoliang; Yang, Nailiang; Shao, Fangwei; Han, Yu; Zhang, Hua

2017-06-28

The ability to prepare ultrathin two-dimensional (2D) covalent organic framework (COF) nanosheets (NSs) in high yield is of great importance for the further exploration of their unique properties and potential applications. Herein, by elaborately designing and choosing two flexible molecules with C 3v molecular symmetry as building units, a novel imine-linked COF, namely, TPA-COF, with a hexagonal layered structure and sheet-like morphology, is synthesized. Since the flexible building units are integrated into the COF skeletons, the interlayer stacking becomes weak, resulting in the easy exfoliation of TPA-COF into ultrathin 2D NSs. Impressively, for the first time, the detailed structural information, i.e., the pore channels and individual building units in the NSs, is clearly visualized by using the recently developed low-dose imaging technique of transmission electron microscopy (TEM). As a proof-of-concept application, the obtained ultrathin COF NSs are used as a novel fluorescence sensing platform for the highly sensitive and selective detection of DNA.

Recent progress in plasma-assisted synthesis and modification of 2D materials

NASA Astrophysics Data System (ADS)

Han, Zhao Jun; Murdock, Adrian T.; Seo, Dong Han; Bendavid, Avi

2018-07-01

Plasma represents an important technique for both the synthesis and modification of two-dimensional (2D) materials, owing to the unique plasma-material interactions which can enable effective energy transfer at the nanoscale. Non-equilibrium and non-thermal plasma techniques have been widely applied on various 2D materials, including graphene, silicene, germanene, phosphorene, hexagonal boron nitride (h-BN), and transition metal dichalcogenides such as MoS2 and WS2. Here, we review the recent progress in plasma-assisted synthesis and modification (e.g. functionalisation, doping and etching) of 2D materials and discuss the potential applications of this unique branch of 2D materials. Challenges and future research opportunities in the relevant research field are also discussed. The primary aim of this Review is to provide a better understanding of the plasma-assisted processes and to promote the utilization of 2D materials for advanced electronic, optoelectronic, sensing and energy storage applications.

Observation of the Chiral and Achiral Hexatic Phases of Self-assembled Micellar polymers

PubMed Central

Pal, Antara; Kamal, Md. Arif; Raghunathan, V. A.

2016-01-01

We report the discovery of a thermodynamically stable line hexatic (N + 6) phase in a three-dimensional (3D) system made up of self-assembled polymer-like micelles of amphiphilic molecules. The experimentally observed phase transition sequence nematic (N)  N + 6  two-dimensional hexagonal (2D-H) is in good agreement with the theoretical predictions. Further, the present study also brings to light the effect of chirality on the N + 6 phase. In the chiral N + 6 phase the bond-orientational order within each “polymer” bundle is found to be twisted about an axis parallel to the average polymer direction. This structure is consistent with the theoretically envisaged Moiré state, thereby providing the first experimental demonstration of the Moiré structure. In addition to confirming the predictions of fundamental theories of two-dimensional melting, these results are relevant in a variety of situations in chemistry, physics and biology, where parallel packing of polymer-like objects are encountered. PMID:27577927

Investigation on structural, thermal, optical and sensing properties of meta-stable hexagonal MoO(3) nanocrystals of one dimensional structure.

PubMed

Chithambararaj, Angamuthuraj; Bose, Arumugam Chandra

2011-01-01

Hexagonal molybdenum oxide (h-MoO(3)) was synthesized by a solution based chemical precipitation technique. Analysis by X-ray diffraction (XRD) confirmed that the as-synthesized powder had a metastable hexagonal structure. The characteristic vibrational band of Mo-O was identified from Fourier transform infrared spectroscopy (FT-IR). Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) images clearly depicted the morphology and size of h-MoO(3.) The morphology study showed that the product comprises one-dimensional (1D) hexagonal rods. From the electron energy loss spectroscopy (EELS) measurement, the elemental composition was investigated and confirmed from the characteristic peaks of molybdenum and oxygen. Thermogravimetric (TG) analysis on metastable MoO(3) revealed that the hexagonal phase was stable up to 430 °C and above this temperature complete transformation into a highly stable orthorhombic phase was achieved. The optical band gap energy was estimated from the Kubelka-Munk (K-M) function and was found to be 2.99 eV. Finally, the ethanol vapor-sensing behavior was investigated and the sensing response was found to vary linearly as a function of ethanol concentration in the parts per million (ppm) range.

Optimization of pore structure and particle morphology of mesoporous silica for antibody adsorption for use in affinity chromatography

NASA Astrophysics Data System (ADS)

Hikosaka, Ryouichi; Nagata, Fukue; Tomita, Masahiro; Kato, Katsuya

2016-10-01

Antibodies have received significant attention for use as antibody drugs, because they bind the objective protein (antigen) via antigen-antibody reactions. Recently, many reports have appeared on various monoclonal antibodies that recognize a single antigen. In this study, monoclonal antibodies are used as adsorbates on mesoporous silica (MPS) for affinity chromatography. MPS has high surface area and large pore volume; moreover, pore diameter, pore structure, and particle morphology are relatively easy to tune by adjusting the conditions of synthesis. The pore structure (two-dimensional (2D) hexagonal and three-dimensional cubic) and particle morphology (spherical and polyhedral) of MPS are optimized for use in a monoclonal antibody/MPS composite. When anti-IgG (one of the monoclonal antibodies) adsorbs on the MPS material and IgG (antigen) binds to anti-IgG/MPS composites, MCM-41p with a 2D-hexagonal pore structure and polyhedral particle morphology has the highest IgG binding efficiency. In addition, the antibody/MPS composites remain stable in chaotropic and low-pH solutions and can be cycled at least five times without decreasing IgG elution. In purification and removal tests, the use of the antibody/MPS composites allows only the objective protein from protein mixtures to be bound and eluted.

Dirac electrons in Moiré superlattice: From two to three dimensions

NASA Astrophysics Data System (ADS)

Hu, Chen; Michaud-Rioux, Vincent; Kong, Xianghua; Guo, Hong

2017-11-01

Moiré patterns in van der Waals (vdW) heterostructures bring novel physical effects to the materials. We report theoretical investigations of the Moiré pattern formed by graphene (Gr) on hexagonal boron nitride (h BN). For both the two-dimensional (2D) flat-sheet and the freestanding three-dimensional (3D) wavelike film geometries, the behaviors of Dirac electrons are strongly modulated by the local high-symmetry stacking configurations of the Moiré pattern. In the 2D flat sheet, the secondary Dirac cone (SDC) dispersion emerges due to the stacking-selected localization of SDC wave functions, while the original Dirac cone (ODC) gap is suppressed due to an overall effect of ODC wave functions. In the freestanding 3D wavelike Moiré structure, we predict that a specific local stacking in the Moiré superlattice is promoted at the expense of other local stackings, leading to an electronic structure more similar to that of the perfectly matching flat Gr/h BN than that of the flat-sheet 2D Moiré pattern. To capture the overall picture of the Moiré superlattice, supercells containing 12 322 atoms are simulated by first principles.

Group-theoretical analysis of two-dimensional hexagonal materials

NASA Astrophysics Data System (ADS)

Minami, Susumu; Sugita, Itaru; Tomita, Ryosuke; Oshima, Hiroyuki; Saito, Mineo

2017-10-01

Two-dimensional hexagonal materials such as graphene and silicene have highly symmetric crystal structures and Dirac cones at the K point, which induce novel electronic properties. In this report, we calculate their electronic structures by using density functional theory and analyze their band structures on the basis of the group theory. Dirac cones frequently appear when the symmetry at the K point is high; thus, two-dimensional irreducible representations are included. We discuss the relationship between symmetry and the appearance of the Dirac cone.

A new Dirac cone material: a graphene-like Be3C2 monolayer.

PubMed

Wang, Bing; Yuan, Shijun; Li, Yunhai; Shi, Li; Wang, Jinlan

2017-05-04

Two-dimensional (2D) materials with Dirac cones exhibit rich physics and many intriguing properties, but the search for new 2D Dirac materials is still a current hotspot. Using the global particle-swarm optimization method and density functional theory, we predict a new stable graphene-like 2D Dirac material: a Be 3 C 2 monolayer with a hexagonal honeycomb structure. The Dirac point occurs exactly at the Fermi level and arises from the merging of the hybridized p z bands of Be and C atoms. Most interestingly, this monolayer exhibits a high Fermi velocity in the same order of graphene. Moreover, the Dirac cone is very robust and retains even included spin-orbit coupling or external strain. These outstanding properties render the Be 3 C 2 monolayer a promising 2D material for special electronics applications.

Two-dimensional pentagonal CrX (X = S, Se or Te) monolayers: antiferromagnetic semiconductors for spintronics and photocatalysts.

PubMed

Chen, Wenzhou; Kawazoe, Yoshiyuki; Shi, Xingqiang; Pan, Hui

2018-06-25

Two dimensional (2D) materials with hexagonal building blocks have received tremendous interest in recent years and show promise as nanoscale devices for versatile applications. Herein, we propose a new family of 2D pentagonal CrX (X = S, Se or Te) monolayers (penta-CrX) for applications in electronics, spintronics and photocatalysis. We find that the 2D penta-CrX monolayers are thermally, structurally and mechanically stable. The penta-CrX monolayers are antiferromagnetic and semiconducting. We show that the magnetism is attributed to the super-exchange induced by the ionic interactions between the Cr and X atoms and can be enhanced upon applying tension. We further show that the penta-CrS and penta-CrSe monolayers show good redox potentials versus a normal hydrogen electrode, and their band gaps are comparable to the energy of a photon in the visible light region, indicating their capability of maximal utilization of solar energy for water splitting. With intrinsic semiconducting and controllable magnetic properties, the proposed penta-CrX monolayers may hold promise as flexible spintronics and photocatalysts.

Fiber-based three-dimensional multi-mode interference device as efficient power divider and vector curvature sensor

NASA Astrophysics Data System (ADS)

Zhang, Ziyang; Fiebrandt, Julia; Haynes, Dionne; Sun, Kai; Madhav, Kalaga; Stoll, Andreas; Makan, Kirill; Makan, Vadim; Roth, Martin

2018-03-01

Three-dimensional multi-mode interference devices are demonstrated using a single-mode fiber (SMF) center-spliced to a section of polygon-shaped core multimode fiber (MMF). This simple structure can effectively generate well-localized self-focusing spots that match to the layout of a chosen multi-core fiber (MCF) as a launcher device. An optimized hexagon-core MMF can provide efficient coupling from a SMF to a 7-core MCF with an insertion loss of 0.6 dB and a power imbalance of 0.5 dB, while a square-core MMF can form a self-imaging pattern with symmetrically distributed 2 × 2, 3 × 3 or 4 × 4 spots. These spots can be directly received by a two-dimensional detector array. The device can work as a vector curvature sensor by comparing the relative power among the spots with a resolution of ∼0.1° over a 1.8 mm-long MMF.

Observation of biexcitonic emission at extremely low power density in tungsten disulfide atomic layers grown on hexagonal boron nitride.

PubMed

Okada, Mitsuhiro; Miyauchi, Yuhei; Matsuda, Kazunari; Taniguchi, Takashi; Watanabe, Kenji; Shinohara, Hisanori; Kitaura, Ryo

2017-03-23

Monolayer transition metal dichalcogenides (TMDCs) including WS 2 , MoS 2 , WSe 2 and WS 2 , are two-dimensional semiconductors with direct bandgap, providing an excellent field for exploration of many-body effects in 2-dimensions (2D) through optical measurements. To fully explore the physics of TMDCs, the prerequisite is preparation of high-quality samples to observe their intrinsic properties. For this purpose, we have focused on high-quality samples, WS 2 grown by chemical vapor deposition method with hexagonal boron nitride as substrates. We observed sharp exciton emissions, whose linewidth is typically 22~23 meV, in photoluminescence spectra at room temperature, which result clearly demonstrates the high-quality of the current samples. We found that biexcitons formed with extremely low-excitation power (240 W/cm 2 ) at 80 K, and this should originate from the minimal amount of localization centers in the present high-quality samples. The results clearly demonstrate that the present samples can provide an excellent field, where one can observe various excitonic states, offering possibility of exploring optical physics in 2D and finding new condensates.

Interface formation in monolayer graphene-boron nitride heterostructures.

PubMed

Sutter, P; Cortes, R; Lahiri, J; Sutter, E

2012-09-12

The ability to control the formation of interfaces between different materials has become one of the foundations of modern materials science. With the advent of two-dimensional (2D) crystals, low-dimensional equivalents of conventional interfaces can be envisioned: line boundaries separating different materials integrated in a single 2D sheet. Graphene and hexagonal boron nitride offer an attractive system from which to build such 2D heterostructures. They are isostructural, nearly lattice-matched, and isoelectronic, yet their different band structures promise interesting functional properties arising from their integration. Here, we use a combination of in situ microscopy techniques to study the growth and interface formation of monolayer graphene-boron nitride heterostructures on ruthenium. In a sequential chemical vapor deposition process, boron nitride grows preferentially at the edges of existing monolayer graphene domains, which can be exploited for synthesizing continuous 2D membranes of graphene embedded in boron nitride. High-temperature growth leads to intermixing near the interface, similar to interfacial alloying in conventional heterostructures. Using real-time microscopy, we identify processes that eliminate this intermixing and thus pave the way to graphene-boron nitride heterostructures with atomically sharp interfaces.

High-Responsivity Graphene–Boron Nitride Photodetector and Autocorrelator in a Silicon Photonic Integrated Circuit

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shiue, Ren-Jye; Gao, Yuanda; Wang, Yifei

2015-11-11

Graphene and other two-dimensional (2D) materials have emerged as promising materials for broadband and ultrafast photodetection and optical modulation. These optoelectronic capabilities can augment complementary metal–oxide–semiconductor (CMOS) devices for high-speed and low-power optical interconnects. Here, we demonstrate an on-chip ultrafast photodetector based on a two-dimensional heterostructure consisting of high-quality graphene encapsulated in hexagonal boron nitride. Coupled to the optical mode of a silicon waveguide, this 2D heterostructure-based photodetector exhibits a maximum responsivity of 0.36 A/W and high-speed operation with a 3 dB cutoff at 42 GHz. From photocurrent measurements as a function of the top-gate and source-drain voltages, we concludemore » that the photoresponse is consistent with hot electron mediated effects. At moderate peak powers above 50 mW, we observe a saturating photocurrent consistent with the mechanisms of electron–phonon supercollision cooling. This nonlinear photoresponse enables optical on-chip autocorrelation measurements with picosecond-scale timing resolution and exceptionally low peak powers.« less

Self-Assembly of DNA-Coated Particles: Experiment, Simulation and Theory

NASA Astrophysics Data System (ADS)

Song, Minseok

The bottom-up assembly of material architectures with tunable complexity, function, composition, and structure is a long sought goal in rational materials design. One promising approach aims to harnesses the programmability and specificity of DNA hybridization in order to direct the assembly of oligonucleotide-functionalized nano- and micro-particles by tailoring, in part, interparticle interactions. DNA-programmable assembly into three-dimensionally ordered structures has attracted extensive research interest owing to emergent applications in photonics, plasmonics and catalysis and potentially many other areas. Progress on the rational design of DNA-mediated interactions to create useful two-dimensional structures (e.g., structured films), on the other hand, has been rather slow. In this thesis, we establish strategies to engineer a diversity of 2D crystalline arrangements by designing and exploiting DNA-programmable interparticle interactions. We employ a combination of simulation, theory and experiments to predict and confirm accessibility of 2D structural diversity in an effort to establish a rational approach to 2D DNA-mediated particle assembly. We start with the experimental realization of 2D DNA-mediated assembly by decorating micron-sized silica particles with covalently attached single-stranded DNA through a two-step reaction. Subsequently, we elucidate sensitivity and ultimate controllability of DNA-mediated assembly---specifically the melting transition from dispersed singlet particles to aggregated or assembled structures---through control of the concentration of commonly employed nonionic surfactants. We relate the observed tunability to an apparent coupling with the critical micelle temperature in these systems. Also, both square and hexagonal 2D ordered particle arrangements are shown to evolve from disordered aggregates under appropriate annealing conditions defined based upon pre-established melting profiles. Subsequently, the controlled mixing of complementary ssDNA functionality on individual particles ('multi-flavoring') as opposed to functionalization of particles with the same type of ssDNA ('uni-flavoring') is explored as a possible design handle for tuning interparticle interactions and, thereby, accessing diverse structures. We employ a combination of simulations, theory, and experimental validation toward establishing 'multi-flavoring' as a rational design strategy. Firstly, MD simulations are carried out using effective pair potentials to describe interparticle interactions that are representative of different degrees of ssDNA 'multi-flavoring'. These simulations reveal the template-free assembly of a diversity of 2D crystal polymorphs that is apparently tunable by controlling the relative attractive strengths between like and unlike functionalized particles. The resulting phase diagrams predict conditions (i.e., strengths of relative interparticle interactions) for obtaining crystalline phases with lattice symmetries ranging among square, alternating string hexagonal, random hexagonal, rhombic, honeycomb, and even kagome. Finally, these model findings are translated to experiments, in which binary microparticles are decorated with a tailored mixture of two different complementary ssDNA strands as a straight-forward means to realize tunable particle interactions. Guided by simple statistical mechanics and the detailed MD simulations, 'multi-flavoring' and control of solution phase particle stoichiometry resulted in experimental realization of structurally diverse 2D microparticle assemblies consistent with predictions, such as square, pentagonal and hexagonal lattices (honeycomb, kagome). The combined simulation, theory, and experimental findings reveal how control of interparticle interactions via DNA-functionalized particle "multi-flavoring" can lead to an even wider range of accessible colloidal crystal structures. The 2D experiments coupled with the model predictions may be used to provide new fundamental insight into nano- or microparticle assembly in three dimensions.

2D layered insulator hexagonal boron nitride enabled surface passivation in dye sensitized solar cells.

PubMed

Shanmugam, Mariyappan; Jacobs-Gedrim, Robin; Durcan, Chris; Yu, Bin

2013-11-21

A two-dimensional layered insulator, hexagonal boron nitride (h-BN), is demonstrated as a new class of surface passivation materials in dye-sensitized solar cells (DSSCs) to reduce interfacial carrier recombination. We observe ~57% enhancement in the photo-conversion efficiency of the DSSC utilizing h-BN coated semiconductor TiO2 as compared with the device without surface passivation. The h-BN coated TiO2 is characterized by Raman spectroscopy to confirm the presence of highly crystalline, mixed monolayer/few-layer h-BN nanoflakes on the surface of TiO2. The passivation helps to minimize electron-hole recombination at the TiO2/dye/electrolyte interfaces. The DSSC with h-BN passivation exhibits significantly lower dark saturation current in the low forward bias region and higher saturation in the high forward bias region, respectively, suggesting that the interface quality is largely improved without impeding carrier transport at the material interface. The experimental results reveal that the emerging 2D layered insulator could be used for effective surface passivation in solar cell applications attributed to desirable material features such as high crystallinity and self-terminated/dangling-bond-free atomic planes as compared with high-k thin-film dielectrics.

Martensitic and austenitic transformations in core-surface cubic nanoparticles

NASA Astrophysics Data System (ADS)

Özüm, S.; Yalçın, O.; Erdem, R.; Bayrakdar, H.; Eker, H. N.

2015-01-01

As a continuation of our recently published work, we have used the pair approximation in Kikuchi version to investigate martensitic and austenitic transformations in homogeneous (HM) and composite (CM) cubic nanoparticles (CNPs) based on the Blume-Emery-Griffiths model. A single cubic nanoparticle made of a core surrounded by a surface is considered as shaped in two dimensional (2D) square arrays instead of hexagonal array. From the phase diagrams of HM and CM-CNPs it has been observed that the martensitic-austenitic transformations (MT-AT) occurred. The influence of the exchange coupling and single-ion anisotropy parameters in the model Hamiltonian on the MT-AT is studied and analyzed in comparison with the results for hexagonal nanoparticles. Significant changes of the phase transition points and hysteresis behaviours depending upon the particle structure have been discussed.

Comparative study of the interfaces of graphene and hexagonal boron nitride with silver

NASA Astrophysics Data System (ADS)

Garnica, Manuela; Schwarz, Martin; Ducke, Jacob; He, Yuanqin; Bischoff, Felix; Barth, Johannes V.; Auwärter, Willi; Stradi, Daniele

2016-10-01

Silver opens up interesting perspectives in the fabrication of complex systems based on heteroepitaxial layers after the growth of a silicene layer on its (111) face has been proposed. In this work we explore different synthesis methods of hexagonal boron nitride (h -BN) and graphene sheets on silver. The resulting layers have been examined by high-resolution scanning tunneling microscopy. A comparison of the interfacial electronic band structure upon growth of the distinct two-dimensional (2D) layers has been performed by scanning tunneling spectroscopy and complementary first-principle calculations. We demonstrate that the adsorption of the 2D layers has an effect on the binding energy of the Shockley state and the surface potential by lowering the local work function. These effects are larger in the case of graphene where the surface state of Ag(111) is depopulated due to charge transfer to the graphene. Furthermore, we show that the electronic properties of the h -BN/silver system can be tuned by employing different thicknesses of silver ranging from a few monolayers on Cu(111) to the single crystal Ag substrate.

Structural and opto-electronic properties of 2D AlSb monolayer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Deobrat, E-mail: deobratsingh9@gmail.com; Sonvane, Yogesh; Gupta, Sanjeev K.

2016-05-23

We have investigated dielectric function related optical properties such as refractive index, absorption coefficient of two-dimensional hexagonal system of aluminum antimony (AlSb). We have also find structural and electronic properties of AlSb which show direct/indirect band gap with planar structure, employing the density functional theory using the generalized gradient approximation (GGA) given by Perdew-Burke-Ernzerhof (PBE) functional for exchange-correlation potential. The refractive index n(ω) increases with frequency in the near infrared region but in visible region n(ω) increasing after decrease.

Exact solution of two collinear cracks normal to the boundaries of a 1D layered hexagonal piezoelectric quasicrystal

NASA Astrophysics Data System (ADS)

Zhou, Y.-B.; Li, X.-F.

2018-07-01

The electroelastic problem related to two collinear cracks of equal length and normal to the boundaries of a one-dimensional hexagonal piezoelectric quasicrystal layer is analysed. By using the finite Fourier transform, a mixed boundary value problem is solved when antiplane mechanical loading and inplane electric loading are applied. The problem is reduce to triple series equations, which are then transformed to a singular integral equation. For uniform remote loading, an exact solution is obtained in closed form, and explicit expressions for the electroelastic field are determined. The intensity factors of the electroelastic field and the energy release rate at the inner and outer crack tips are given and presented graphically.

Development of simulation approach for two-dimensional chiral molecular self-assembly driven by hydrogen bond at the liquid/solid interface

NASA Astrophysics Data System (ADS)

Qin, Yuan; Yao, Man; Hao, Ce; Wan, Lijun; Wang, Yunhe; Chen, Ting; Wang, Dong; Wang, Xudong; Chen, Yonggang

2017-09-01

Two-dimensional (2D) chiral self-assembly system of 5-(benzyloxy)-isophthalic acid derivative/(S)-(+)-2-octanol/highly oriented pyrolytic graphite was studied. A combined density functional theory/molecular mechanics/molecular dynamics (DFT/MM/MD) approach for system of 2D chiral molecular self-assembly driven by hydrogen bond at the liquid/solid interface was thus proposed. Structural models of the chiral assembly were built on the basis of scanning tunneling microscopy (STM) images and simplified for DFT geometry optimization. Merck Molecular Force Field (MMFF) was singled out as the suitable force field by comparing the optimized configurations of MM and DFT. MM and MD simulations for hexagonal unit model which better represented the 2D assemble network were then preformed with MMFF. The adhesion energy, evolution of self-assembly process and characteristic parameters of hydrogen bond were obtained and analyzed. According to the above simulation, the stabilities of the clockwise and counterclockwise enantiomorphous networks were evaluated. The calculational results were supported by STM observations and the feasibility of the simulation method was confirmed by two other systems in the presence of chiral co-absorbers (R)-(-)-2-octanol and achiral co-absorbers 1-octanol. This theoretical simulation method assesses the stability trend of 2D enantiomorphous assemblies with atomic scale and can be applied to the similar hydrogen bond driven 2D chirality of molecular self-assembly system.

The growth process of first water layer and crystalline ice on the Rh(111) surface

NASA Astrophysics Data System (ADS)

Beniya, Atsushi; Sakaguchi, Yuji; Narushima, Tetsuya; Mukai, Kozo; Yamashita, Yoshiyuki; Yoshimoto, Shinya; Yoshinobu, Jun

2009-01-01

The adsorption states and growth process of the first layer and multilayer of water (D2O) on Rh(111) above 135K were investigated using infrared reflection absorption spectroscopy (IRAS), temperature programed desorption, spot-profile-analysis low-energy electron diffraction, and scanning tunneling microscopy (STM). At the initial stage, water molecules form commensurate (√3×√3)R30° islands, whose size is limited for several hexagonal units; the average diameter is ˜2.5nm. This two-dimensional (2D) island includes D-down species, and free OD species exist at the island edge. With increasing coverage, the D-up species starts to appear in IRAS. At higher coverages, the 2D islands are connected in STM images. By the titration of Xe adsorption we estimated that the D-down domain occupies about 55% on Rh(111) at the saturation coverage. Further adsorption of water molecules forms three-dimensional ice crystallites on the first water layer; thus, the growth mode of crystalline water layers on Rh(111) is a Stranski-Krastanov type. We have found that an ice crystallite starts to grow on D-down domains and the D-down species do not reorient upon the formation of a crystalline ice.

A new indium metal-organic 3D framework with 1,3,5-benzenetricarboxylate, MIL-96 (In), containing {mu} {sub 3}-oxo-centered trinuclear units and a hexagonal 18-ring network

DOE Office of Scientific and Technical Information (OSTI.GOV)

Volkringer, Christophe; Loiseau, Thierry

2006-05-25

A new indium trimesate In{sub 12}O(OH){sub 12}({l_brace}OH{r_brace}{sub 4},{l_brace}H{sub 2}O{r_brace}{sub 5})[btc]{sub 6}.{approx}31H{sub 2}O, called MIL-96 (btc = 1,3,5-benzenetricarboxylate or trimesate species) was hydrothermally synthesized under mild condition (210 deg. C, 5 h) in the presence of trimethyl 1,3,5-benzenetricarboxylate in water and characterized by single-crystal X-ray diffraction technique. The MIL-96 (In) structure exhibits a three-dimensional metal-organic framework containing isolated trinuclear {mu} {sub 3}-oxo-bridged indium clusters and infinite chains of InO{sub 4}(OH){sub 2} and InO{sub 2}(OH){sub 3}(H{sub 2}O) octahedra generating a hexagonal network based on 18-membered ring. The two types of indium entities are connected to each other through the trimesate species whichmore » induce corrugated chains of indium octahedra, linked via {mu} {sub 2}-hydroxo bonds with the specific -cis-cis-trans- sequence. The 3D framework of MIL-96 reveals three kind of cavities (two of them have estimated {approx} 400 A{sup 3} volumes), in which are encapsulated free water molecules. The latter species are removed upon heating at 150 deg. C.« less

Effective characterization of polymer residues on two-dimensional materials by Raman spectroscopy

NASA Astrophysics Data System (ADS)

Park, Ji-Hoon; Choi, Soo Ho; Chae, Won Uk; Stephen, Boandoh; Park, Hyeon Ki; Yang, Woochul; Kim, Soo Min; Lee, Joo Song; Kim, Ki Kang

2015-12-01

Large-area two-dimensional (2D) materials grown by chemical vapor deposition need to be transferred onto a target substrate for real applications. Poly(methyl methacrylate) as a supporting layer is widely used during the transfer process and removed after finishing it. However, it is a challenge to diminish the polymer layer completely. It is necessary to readily characterize the polymer residues on 2D materials to facilitate the removal process. Here, we report a method that characterizes the polymer residues on 2D materials by tracking the presence of G-band of amorphous carbons (a-Cs) in the Raman spectrum after forming carbonized a-Cs through thermal annealing. The 13C-graphene is employed to separate the Raman signal G-band between 12C-a-Cs and 13C-graphene in the Raman spectrum. The residence of the polymer residues is clearly confirmed by the different Raman signals of two different isotopes (12C and 13C) due to differences in mass. Our effective method recognizes that while the polymer residue is not easily removed on graphene, those on hexagonal boron nitride and molybdenum disulfide are almost diminished under optimum thermal annealing conditions. Our method will not only contribute to the development of a new transfer process, but also help to achieve a clean surface of 2D materials.

Deterministic Coupling of Quantum Emitters in 2D Materials to Plasmonic Nanocavity Arrays.

PubMed

Tran, Toan Trong; Wang, Danqing; Xu, Zai-Quan; Yang, Ankun; Toth, Milos; Odom, Teri W; Aharonovich, Igor

2017-04-12

Quantum emitters in two-dimensional materials are promising candidates for studies of light-matter interaction and next generation, integrated on-chip quantum nanophotonics. However, the realization of integrated nanophotonic systems requires the coupling of emitters to optical cavities and resonators. In this work, we demonstrate hybrid systems in which quantum emitters in 2D hexagonal boron nitride (hBN) are deterministically coupled to high-quality plasmonic nanocavity arrays. The plasmonic nanoparticle arrays offer a high-quality, low-loss cavity in the same spectral range as the quantum emitters in hBN. The coupled emitters exhibit enhanced emission rates and reduced fluorescence lifetimes, consistent with Purcell enhancement in the weak coupling regime. Our results provide the foundation for a versatile approach for achieving scalable, integrated hybrid systems based on low-loss plasmonic nanoparticle arrays and 2D materials.

Engineering of hydrogenated two-dimensional h-BN/C superlattices as electrostatic substrates.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Zhun; Zhong, Xiaoliang; Yan, Hui

2016-01-14

Hybridized two-dimensional materials incorporating domains from the hexagonal boron nitride (h-BN) and graphene is an interesting branch of materials science due to their highly tunable electronic properties. In the present study, we investigate the hydrogenated two-dimensional (2D) h-BN/C superlattices (SLs) with zigzag edges using first-principles calculations. We found that the domain width, the phase ratio, and the vertical dipole orientation all have significant influence on the stability of SLs. The electronic reconstruction is associated with the lateral polar discontinuities at the zigzag edges and the vertically polarized (B2N2H4)(m) domains, which modifies the electronic structures and the spatial potential of themore » SLs significantly. Furthermore, we demonstrate that the hydrogenated 2D h-BN/C SLs can be applied in engineering the electronic structure of graphene: laterally-varying doping can be achieved by taking advantage of the spatial variation of the surface potential of the SLs. By applying an external vertical electric field on these novel bidirectional heterostructures, graphene doping levels and band offsets can be tuned to a wide range, such that the graphene doping profile can be switched from the bipolar (p-n junction) to unipolar (n(+)-n junction) mode. It is expected that such bidirectional heterostructures provide an effective approach for developing novel nanoscale electronic devices and improving our understanding of the fundamentals of low-dimensional materials.« less

Ultrathin, wafer-scale hexagonal boron nitride on dielectric surfaces by diffusion and segregation mechanism

NASA Astrophysics Data System (ADS)

Sonde, Sushant; Dolocan, Andrei; Lu, Ning; Corbet, Chris; Kim, Moon J.; Tutuc, Emanuel; Banerjee, Sanjay K.; Colombo, Luigi

2017-06-01

Chemical vapor deposition (CVD) of two-dimensional (2D) hexagonal boron nitride (h-BN) is at the center of numerous studies for its applications in novel electronic devices. However, a clear understanding of the growth mechanism is lacking for its wider industrial adoption on technologically relevant substrates such as SiO2. Here, we demonstrate a controllable growth method of thin, wafer scale h-BN films on arbitrary substrates. We also clarify the growth mechanism to be diffusion and surface segregation (D-SS) of boron (B) and nitrogen (N) in Ni and Co thin films on SiO2/Si substrates after exposure to diborane and ammonia precursors at high temperature. The segregation was found to be independent of the cooling rates employed in this report, and to our knowledge has not been found nor reported for 2D h-BN growth so far, and thus provides an important direction for controlled growth of h-BN. This unique segregation behavior is a result of a combined effect of high diffusivity, small film thickness and the inability to achieve extremely high cooling rates in CVD systems. The resulting D-SS h-BN films exhibit excellent electrical insulating behavior with an optical bandgap of about 5.8 eV. Moreover, graphene-on-h-BN field effect transistors using the as-grown D-SS h-BN films show a mobility of about 6000 cm2 V-1 s-1 at room temperature.

Determination of Carrier Polarity in Fowler-Nordheim Tunneling and Evidence of Fermi Level Pinning at the Hexagonal Boron Nitride/Metal Interface.

PubMed

Hattori, Yoshiaki; Taniguchi, Takashi; Watanabe, Kenji; Nagashio, Kosuke

2018-04-11

Hexagonal boron nitride (h-BN) is an important insulating substrate for two-dimensional (2D) heterostructure devices and possesses high dielectric strength comparable to SiO 2 . Here, we report two clear differences in their physical properties. The first one is the occurrence of Fermi level pinning at the metal/h-BN interface, unlike that at the metal/SiO 2 interface. The second one is that the carrier of Fowler-Nordheim (F-N) tunneling through h-BN is a hole, which is opposite to an electron in the case of SiO 2 . These unique characteristics are verified by I- V measurements in the graphene/h-BN/metal heterostructure device with the aid of a numerical simulation, where the barrier height of graphene can be modulated by a back gate voltage owing to its low density of states. Furthermore, from a systematic investigation using a variety of metals, it is confirmed that the hole F-N tunneling current is a general characteristic because the Fermi levels of metals are pinned in the small energy range around ∼3.5 eV from the top of the conduction band of h-BN, with a pinning factor of 0.30. The accurate energy band alignment at the h-BN/metal interface provides practical knowledge for 2D heterostructure devices.

Peculiar Piezoelectricity in Two-Dimensional Materials

NASA Astrophysics Data System (ADS)

Sevik, Cem; Cakir, Deniz; Gulseren, Oguz; Peeters, Francois M.

Recently, two dimensional materials with noncentrosymmetric structure have received significant interest due to their potential usage in piezoelectric applications. It has been reported by first principles calculations that relaxed-ion piezoelectric strain (d11) and stress (e11) coefficients of some transition metal dichalcogenide (TMDC) monolayers are comparable or even better than that of conventional bulk piezoelectric materials. Furthermore, e11 coefficient of MoS2 has been measured as 2.9 .10-10 C/m, which agrees well with the theoretical calculations. In order to deeply investigate this potential, we have performed first-principles calculations and systematically investigated the piezoelectric properties of various single layer structures: TMDCs, transition metal oxides, and hexagonal group II-VI compounds. The results clearly show that not only the Mo- and W-based TMDCs but also the other materials with Cr, Ti, Zr and Sn exhibit highly promising piezoelectric properties. Moreover, d11coefficient of some II-VI compounds have been predicted as quite larger than that of TMDCs and the bulk materials, α-quartz, w-GaN, and w-AlN which are widely used in applications.

Single-layer graphdiyne-covered Pt(111) surface: improved catalysis confined under two-dimensional overlayer

NASA Astrophysics Data System (ADS)

Chen, Xi; Lin, Zheng-Zhe

2018-05-01

In recent years, two-dimensional confined catalysis, i.e., the enhanced catalytic reactions in confined space between metal surface and two-dimensional overlayer, makes a hit and opens up a new way to enhance the performance of catalysts. In this work, graphdiyne overlayer was proposed as a more excellent material than graphene or hexagonal boron nitride for two-dimensional confined catalysis on Pt(111) surface. Density functional theory calculations revealed the superiority of graphdiyne overlayer originates from the steric hindrance effect which increases the catalytic ability and lowers the reaction barriers. Moreover, with the big triangle holes as natural gas tunnels, graphdiyne possesses higher efficiency for the transit of gaseous reactants and products than graphene or hexagonal boron nitride. The results in this work would benefit future development of two-dimensional confined catalysis. [Figure not available: see fulltext.

Hybrid MoS2/h-BN Nanofillers As Synergic Heat Dissipation and Reinforcement Additives in Epoxy Nanocomposites.

PubMed

Ribeiro, Hélio; Trigueiro, João Paulo C; Silva, Wellington M; Woellner, Cristiano F; Owuor, Peter S; Cristian Chipara, Alin; Lopes, Magnovaldo C; Tiwary, Chandra S; Pedrotti, Jairo J; Villegas Salvatierra, Rodrigo; Tour, James M; Chopra, Nitin; Odeh, Ihab N; Silva, Glaura G; Ajayan, Pulickel M

2017-09-26

Two-dimensional (2D) nanomaterials as molybdenum disulfide (MoS 2 ), hexagonal boron nitride (h-BN), and their hybrid (MoS 2 /h-BN) were employed as fillers to improve the physical properties of epoxy composites. Nanocomposites were produced in different concentrations and studied in their microstructure, mechanical and thermal properties. The hybrid 2D mixture imparted efficient reinforcement to the epoxy leading to increases of up to 95% in tensile strength, 60% in ultimate strain, and 58% in Young's modulus. Moreover, an enhancement of 203% in thermal conductivity was achieved for the hybrid composite as compared to the pure polymer. The incorporation of MoS 2 /h-BN mixture nanofillers in epoxy resulted in nanocomposites with multifunctional characteristics for applications that require high mechanical and thermal performance.

Energy and charge transfer effects in two-dimensional van der Waals hybrid nanostructures on periodic gold nanopost array

NASA Astrophysics Data System (ADS)

Kim, Jun Young; Kim, Sun Gyu; Youn, Jong Won; Lee, Yongjun; Kim, Jeongyong; Joo, Jinsoo

2018-05-01

Two-dimensional (2D) semiconducting MoS2 and WSe2 flakes grown by chemical vapor deposition were mechanically hybridized. A hexagonal boron nitride (h-BN) dielectric flake was inserted between MoS2 and WSe2 flakes to investigate the nanoscale optical properties of 2D van der Waals hybrid nanostructures. The fabricated MoS2/WSe2 and MoS2/h-BN/WSe2 van der Waals hybrid nanostructures were loaded on a periodic gold nanopost (Au-NPo) array to study energy and charge transfer effects at the surface plasmon resonance (SPR) condition. Nanoscale photoluminescence (PL) spectra of the 2D hybrid nanostructures were measured using a high-resolution laser confocal microscope (LCM). A shift of the LCM PL peak of the MoS2/WSe2 n-p hybrid nanostructures was observed owing to the charge transfer. In contrast, the shift of the LCM PL peak of the MoS2/h-BN/WSe2 n-insulator-p hybrid nanostructure was not considerable, as the inserted h-BN dielectric layer prevented the charge transfer. The intensity of the LCM PL peak of the MoS2/h-BN/WSe2 hybrid nanostructure considerably increased once the nanostructure was loaded on the Au-NPo array, owing to the energy transfer between the 2D materials and the Au-NPo array at the SPR condition, which was confirmed by the increase in the LCM Raman intensity.

van der Waals epitaxy of CdTe thin film on graphene

NASA Astrophysics Data System (ADS)

Mohanty, Dibyajyoti; Xie, Weiyu; Wang, Yiping; Lu, Zonghuan; Shi, Jian; Zhang, Shengbai; Wang, Gwo-Ching; Lu, Toh-Ming; Bhat, Ishwara B.

2016-10-01

van der Waals epitaxy (vdWE) facilitates the epitaxial growth of materials having a large lattice mismatch with the substrate. Although vdWE of two-dimensional (2D) materials on 2D materials have been extensively studied, the vdWE for three-dimensional (3D) materials on 2D substrates remains a challenge. It is perceived that a 2D substrate passes little information to dictate the 3D growth. In this article, we demonstrated the vdWE growth of the CdTe(111) thin film on a graphene buffered SiO2/Si substrate using metalorganic chemical vapor deposition technique, despite a 46% large lattice mismatch between CdTe and graphene and a symmetry change from cubic to hexagonal. Our CdTe films produce a very narrow X-ray rocking curve, and the X-ray pole figure analysis showed 12 CdTe (111) peaks at a chi angle of 70°. This was attributed to two sets of parallel epitaxy of CdTe on graphene with a 30° relative orientation giving rise to a 12-fold symmetry in the pole figure. First-principles calculations reveal that, despite the relatively small energy differences, the graphene buffer layer does pass epitaxial information to CdTe as the parallel epitaxy, obtained in the experiment, is energetically favored. The work paves a way for the growth of high quality CdTe film on a large area as well as on the amorphous substrates.

Multilayer DNA origami packed on hexagonal and hybrid lattices.

PubMed

Ke, Yonggang; Voigt, Niels V; Gothelf, Kurt V; Shih, William M

2012-01-25

"Scaffolded DNA origami" has been proven to be a powerful and efficient approach to construct two-dimensional or three-dimensional objects with great complexity. Multilayer DNA origami has been demonstrated with helices packing along either honeycomb-lattice geometry or square-lattice geometry. Here we report successful folding of multilayer DNA origami with helices arranged on a close-packed hexagonal lattice. This arrangement yields a higher density of helical packing and therefore higher resolution of spatial addressing than has been shown previously. We also demonstrate hybrid multilayer DNA origami with honeycomb-lattice, square-lattice, and hexagonal-lattice packing of helices all in one design. The availability of hexagonal close-packing of helices extends our ability to build complex structures using DNA nanotechnology. © 2011 American Chemical Society

Rich structural chemistry in new alkali metal yttrium tellurites: three-dimensional frameworks of NaYTe4O10, KY(TeO3)2, RbY(TeO3)2, and a novel variant of hexagonal tungsten bronze, CsYTe3O8.

PubMed

Kim, Youngkwon; Lee, Dong Woo; Ok, Kang Min

2015-01-05

Pure polycrystalline phases and single crystals of four new quaternary alkali metal yttrium tellurites, NaYTe4O10, KY(TeO3)2, RbY(TeO3)2, and CsYTe3O8, have been prepared by solid-state and hydrothermal reactions using A2CO3 (A = Na, K, Rb, and Cs), Y(NO3)3·6H2O, Y2O3, and TeO2 as starting reagents. X-ray diffraction analyses suggest that NaYTe4O10 exhibits a highly symmetric three-dimensional (3D) framework consisting of YO8 square antiprisms and chains of TeO4 polyhedra. Within the framework, six- (6-) and eight-membered ring (8-MR) channels are observed. KY(TeO3)2 and RbY(TeO3)2 are isostructural to each other and reveal another 3D framework with structures containing YO6 octahedra and TeO3 trigonal pyramids with 4-MR and 12-MR channels. CsYTe3O8 shows a hexagonal tungsten bronze (HTB)-like topology composed of hexagonal tungsten oxide-like layers of TeO4 polyhedra and YO6 octahedral linkers with 3-MR and 6-MR channels. Thermal analyses, elemental analyses, and spectroscopic characterizations, such as UV-vis diffuse reflectance and infrared spectra, are presented, as are local dipole moment calculations for the constituent asymmetric polyhedra TeO3 and TeO4.

Electronic Structure of Two-Dimensional Hydrocarbon Networks of sp2 and sp3 C Atoms

NASA Astrophysics Data System (ADS)

Fujii, Yasumaru; Maruyama, Mina; Wakabayashi, Katsunori; Nakada, Kyoko; Okada, Susumu

2018-03-01

Based on density functional theory with the generalized gradient approximation, we have investigated the geometric and electronic structures of two-dimensional hexagonal covalent networks consisting of oligoacenes and fourfold coordinated hydrocarbon atoms, which are alternately arranged in a hexagonal manner. All networks were semiconductors with a finite energy gap at the Γ point, which monotonically decreased with the increase of the oligoacene length. As a result of a Kagome network of oligoacene connected through sp3 C atoms, the networks possess peculiar electron states in their valence and conduction bands, which consist of a flat dispersion band and a Dirac cone. The total energy of the networks depends on the oligoacene length and has a minimum for the network comprising naphthalene.

All 2D, high mobility, flexible, transparent thin film transistor

DOEpatents

Das, Saptarshi; Sumant, Anirudha V.; Roelofs, Andreas

2017-01-17

A two-dimensional thin film transistor and a method for manufacturing a two-dimensional thin film transistor includes layering a semiconducting channel material on a substrate, providing a first electrode material on top of the semiconducting channel material, patterning a source metal electrode and a drain metal electrode at opposite ends of the semiconducting channel material from the first electrode material, opening a window between the source metal electrode and the drain metal electrode, removing the first electrode material from the window located above the semiconducting channel material providing a gate dielectric above the semiconducting channel material, and providing a top gate above the gate dielectric, the top gate formed from a second electrode material. The semiconducting channel material is made of tungsten diselenide, the first electrode material and the second electrode material are made of graphene, and the gate dielectric is made of hexagonal boron nitride.

Etched distributed Bragg reflectors as three-dimensional photonic crystals: photonic bands and density of states.

PubMed

Pavarini, E; Andreani, L C

2002-09-01

The photonic band dispersion and density of states (DOS) are calculated for the three-dimensional (3D) hexagonal structure corresponding to a distributed Bragg reflector patterned with a 2D triangular lattice of circular holes. Results for the Si/SiO(2) and GaAs/Al(x)Ga(1-x)As systems determine the optimal parameters for which a gap in the 2D plane occurs and overlaps the 1D gap of the multilayer. The DOS is considerably reduced in correspondence with the overlap of 2D and 1D gaps. Also, the local density of states (i.e., the DOS weighted with the squared electric field at a given point) has strong variations depending on the position. Both results imply substantial changes of spontaneous emission rates and patterns for a local emitter embedded in the structure and make this system attractive for the fabrication of a 3D photonic crystal with controlled radiative properties.

Evidence of an inverted hexagonal phase in self-assembled phospholipid-DNA-metal complexes

NASA Astrophysics Data System (ADS)

Francescangeli, O.; Pisani, M.; Stanic, V.; Bruni, P.; Weiss, T. M.

2004-08-01

We report the first observation of an inverted hexagonal phase of phospholipid-DNA-metal complexes. These ternary complexes are formed in a self-assembled manner when water solutions of neutral lipid dioleoylphosphatidylethanolamine (DOPE), DNA and divalent metal cations (Me2+; Me=Fe, Co, Mg, Mn) are mixed, which represents a striking example of supramolecular chemistry. The structure, derived from synchrotron X-ray diffraction, consists of cylindrical DNA strands coated by neutral lipid monolayers and arranged on a two-dimensional hexagonal lattice (HIIc). Besides the fundamental aspects, DOPE-DNA-Me2+ complexes may be of great interest as efficient nonviral delivery systems in gene therapy applications because of the low inherent cytotoxicity and the potential high transfection efficiency.

Applying machine learning methods for characterization of hexagonal prisms from their 2D scattering patterns - an investigation using modelled scattering data

NASA Astrophysics Data System (ADS)

Salawu, Emmanuel Oluwatobi; Hesse, Evelyn; Stopford, Chris; Davey, Neil; Sun, Yi

2017-11-01

Better understanding and characterization of cloud particles, whose properties and distributions affect climate and weather, are essential for the understanding of present climate and climate change. Since imaging cloud probes have limitations of optical resolution, especially for small particles (with diameter < 25 μm), instruments like the Small Ice Detector (SID) probes, which capture high-resolution spatial light scattering patterns from individual particles down to 1 μm in size, have been developed. In this work, we have proposed a method using Machine Learning techniques to estimate simulated particles' orientation-averaged projected sizes (PAD) and aspect ratio from their 2D scattering patterns. The two-dimensional light scattering patterns (2DLSP) of hexagonal prisms are computed using the Ray Tracing with Diffraction on Facets (RTDF) model. The 2DLSP cover the same angular range as the SID probes. We generated 2DLSP for 162 hexagonal prisms at 133 orientations for each. In a first step, the 2DLSP were transformed into rotation-invariant Zernike moments (ZMs), which are particularly suitable for analyses of pattern symmetry. Then we used ZMs, summed intensities, and root mean square contrast as inputs to the advanced Machine Learning methods. We created one random forests classifier for predicting prism orientation, 133 orientation-specific (OS) support vector classification models for predicting the prism aspect-ratios, 133 OS support vector regression models for estimating prism sizes, and another 133 OS Support Vector Regression (SVR) models for estimating the size PADs. We have achieved a high accuracy of 0.99 in predicting prism aspect ratios, and a low value of normalized mean square error of 0.004 for estimating the particle's size and size PADs.

Defect mediated van der Waals epitaxy of hexagonal boron nitride on graphene

NASA Astrophysics Data System (ADS)

Heilmann, M.; Bashouti, M.; Riechert, H.; Lopes, J. M. J.

2018-04-01

Van der Waals heterostructures comprising of hexagonal boron nitride and graphene are promising building blocks for novel two-dimensional devices such as atomically thin transistors or capacitors. However, demonstrators of those devices have been so far mostly fabricated by mechanical assembly, a non-scalable and time-consuming method, where transfer processes can contaminate the surfaces. Here, we investigate a direct growth process for the fabrication of insulating hexagonal boron nitride on high quality epitaxial graphene using plasma assisted molecular beam epitaxy. Samples were grown at varying temperatures and times and studied using atomic force microscopy, revealing a growth process limited by desorption at high temperatures. Nucleation was mostly commencing from morphological defects in epitaxial graphene, such as step edges or wrinkles. Raman spectroscopy combined with x-ray photoelectron measurements confirm the formation of hexagonal boron nitride and prove the resilience of graphene against the nitrogen plasma used during the growth process. The electrical properties and defects in the heterostructures were studied with high lateral resolution by tunneling current and Kelvin probe force measurements. This correlated approach revealed a nucleation apart from morphological defects in epitaxial graphene, which is mediated by point defects. The presented results help understanding the nucleation and growth behavior during van der Waals epitaxy of 2D materials, and point out a route for a scalable production of van der Waals heterostructures.

Multidirection Piezoelectricity in Mono- and Multilayered Hexagonal α-In2Se3.

PubMed

Xue, Fei; Zhang, Junwei; Hu, Weijin; Hsu, Wei-Ting; Han, Ali; Leung, Siu-Fung; Huang, Jing-Kai; Wan, Yi; Liu, Shuhai; Zhang, Junli; He, Jr-Hau; Chang, Wen-Hao; Wang, Zhong Lin; Zhang, Xixiang; Li, Lain-Jong

2018-05-22

Piezoelectric materials have been widely used for sensors, actuators, electronics, and energy conversion. Two-dimensional (2D) ultrathin semiconductors, such as monolayer h-BN and MoS 2 with their atom-level geometry, are currently emerging as new and attractive members of the piezoelectric family. However, their piezoelectric polarization is commonly limited to the in-plane direction of odd-number ultrathin layers, largely restricting their application in integrated nanoelectromechanical systems. Recently, theoretical calculations have predicted the existence of out-of-plane and in-plane piezoelectricity in monolayer α-In 2 Se 3 . Here, we experimentally report the coexistence of out-of-plane and in-plane piezoelectricity in monolayer to bulk α-In 2 Se 3 , attributed to their noncentrosymmetry originating from the hexagonal stacking. Specifically, the corresponding d 33 piezoelectric coefficient of α-In 2 Se 3 increases from 0.34 pm/V (monolayer) to 5.6 pm/V (bulk) without any odd-even effect. In addition, we also demonstrate a type of α-In 2 Se 3 -based flexible piezoelectric nanogenerator as an energy-harvesting cell and electronic skin. The out-of-plane and in-plane piezoelectricity in α-In 2 Se 3 flakes offers an opportunity to enable both directional and nondirectional piezoelectric devices to be applicable for self-powered systems and adaptive and strain-tunable electronics/optoelectronics.

Liquid Crystalline Assembly of Coil-Rod-Coil Molecules with Lateral Methyl Groups into 3-D Hexagonal and Tetragonal Assemblies

PubMed Central

Wang, Zhuoshi; Lan, Yu; Zhong, Keli; Liang, Yongri; Chen, Tie; Jin, Long Yi

2014-01-01

In this paper, we report the synthesis and self-assembly behavior of coil-rod-coil molecules, consisting of three biphenyls linked through a vinylene unit as a conjugated rod segment and poly(ethylene oxide) (PEO) with a degree of polymerization (DP) of 7, 12 and 17, incorporating lateral methyl groups between the rod and coil segments as the coil segment. Self-organized investigation of these molecules by means of differential scanning calorimetry (DSC), thermal polarized optical microscopy (POM) and X-ray diffraction (XRD) reveals that the lateral methyl groups attached to the surface of rod and coil segments, dramatically influence the self-assembling behavior in the liquid-crystalline mesophase. Molecule 1 with a relatively short PEO coil length (DP = 7) self-assembles into rectangular and oblique 2-dimensional columnar assemblies, whereas molecules 2 and 3 with DP of 12 and 17 respectively, spontaneously self-organize into unusual 3-dimensional hexagonal close-packed or body-centered tetragonal assemblies. PMID:24699045

Thermodynamics of dilute 3He-4He solid solutions with hcp structure

NASA Astrophysics Data System (ADS)

Chishko, K. A.

2018-02-01

To interpret the anomalies in heat capacity CV(T) and temperature-dependent pressure P(T) of solid hexagonal close-packed (hcp) 4He we exploit the model of hcp crystalline polytype with specific lattice degrees of freedom and describe the thermodynamics of impurity-free 4He solid as superposition of phononic and polytypic contributions. The hcp-based polytype is a stack of 2D basal atomic monolayers on triangular lattice packed with arbitrary long (up to infinity) spatial period along the hexagonal c axis perpendicular to the basal planes. It is a crystal with perfect ordering along the layers, but without microscopic translational symmetry in perpendicular direction (which remains, nevertheless, the rotational crystallographic axis of third order, so that the polytype can be considered as semidisordered system). Each atom of the hcp polytype has twelve crystallographic neighbors in both first and second coordination spheres at any arbitrary packing order. It is shown that the crystal of such structure behaves as anisotropic elastic medium with specific dispersion law of phonon excitations along c axis. The free energy and the heat capacity consist of two terms: one of them is a normal contribution [with CV(T) ˜ T3] from phonon excitations in an anisotropic lattice of hexagonal symmetry, and another term (an "excessive" heat) is a contribution resulted by packing entropy from quasi-one-dimensional system of 2D basal planes on triangular lattice stacked randomly along c axis without braking the closest pack between neighboring atomic layers. The excessive part of the free energy has been treated within 1D quasi-Ising (lattice gas) model using the transfer matrix approach. This model makes us possible to interpret successfully the thermodynamic anomaly (heat capacity peak in hcp 4He) observed experimentally.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Yingjie, E-mail: yzx@ansto.gov.au; Karatchevtseva, Inna; Bhadbhade, Mohan

With the coordination of dimethylformamide (DMF), two new uranium(VI) complexes with either 4-hydroxybenzoic acid (H{sub 2}phb) or terephthalic acid (H{sub 2}tph) have been synthesized under solvothermal conditions and structurally characterized. [(UO{sub 2}){sub 2}(Hphb){sub 2}(phb)(DMF)(H{sub 2}O){sub 3}]·4H{sub 2}O (1) has a dinuclear structure constructed with both pentagonal and hexagonal bipyramidal uranium polyhedra linked through a µ{sub 2}-bridging ligand via both chelating carboxylate arm and alcohol oxygen bonding, first observation of such a coordination mode of 4-hydroxybenzoate for 5 f ions. [(UO{sub 2})(tph)(DMF)] (2) has a three-dimensional (3D) framework built with pentagonal bipyramidal uranium polyhedra linked with µ{sub 4}-terephthalate ligands. The 3Dmore » channeled structure is facilitated by the unique carboxylate bonding with nearly linear C–O–U angles and the coordination of DMF molecules. The presence of phb ligands in different coordination modes, uranyl ions in diverse environments and DMF in complex 1, and tph ligand, DMF and uranyl ion in complex 2 has been confirmed by Raman spectroscopy. In addition, their thermal stability and photoluminescence properties have been investigated. - Graphical abstract: With the coordination of dimethylformamide, two new uranyl complexes with either 4-hydroxybenzoate or terephthalate have been synthesized under solvothermal conditions and structurally characterized. - Highlights: • Solvent facilitates the synthesis of two new uranium(VI) complexes. • A dinuclear complex with both penta- and hexagonal bipyramidal uranium polyhedral. • A unique µ{sub 2}-bridging mode of 4-hydroxybenzoate via alcohol oxygen for 5 f ions. • A 3D framework with uranium polyhedra and µ{sub 4}-terephthalate ligands. • Vibration modes and photoluminescence properties are reported.« less

Strong and weak second-order topological insulators with hexagonal symmetry and ℤ3 index

NASA Astrophysics Data System (ADS)

Ezawa, Motohiko

2018-06-01

We propose second-order topological insulators (SOTIs) whose lattice structure has a hexagonal symmetry C6. We start with a three-dimensional weak topological insulator constructed on a stacked triangular lattice, which has only side topological surface states. We then introduce an additional mass term which gaps out the side surface states but preserves the hinge states. The resultant system is a three-dimensional SOTI. The bulk topological quantum number is shown to be the Z3 index protected by inversion time-reversal symmetry I T and rotoinversion symmetry I C6 . We obtain three phases: trivial, strong, and weak SOTI phases. We argue the origin of these two types of SOTIs. A hexagonal prism is a typical structure respecting these symmetries, where six topological hinge states emerge at the side. The building block is a hexagon in two dimensions, where topological corner states emerge at the six corners in the SOTI phase. Strong and weak SOTIs are obtained when the interlayer hopping interaction is strong and weak, respectively.

Enhanced doping effect on tuning structural phases of monolayer antimony

NASA Astrophysics Data System (ADS)

Wang, Jizhang; Yang, Teng; Zhang, Zhidong; Yang, Li

2018-05-01

Doping is capable to control the atomistic structure, electronic structure, and even to dynamically realize a semiconductor-metal transition in two-dimensional (2D) transition metal dichalcogenides (TMDs). However, the high critical doping density (˜1014 electron/cm2), compound nature, and relatively low carrier mobility of TMDs limits broader applications. Using first-principles calculations, we predict that, via a small transition potential, a substantially lower hole doping density (˜6 × 1012 hole/cm2) can switch the ground-state structure of monolayer antimony from the hexagonal β-phase, a 2D semiconductor with excellent transport performance and air stability but an indirect bandgap, to the orthorhombic α phase with a direct bandgap and potentially better carrier mobility. We further show that this structural engineering can be achieved by the established electrostatic doping, surface functional adsorption, or directly using graphene substrate. This gives hope to dynamically tuning and large-scale production of 2D single-element semiconductors that simultaneously exhibit remarkable transport and optical performance.

Hot-Chemistry Structural Phase Transformation in Single-Crystal Chalcogenides for Long-Life Lithium Ion Batteries.

PubMed

Hassan, Fathy M; Hu, Qianqian; Fu, Jing; Batmaz, Rasim; Li, Jingde; Yu, Aiping; Xiao, Xingcheng; Chen, Zhongwei

2017-06-21

Tuned chalcogenide single crystals rooted in sulfur-doped graphene were prepared by high-temperature solution chemistry. We present a facile route to synthesize a rod-on-sheet-like nanohybrid as an active anode material and demonstrate its superior performance in lithium ion batteries (LIBs). This nanohybrid contains a nanoassembly of one-dimensional (1D) single-crystalline, orthorhombic SnS onto two-dimensional (2D) sulfur-doped graphene. The 1D nanoscaled SnS with the rodlike single-crystalline structure possesses improved transport properties compared to its 2D hexagonal platelike SnS 2 . Furthermore, we blend this hybrid chalcogenide with biodegradable polymer composite using water as a solvent. Upon drying, the electrodes were subjected to heating in vacuum at 150 °C to induce polymer condensation via formation of carboxylate groups to produce a mechanically robust anode. The LIB using the as-developed anode material can deliver a high volumetric capacity of ∼2350 mA h cm -3 and exhibit superior cycle stability over 1500 cycles as well as a high capacity retention of 85% at a 1 C rate. The excellent battery performance combined with the simplistic, scalable, and green chemistry approach renders this anode material as a very promising candidate for LIB applications.

Hexagonal boron nitride nanomechanical resonators with spatially visualized motion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zheng, Xu-Qian; Lee, Jaesung; Feng, Philip X. -L.

Atomic layers of hexagonal boron nitride (h-BN) crystal are excellent candidates for structural materials as enabling ultrathin, two-dimensional (2D) nanoelectromechanical systems (NEMS) due to the outstanding mechanical properties and very wide bandgap (5.9 eV) of h-BN. In this work, we report the experimental demonstration of h-BN 2D nanomechanical resonators vibrating at high and very high frequencies (from ~ 5 to ~ 70 MHz), and investigations of the elastic properties of h-BN by measuring the multimode resonant behavior of these devices. First, we demonstrate a dry-transferred doubly clamped h-BN membrane with ~ 6.7 nm thickness, the thinnest h-BN resonator known tomore » date. In addition, we fabricate circular drumhead h-BN resonators with thicknesses ranging from ~ 9 to 292 nm, from which we measure up to eight resonance modes in the range of ~ 18 to 35 MHz. Combining measurements and modeling of the rich multimode resonances, we resolve h-BN’s elastic behavior, including the transition from membrane to disk regime, with built-in tension ranging from 0.02 to 2 N m -1. The Young’s modulus of h-BN is determined to be EY≈392 GPa from the measured resonances. The ultrasensitive measurements further reveal subtle structural characteristics and mechanical properties of the suspended h-BN diaphragms, including anisotropic built-in tension and bulging, thus suggesting guidelines on how these effects can be exploited for engineering multimode resonant functions in 2D NEMS transducers.« less

Hexagonal boron nitride nanomechanical resonators with spatially visualized motion

DOE PAGES

Zheng, Xu-Qian; Lee, Jaesung; Feng, Philip X. -L.

2017-07-31

Atomic layers of hexagonal boron nitride (h-BN) crystal are excellent candidates for structural materials as enabling ultrathin, two-dimensional (2D) nanoelectromechanical systems (NEMS) due to the outstanding mechanical properties and very wide bandgap (5.9 eV) of h-BN. In this work, we report the experimental demonstration of h-BN 2D nanomechanical resonators vibrating at high and very high frequencies (from ~ 5 to ~ 70 MHz), and investigations of the elastic properties of h-BN by measuring the multimode resonant behavior of these devices. First, we demonstrate a dry-transferred doubly clamped h-BN membrane with ~ 6.7 nm thickness, the thinnest h-BN resonator known tomore » date. In addition, we fabricate circular drumhead h-BN resonators with thicknesses ranging from ~ 9 to 292 nm, from which we measure up to eight resonance modes in the range of ~ 18 to 35 MHz. Combining measurements and modeling of the rich multimode resonances, we resolve h-BN’s elastic behavior, including the transition from membrane to disk regime, with built-in tension ranging from 0.02 to 2 N m -1. The Young’s modulus of h-BN is determined to be EY≈392 GPa from the measured resonances. The ultrasensitive measurements further reveal subtle structural characteristics and mechanical properties of the suspended h-BN diaphragms, including anisotropic built-in tension and bulging, thus suggesting guidelines on how these effects can be exploited for engineering multimode resonant functions in 2D NEMS transducers.« less

Ag-NP@Ge-nanotaper/Si-micropillar ordered arrays as ultrasensitive and uniform surface enhanced Raman scattering substrates.

PubMed

Liu, Jing; Meng, Guowen; Li, Zhongbo; Huang, Zhulin; Li, Xiangdong

2015-11-21

Surface-enhanced Raman scattering (SERS) is considered to be an excellent candidate for analytical detection schemes, because of its molecular specificity, rapid response and high sensitivity. Here, SERS-substrates of Ag-nanoparticle (Ag-NP) decorated Ge-nanotapers grafted on hexagonally ordered Si-micropillar (denoted as Ag-NP@Ge-nanotaper/Si-micropillar) arrays are fabricated via a combinatorial process of two-step etching to achieve hexagonal Si-micropillar arrays, chemical vapor deposition of flocky Ge-nanotapers on each Si-micropillar and decoration of Ag-NPs onto the Ge-nanotapers through galvanic displacement. With high density three-dimensional (3D) "hot spots" created from the large quantities of the neighboring Ag-NPs and large-scale uniform morphology, the hierarchical Ag-NP@Ge-nanotaper/Si-micropillar arrays exhibit strong and reproducible SERS activity. Using our hierarchical 3D SERS-substrates, both methyl parathion (a commonly used pesticide) and PCB-2 (one congener of highly toxic polychlorinated biphenyls) with concentrations down to 10(-7) M and 10(-5) M have been detected respectively, showing great potential in SERS-based rapid trace-level detection of toxic organic pollutants in the environment.

On the buckling of hexagonal boron nitride nanoribbons via structural mechanics

NASA Astrophysics Data System (ADS)

Giannopoulos, Georgios I.

2018-03-01

Monolayer hexagonal boron nitride nanoribbons have similar crystal structure as graphene nanoribbons, have excellent mechanical, thermal insulating and dielectric properties and additionally present chemical stability. These allotropes of boron nitride can be used in novel applications, in which graphene is not compatible, to achieve remarkable performance. The purpose of the present work is to provide theoretical estimations regarding the buckling response of hexagonal boron nitride monolayer under compressive axial loadings. For this reason, a structural mechanics method is formulated which employs the exact equilibrium atomistic structure of the specific two-dimensional nanomaterial. In order to represent the interatomic interactions appearing between boron and nitrogen atoms, the Dreiding potential model is adopted which is realized by the use of three-dimensional, two-noded, spring-like finite elements of appropriate stiffness matrices. The critical compressive loads that cause the buckling of hexagonal boron nitride nanoribbons are computed with respect to their size and chirality while some indicative buckled shapes of them are illustrated. Important conclusions arise regarding the effect of the size and chirality on the structural stability of the hexagonal boron nitride monolayers. An analytical buckling formula, which provides good fitting of the numerical outcome, is proposed.

A Multi-Dimensional Heat Transfer Model of a Tie-Tube and Hexagonal Fuel Element for Nuclear Thermal Propulsion

NASA Technical Reports Server (NTRS)

Gomez, C. F.; Mireles, O. R.; Stewart, E.

2016-01-01

The Space Capable Cryogenic Thermal Engine (SCCTE) effort considers a nuclear thermal rocket design based around a Low-Enriched Uranium (LEU) design fission reactor. The reactor core is comprised of bundled hexagonal fuel elements that directly heat hydrogen for expansion in a thrust chamber and hexagonal tie-tubes that house zirconium hydride moderator mass for the purpose of thermalizing fast neutrons resulting from fission events. Created 3D steady state Hex fuel rod model with 1D flow channels. Hand Calculation were used to set up initial conditions for fluid flow. The Hex Fuel rod uses 1D flow paths to model the channels using empirical correlations for heat transfer in a pipe. Created a 2-D axisymmetric transient to steady state model using the CFD turbulent flow and Heat Transfer module in COMSOL. This model was developed to find and understand the hydrogen flow that might effect the thermal gradients axially and at the end of the tie tube where the flow turns and enters an annulus. The Hex fuel rod and Tie tube models were made based on requirements given to us by CSNR and the SCCTE team. The models helped simplify and understand the physics and assumptions. Using pipe correlations reduced the complexity of the 3-D fuel rod model and is numerically more stable and computationally more time-efficient compared to the CFD approach. The 2-D axisymmetric tie tube model can be used as a reference "Virtual test model" for comparing and improving 3-D Models.

Two-dimensional microsphere quasi-crystal: fabrication and properties

NASA Astrophysics Data System (ADS)

Noginova, Natalia E.; Venkateswarlu, Putcha; Kukhtarev, Nickolai V.; Sarkisov, Sergey S.; Noginov, Mikhail A.; Caulfield, H. John; Curley, Michael J.

1996-11-01

2D quasi-crystals were fabricated from polystyrene microspheres and characterized for their structural, diffraction, and non-linear optics properties. The quasi- crystals were produced with the method based on Langmuir- Blodgett thin film technique. Illuminating the crystal with the laser beam, we observed the diffraction pattern in the direction of the beam propagation and in the direction of the back scattering, similar to the x-ray Laue pattern observed in regular crystals with hexagonal structure. The absorption spectrum of the quasi-crystal demonstrated two series of regular maxima and minima, with the spacing inversely proportional to the microspheres diameter. Illumination of the dye-doped microspheres crystal with Q- switched radiation of Nd:YAG laser showed the enhancement of non-linear properties, in particular, second harmonic generation.

Anomalous fast dynamics of adsorbate overlayers near an incommensurate structural transition.

PubMed

Granato, Enzo; Ying, S C; Elder, K R; Ala-Nissila, T

2013-09-20

We investigate the dynamics of a compressively strained adsorbed layer on a periodic substrate via a simple two-dimensional model that admits striped and hexagonal incommensurate phases. We show that the mass transport is superfast near the striped-hexagonal phase boundary and in the hexagonal phase. For an initial step profile separating a bare substrate region (or "hole") from the rest of a striped incommensurate phase, the superfast domain wall dynamics leads to a bifurcation of the initial step profile into two interfaces or profiles propagating in opposite directions with a hexagonal phase in between. This yields a theoretical understanding of the recent experiments for the Pb/Si(111) system.

Lithium ion intercalation in thin crystals of hexagonal TaSe2 gated by a polymer electrolyte

NASA Astrophysics Data System (ADS)

Wu, Yueshen; Lian, Hailong; He, Jiaming; Liu, Jinyu; Wang, Shun; Xing, Hui; Mao, Zhiqiang; Liu, Ying

2018-01-01

Ionic liquid gating has been used to modify the properties of layered transition metal dichalcogenides (TMDCs), including two-dimensional (2D) crystals of TMDCs used extensively recently in the device work, which has led to observations of properties not seen in the bulk. The main effect comes from the electrostatic gating due to the strong electric field at the interface. In addition, ionic liquid gating also leads to ion intercalation when the ion size of the gate electrolyte is small compared to the interlayer spacing of TMDCs. However, the microscopic processes of ion intercalation have rarely been explored in layered TMDCs. Here, we employed a technique combining photolithography device fabrication and electrical transport measurements on the thin crystals of hexagonal TaSe2 using multiple channel devices gated by a polymer electrolyte LiClO4/Polyethylene oxide (PEO). The gate voltage and time dependent source-drain resistances of these thin crystals were used to obtain information on the intercalation process, the effect of ion intercalation, and the correlation between the ion occupation of allowed interstitial sites and the device characteristics. We found a gate voltage controlled modulation of the charge density waves and a scattering rate of charge carriers. Our work suggests that ion intercalation can be a useful tool for layered materials engineering and 2D crystal device design.

Nonlinear Optical Spectroscopy of Two-Dimensional Materials

NASA Astrophysics Data System (ADS)

Cui, Qiannan

Nonlinear optical properties of two-dimensional (2D) materials, such as transition metal dichalcogenides (TMDs), graphene, black phosphorus, and so on, play a key role of understanding nanoscale light-matter interactions, as well as developing nanophotonics applications from solar cells to quantum computation. With ultrafast lasers, we experimentally study nonlinear optical properties of 2D materials. Employing transient absorption microscopy, we study several members of 2D materials, such as WSe2, TiS3 and ReS2. The dynamical saturable absorption process of 2D excitons is spatiotemporally resolved. Intrinsic parameters of these 2D materials, such as exciton lifetime, exciton diffusion coefficient, and exciton mobility, are effectively measured. Especially, in-plane anisotropy of transient absorption and diffusive transport is observed for 2D excitons in monolayer ReS2, demonstrating the in-plane degree of freedom. Furthermore, with quantum interference and control nanoscopy, we all-optically inject, detect and manipulate nanoscale ballistic charge currents in a ReS2 thin film. By tuning the phase difference between one photon absorption and two photon absorption transition paths, sub-picosecond timescale of ballistic currents is coherently controlled for the first time in TMDs. In addition, the spatial resolution is two-order of magnitude smaller than optical diffraction limit. The second-order optical nonlinearity of 2D monolayers is resolved by second harmonic generation (SHG) microscopy. We measure the second-order susceptibility of monolayer MoS 2. The angular dependence of SHG in monolayer MoS2 shows strong symmetry dependence on its crystal lattice structure. Hence, second harmonic generation microscopy can serve as a powerful tool to noninvasively determine the crystalline directions of 2D monolayers. The real and imaginary parts of third-order optical nonlinearity of 2D monolayers are resolved by third harmonic generation (THG) microscopy and two-photon transient absorption microscopy, respectively. With third harmonic generation microscopy, we observe strong and anisotropic THG in monolayer and multilayer ReS2. Comparing with 2D materials with hexagonal lattice, such as MoS2, the third-order susceptibility is higher by one order of magnitude in ReS2 with a distorted 1T structure. The in-plane anisotropy of THG is attributed to the lattice distortion in ReS2 after comparing with a symmetry analysis. With two-photon transient absorption microscopy, we observe a giant two-photon absorption coefficient of monolayer WS2.

Topological Quantum Phase Transitions in Two-Dimensional Hexagonal Lattice Bilayers

NASA Astrophysics Data System (ADS)

Zhai, Xuechao; Jin, Guojun

2013-09-01

Since the successful fabrication of graphene, two-dimensional hexagonal lattice structures have become a research hotspot in condensed matter physics. In this short review, we theoretically focus on discussing the possible realization of a topological insulator (TI) phase in systems of graphene bilayer (GBL) and boron nitride bilayer (BNBL), whose band structures can be experimentally modulated by an interlayer bias voltage. Under the bias, a band gap can be opened in AB-stacked GBL but is still closed in AA-stacked GBL and significantly reduced in AA- or AB-stacked BNBL. In the presence of spin-orbit couplings (SOCs), further demonstrations indicate whether the topological quantum phase transition can be realized strongly depends on the stacking orders and symmetries of structures. It is observed that a bulk band gap can be first closed and then reopened when the Rashba SOC increases for gated AB-stacked GBL or when the intrinsic SOC increases for gated AA-stacked BNBL. This gives a distinct signal for a topological quantum phase transition, which is further characterized by a jump of the ℤ2 topological invariant. At fixed SOCs, the TI phase can be well switched by the interlayer bias and the phase boundaries are precisely determined. For AA-stacked GBL and AB-stacked BNBL, no strong TI phase exists, regardless of the strength of the intrinsic or Rashba SOCs. At last, a brief overview is given on other two-dimensional hexagonal materials including silicene and molybdenum disulfide bilayers.

Gas sensing in 2D materials

NASA Astrophysics Data System (ADS)

Yang, Shengxue; Jiang, Chengbao; Wei, Su-huai

2017-06-01

Two-dimensional (2D) layered inorganic nanomaterials have attracted huge attention due to their unique electronic structures, as well as extraordinary physical and chemical properties for use in electronics, optoelectronics, spintronics, catalysts, energy generation and storage, and chemical sensors. Graphene and related layered inorganic analogues have shown great potential for gas-sensing applications because of their large specific surface areas and strong surface activities. This review aims to discuss the latest advancements in the 2D layered inorganic materials for gas sensors. We first elaborate the gas-sensing mechanisms and introduce various types of gas-sensing devices. Then, we describe the basic parameters and influence factors of the gas sensors to further enhance their performance. Moreover, we systematically present the current gas-sensing applications based on graphene, graphene oxide (GO), reduced graphene oxide (rGO), functionalized GO or rGO, transition metal dichalcogenides, layered III-VI semiconductors, layered metal oxides, phosphorene, hexagonal boron nitride, etc. Finally, we conclude the future prospects of these layered inorganic materials in gas-sensing applications.

Shape and Symmetry Determine Two-Dimensional Melting Transitions of Hard Regular Polygons

NASA Astrophysics Data System (ADS)

Anderson, Joshua A.; Antonaglia, James; Millan, Jaime A.; Engel, Michael; Glotzer, Sharon C.

2017-04-01

The melting transition of two-dimensional systems is a fundamental problem in condensed matter and statistical physics that has advanced significantly through the application of computational resources and algorithms. Two-dimensional systems present the opportunity for novel phases and phase transition scenarios not observed in 3D systems, but these phases depend sensitively on the system and, thus, predicting how any given 2D system will behave remains a challenge. Here, we report a comprehensive simulation study of the phase behavior near the melting transition of all hard regular polygons with 3 ≤n ≤14 vertices using massively parallel Monte Carlo simulations of up to 1 ×106 particles. By investigating this family of shapes, we show that the melting transition depends upon both particle shape and symmetry considerations, which together can predict which of three different melting scenarios will occur for a given n . We show that systems of polygons with as few as seven edges behave like hard disks; they melt continuously from a solid to a hexatic fluid and then undergo a first-order transition from the hexatic phase to the isotropic fluid phase. We show that this behavior, which holds for all 7 ≤n ≤14 , arises from weak entropic forces among the particles. Strong directional entropic forces align polygons with fewer than seven edges and impose local order in the fluid. These forces can enhance or suppress the discontinuous character of the transition depending on whether the local order in the fluid is compatible with the local order in the solid. As a result, systems of triangles, squares, and hexagons exhibit a Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) predicted continuous transition between isotropic fluid and triatic, tetratic, and hexatic phases, respectively, and a continuous transition from the appropriate x -atic to the solid. In particular, we find that systems of hexagons display continuous two-step KTHNY melting. In contrast, due to symmetry incompatibility between the ordered fluid and solid, systems of pentagons and plane-filling fourfold pentilles display a one-step first-order melting of the solid to the isotropic fluid with no intermediate phase.

Recent advancements in 2D-materials interface based magnetic junctions for spintronics

NASA Astrophysics Data System (ADS)

Iqbal, Muhammad Zahir; Qureshi, Nabeel Anwar; Hussain, Ghulam

2018-07-01

Two-dimensional (2D) materials comprising of graphene, hexagonal boron nitride (hBN) and transition metal dichalcogenides (TMDs) have revealed fascinating properties in various spintronic architectures. Here, we review spin valve effect in lateral and vertical magnetic junctions incorporating 2D materials as non-magnetic layer between ferromagnetic (FM) electrodes. The magnetic field dependent spin transport properties are studied by measuring non-local resistance (RNL) and relative magnetoresistance ratio (MR) for lateral and vertical structures, respectively. The review consists of (i) studying spin lifetimes and spin diffusion length thereby exploring the effect of tunneling and transparent contacts in lateral spin valve structures, temperature dependence, gate tunability and contrasting mechanisms of spin relaxation in single layer graphene (SLG) and bilayer graphene (BLG) devices. (ii) Perpendicular spin valve devices are thoroughly investigated thereby studying the role of different 2D materials in vertical spin dynamics. The dependence of spin valve signal on interface quality, temperature and various other parameters is also investigated. Furthermore, the spin reversal in graphene-hBN hybrid system is examined on the basis of Julliere model.

Conductivity equations of protons transporting through 2D crystals obtained with the rate process theory and free volume concept

NASA Astrophysics Data System (ADS)

Hao, Tian; Xu, Yuanze; Hao, Ting

2018-04-01

The Eyring's rate process theory and free volume concept are employed to treat protons (or other particles) transporting through a 2D (two dimensional) crystal like graphene and hexagonal boron nitride. The protons are assumed to be activated first in order to participate conduction and the conduction rate is dependent on how much free volume available in the system. The obtained proton conductivity equations show that only the number of conduction protons, proton size and packing structure, and the energy barrier associated with 2D crystals are critical; the quantization conductance is unexpectedly predicted with a simple Arrhenius type temperature dependence. The predictions agree well with experimental observations and clear out many puzzles like much smaller energy barrier determined from experiments than from the density function calculations and isotope separation rate independent of the energy barrier of 2D crystals, etc. Our work may deepen our understandings on how protons transport through a membrane and has direct implications on hydrogen related technology and proton involved bioprocesses.

Face Centered Cubic and Hexagonal Close Packed Skyrmion Crystals in Centrosymmetric Magnets

NASA Astrophysics Data System (ADS)

Lin, Shi-Zeng; Batista, Cristian D.

2018-02-01

Skyrmions are disklike objects that typically form triangular crystals in two-dimensional systems. This situation is analogous to the so-called pancake vortices of quasi-two-dimensional superconductors. The way in which Skyrmion disks or "pancake Skyrmions" pile up in layered centrosymmetric materials is dictated by the interlayer exchange. Unbiased Monte Carlo simulations and simple stabilization arguments reveal face centered cubic and hexagonal close packed Skyrmion crystals for different choices of the interlayer exchange, in addition to the conventional triangular crystal of Skyrmion lines. Moreover, an inhomogeneous current induces a sliding motion of pancake Skyrmions, indicating that they behave as effective mesoscale particles.

Monte Carol-based validation of neutronic methodology for EBR-II analyses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liaw, J.R.; Finck, P.J.

1993-01-01

The continuous-energy Monte Carlo code VIM (Ref. 1) has been validated extensively over the years against fast critical experiments and other neutronic analysis codes. A high degree of confidence in VIM for predicting reactor physics parameters has been firmly established. This paper presents a numerical validation of two conventional multigroup neutronic analysis codes, DIF3D (Ref. 4) and VARIANT (Ref. 5), against VIM for two Experimental Breeder Reactor II (EBR-II) core loadings in detailed three-dimensional hexagonal-z geometry. The DIF3D code is based on nodal diffusion theory, and it is used in calculations for day-today reactor operations, whereas the VARIANT code ismore » based on nodal transport theory and is used with increasing frequency for specific applications. Both DIF3D and VARIANT rely on multigroup cross sections generated from ENDF/B-V by the ETOE-2/MC[sup 2]-II/SDX (Ref. 6) code package. Hence, this study also validates the multigroup cross-section processing methodology against the continuous-energy approach used in VIM.« less

Magnetic and Nematic Orders of the Two-Dimensional Electron Gas at Oxide (111) Surfaces and Interfaces

NASA Astrophysics Data System (ADS)

Boudjada, Nazim; Wachtel, Gideon; Paramekanti, Arun

2018-02-01

Recent experiments have explored two-dimensional electron gases (2DEGs) at oxide (111) surfaces and interfaces, finding evidence for hexagonal symmetry breaking in SrTiO3 at low temperature. We discuss many-body instabilities of such (111) 2DEGs, incorporating multiorbital interactions in the t2 g manifold which can induce diverse magnetic and orbital orders. Such broken symmetries may partly account for the observed nematicity, cooperating or competing with phonon mechanisms. We present an effective field theory for the interplay of magnetism and nematic charge order, and discuss implications of the nematicity for transport and superconductivity in (111) 2DEGs.

Metallic rare-earth silicide nanowires on silicon surfaces.

PubMed

Dähne, Mario; Wanke, Martina

2013-01-09

The formation, atomic structure, and electronic properties of self-assembled rare-earth silicide nanowires on silicon surfaces were studied by scanning tunneling microscopy and angle-resolved photoelectron spectroscopy. Metallic dysprosium and erbium silicide nanowires were observed on both the Si(001) and Si(557) surfaces. It was found that they consist of hexagonal rare-earth disilicides for both surface orientations. On Si(001), the nanowires are characterized by a one-dimensional band structure, while the electronic dispersion is two-dimensional for the nanowires formed on Si(557). This behavior is explained by the different orientations of the hexagonal c axis of the silicide leading to different conditions for the carrier confinement. By considering this carrier confinement it is demonstrated how the one-dimensional band structure of the nanowires on Si(001) can be derived from the two-dimensional one of the silicide monolayer on Si(111).

Room temperature quantum spin Hall insulators with a buckled square lattice.

PubMed

Luo, Wei; Xiang, Hongjun

2015-05-13

Two-dimensional (2D) topological insulators (TIs), also known as quantum spin Hall (QSH) insulators, are excellent candidates for coherent spin transport related applications because the edge states of 2D TIs are robust against nonmagnetic impurities since the only available backscattering channel is forbidden. Currently, most known 2D TIs are based on a hexagonal (specifically, honeycomb) lattice. Here, we propose that there exists the quantum spin Hall effect (QSHE) in a buckled square lattice. Through performing global structure optimization, we predict a new three-layer quasi-2D (Q2D) structure, which has the lowest energy among all structures with the thickness less than 6.0 Å for the BiF system. It is identified to be a Q2D TI with a large band gap (0.69 eV). The electronic states of the Q2D BiF system near the Fermi level are mainly contributed by the middle Bi square lattice, which are sandwiched by two inert BiF2 layers. This is beneficial since the interaction between a substrate and the Q2D material may not change the topological properties of the system, as we demonstrate in the case of the NaF substrate. Finally, we come up with a new tight-binding model for a two-orbital system with the buckled square lattice to explain the low-energy physics of the Q2D BiF material. Our study not only predicts a QSH insulator for realistic room temperature applications but also provides a new lattice system for engineering topological states such as quantum anomalous Hall effect.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kalsi, Deepti; Rayaprol, S.; Siruguri, V.

We report the crystallographic properties of RE{sub 2}NiGe{sub 3} (RE=La, Ce) synthesized by arc melting. Rietveld refinement on the powder neutron diffraction (ND) data suggest both compounds are isostructural and crystallize in the non-centrosymmetric Er{sub 2}RhSi{sub 3} type structure having hexagonal space group P6{sup ¯}2c. In the crystal structure of RE{sub 2}NiGe{sub 3}, two dimensional arrangements of nickel and germanium atoms lead to the formation of hexagonal layers with rare earth atoms sandwiched between them. Magnetic susceptibility measurements performed in low fields exhibit antiferromagnetic ordering in cerium compound around (T{sub o}=) 3.2 K. Neutron diffraction measurements at 2.8 K (i.e.,more » at T« less

Mid-infrared polaritonic coupling between boron nitride nanotubes and graphene.

PubMed

Xu, Xiaoji G; Jiang, Jian-Hua; Gilburd, Leonid; Rensing, Rachel G; Burch, Kenneth S; Zhi, Chunyi; Bando, Yoshio; Golberg, Dmitri; Walker, Gilbert C

2014-11-25

Boron nitride (BN) is considered to be a promising substrate for graphene-based devices in part because its large band gap can serve to insulate graphene in layered heterostructures. At mid-infrared frequencies, graphene supports surface plasmon polaritons (SPPs), whereas hexagonal-BN (h-BN) is found to support surface phonon polaritons (SPhPs). We report on the observation of infrared polaritonic coupling between graphene SPPs and boron nitride nanotube (BNNT) SPhPs. Infrared scattering type scanning near-field optical microscopy is used to obtain spatial distribution of the two types of polaritons at the nanoscale. The observation suggests that those polaritons interact at the nanoscale in a one-dimensional/two-dimensional (1D/2D) geometry, exchanging energy in a nonplanar configuration at the nanoscale. Control of the polaritonic interaction is achieved by adjustment of the graphene Fermi level through voltage gating. Our observation suggests that boron nitride nanotubes and graphene can interact at mid-infrared frequencies and coherently exchange their energies at the nanoscale through the overlap of mutual electric near field of surface phonon polaritons and surface plasmon polaritons. Such interaction enables the design of nano-optical devices based on BNNT-graphene polaritonics in the mid-infrared range.

Emerging chemical strategies for imprinting magnetism in graphene and related 2D materials for spintronic and biomedical applications.

PubMed

Tuček, Jiří; Błoński, Piotr; Ugolotti, Juri; Swain, Akshaya Kumar; Enoki, Toshiaki; Zbořil, Radek

2018-06-05

Graphene, a single two-dimensional sheet of carbon atoms with an arrangement mimicking the honeycomb hexagonal architecture, has captured immense interest of the scientific community since its isolation in 2004. Besides its extraordinarily high electrical conductivity and surface area, graphene shows a long spin lifetime and limited hyperfine interactions, which favors its potential exploitation in spintronic and biomedical applications, provided it can be made magnetic. However, pristine graphene is diamagnetic in nature due to solely sp2 hybridization. Thus, various attempts have been proposed to imprint magnetic features into graphene. The present review focuses on a systematic classification and physicochemical description of approaches leading to equip graphene with magnetic properties. These include introduction of point and line defects into graphene lattices, spatial confinement and edge engineering, doping of graphene lattice with foreign atoms, and sp3 functionalization. Each magnetism-imprinting strategy is discussed in detail including identification of roles of various internal and external parameters in the induced magnetic regimes, with assessment of their robustness. Moreover, emergence of magnetism in graphene analogues and related 2D materials such as transition metal dichalcogenides, metal halides, metal dinitrides, MXenes, hexagonal boron nitride, and other organic compounds is also reviewed. Since the magnetic features of graphene can be readily masked by the presence of magnetic residues from synthesis itself or sample handling, the issue of magnetic impurities and correct data interpretations is also addressed. Finally, current problems and challenges in magnetism of graphene and related 2D materials and future potential applications are also highlighted.

Room temperature exchange bias in multiferroic BiFeO3 nano- and microcrystals with antiferromagnetic core and two-dimensional diluted antiferromagnetic shell

NASA Astrophysics Data System (ADS)

Zhang, Chuang; Wang, Shou Yu; Liu, Wei Fang; Xu, Xun Ling; Li, Xiu; Zhang, Hong; Gao, Ju; Li, De Jun

2017-05-01

Exchange bias (EB) of multiferroics presents many potential opportunities for magnetic devices. However, instead of using low-temperature field cooling in the hysteresis loop measurement, which usually shows an effective approach to obtain obvious EB phenomenon, there are few room temperature EB. In this article, extensive studies on room temperature EB without field cooling were observed in BiFeO3 nano- and microcrystals. Moreover, with increasing size the hysteresis loops shift from horizontal negative exchange bias (NEB) to positive exchange bias (PEB). In order to explain the tunable EB behaviors with size dependence, a phenomenological qualitative model based on the framework of antiferromagnetic (AFM) core-two-dimensional diluted antiferromagnet in a field (2D-DAFF) shell structure was proposed. The training effect (TE) ascertained the validity of model and the presence of unstable magnetic structure using Binek's model. Experimental results show that the tunable EB effect can be explained by the competition of ferromagnetic (FM) exchange coupling and AFM exchange coupling interaction between AFM core and 2D-DAFF shell. Additionally, the local distortion of lattice fringes was observed in hexagonal-shaped BiFeO3 nanocrystals with well-dispersed behavior. The electrical conduction properties agreed well with the space charge-limited conduction mechanism.

Bandgap engineering and charge separation in two-dimensional GaS-based van der Waals heterostructures for photocatalytic water splitting

NASA Astrophysics Data System (ADS)

Wang, Biao; Kuang, Anlong; Luo, Xukai; Wang, Guangzhao; Yuan, Hongkuan; Chen, Hong

2018-05-01

Two-dimensional (2D) gallium sulfide (GaS), hexagonal boron nitride (h-BN) and graphitic carbon nitride (g-C3N4) have been fabricated and expected to be promising photocatalysts under ultraviolet irradiation. Here, we employ hybrid density functional calculations to explore the potential of the 2D GaS-based heterojunctions GaS/h-BN (g-C3N4) for the design of efficient water redox photocatalysts. Both heterostructures can be formed via van der Waals (vdW) interaction and are direct bandgap semiconductors, whose bandgaps are reduced comparing with isolated GaS, h-BN or g-C3N4 monolayers and whose bandedges straddle water redox potentials. Furthermore, the optical absorption of GaS/h-BN (g-C3N4) heterostructures is observably enhanced in the ultraviolet-visible (UV-vis) light range. The electron-hole pairs in GaS/h-BN (g-C3N4) heterostructures are completely separated from different layers. In addition, the in-plane biaxial strain can effectively modulate the electronic properties of GaS/h-BN (g-C3N4) heterostructures. Thus the GaS/h-BN (g-C3N4) heterostructures are anticipated to be promising candidates for photocatalytic water splitting to produce hydrogen.

Assembly of the most topologically regular two-dimensional micro and nanocrystals with spherical, conical, and tubular shapes

NASA Astrophysics Data System (ADS)

Roshal, D. S.; Konevtsova, O. V.; Myasnikova, A. E.; Rochal, S. B.

2016-11-01

We consider how to control the extension of curvature-induced defects in the hexagonal order covering different curved surfaces. In these frames we propose a physical mechanism for improving structures of two-dimensional spherical colloidal crystals (SCCs). For any SCC comprising of about 300 or less particles the mechanism transforms all extended topological defects (ETDs) in the hexagonal order into the point disclinations. Perfecting the structure is carried out by successive cycles of the particle implantation and subsequent relaxation of the crystal. The mechanism is potentially suitable for obtaining colloidosomes with better selective permeability. Our approach enables modeling the most topologically regular tubular and conical two-dimensional nanocrystals including various possible polymorphic forms of the HIV viral capsid. Different HIV-like shells with an arbitrary number of structural units (SUs) and desired geometrical parameters are easily formed. Faceting of the obtained structures is performed by minimizing the suggested elastic energy.

Edge-Controlled Growth and Etching of Two-Dimensional GaSe Monolayers

DOE PAGES

Li, Xufan; Dong, Jichen; Idrobo, Juan C.; ...

2016-12-07

Understanding the atomistic mechanisms governing the growth of two-dimensional (2D) materials is of great importance in guiding the synthesis of wafer-sized, single-crystalline, high-quality 2D crystals and heterostructures. Etching, in many cases regarded as the reverse process of material growth, has been used to study the growth kinetics of graphene. In this paper, we explore a growth–etching–regrowth process of monolayer GaSe crystals, including single-crystalline triangles and irregularly shaped domains formed by merged triangles. We show that the etching begins at a slow rate, creating triangular, truncated triangular, or hexagonally shaped holes that eventually evolve to exclusively triangles that are rotated 60°more » with respect to the crystalline orientation of the monolayer triangular crystals. The regrowth occurs much faster than etching, reversibly filling the etched holes and then enlarging the size of the monolayer crystals. A theoretical model developed based on kinetic Wulff construction (KWC) theory and density functional theory (DFT) calculations accurately describe the observed morphology evolution of the monolayer GaSe crystals and etched holes during the growth and etching processes, showing that they are governed by the probability of atom attachment/detachment to/from different types of edges with different formation energies of nucleus/dents mediated by chemical potential difference Δμ between Ga and Se. Finally, our growth–etching–regrowth study provides not only guidance to understand the growth mechanisms of 2D binary crystals but also a potential method for the synthesis of large, shape-controllable, high-quality single-crystalline 2D crystals and their lateral heterostructures.« less

Electrically insulating thermal nano-oils using 2D fillers.

PubMed

Taha-Tijerina, Jaime; Narayanan, Tharangattu N; Gao, Guanhui; Rohde, Matthew; Tsentalovich, Dmitri A; Pasquali, Matteo; Ajayan, Pulickel M

2012-02-28

Different nanoscale fillers have been used to create composite fluids for applications such as thermal management. The ever increasing thermal loads in applications now require advanced operational fluids, for example, high thermal conductivity dielectric oils in transformers. These oils require excellent filler dispersion, high thermal conduction, but also electrical insulation. Such thermal oils that conform to this thermal/electrical requirement, and yet remain in highly suspended stable state, have not yet been synthesized. We report here the synthesis and characterization of stable high thermal conductivity Newtonian nanofluids using exfoliated layers of hexagonal boron nitride in oil without compromising its electrically insulating property. Two-dimensional nanosheets of hexagonal boron nitride are liquid exfoliated in isopropyl alcohol and redispersed in mineral oil, used as standard transformer oil, forming stable nanosuspensions with high shelf life. A high electrical resistivity, even higher than that of the base oil, is maintained for the nano-oil containing small weight fraction of the filler (0.01 wt %), whereas the thermal conductivity was enhanced. The low dissipation factor and high pour point for this nano-oil suggests several applications in thermal management.

Effect of intermolecular dipole-dipole interactions on interfacial supramolecular structures of C3-symmetric hexa-peri-hexabenzocoronene derivatives.

PubMed

Mu, Zhongcheng; Shao, Qi; Ye, Jun; Zeng, Zebing; Zhao, Yang; Hng, Huey Hoon; Boey, Freddy Yin Chiang; Wu, Jishan; Chen, Xiaodong

2011-02-15

Two-dimensional (2D) supramolecular assemblies of a series of novel C(3)-symmetric hexa-peri-hexabenzocoronene (HBC) derivatives bearing different substituents adsorbed on highly oriented pyrolytic graphite were studied by using scanning tunneling microscopy at a solid-liquid interface. It was found that the intermolecular dipole-dipole interactions play a critical role in controlling the interfacial supramolecular assembly of these C(3)-symmetric HBC derivatives at the solid-liquid interface. The HBC molecule bearing three -CF(3) groups could form 2D honeycomb structures because of antiparallel dipole-dipole interactions, whereas HBC molecules bearing three -CN or -NO(2) groups could form hexagonal superstructures because of a special trimeric arrangement induced by dipole-dipole interactions and weak hydrogen bonding interactions ([C-H···NC-] or [C-H···O(2)N-]). Molecular mechanics and dynamics simulations were performed to reveal the physics behind the 2D structures as well as detailed functional group interactions. This work provides an example of how intermolecular dipole-dipole interactions could enable fine control over the self-assembly of disklike π-conjugated molecules.

Metal-free spin and spin-gapless semiconducting heterobilayers: monolayer boron carbonitrides on hexagonal boron nitride.

PubMed

Pan, Hongzhe; Zhang, Hongyu; Sun, Yuanyuan; Ding, Yingchun; Chen, Jie; Du, Youwei; Tang, Nujiang

2017-06-07

The interfaces between monolayer boron carbonitrides and hexagonal boron nitride (h-BN) play an important role in their practical applications. Herein, we respectively investigate the structural and electronic properties of two metal-free heterobilayers constructed by vertically stacking two-dimensional (2D) spintronic materials (B 4 CN 3 and B 3 CN 4 ) on a h-BN monolayer from the viewpoints of lattice match and lattice mismatch models using density functional calculations. It is found that both B 4 CN 3 and B 3 CN 4 monolayers can be stably adsorbed on the h-BN monolayer due to the van der Waals interactions. Intriguingly, we demonstrate that the bipolar magnetic semiconductor (BMS) behavior of the B 4 CN 3 layer and the spin gapless semiconductor (SGS) property of the B 3 CN 4 layer can be well preserved in the B 4 CN 3 /BN and B 3 CN 4 /BN heterobilayers, respectively. The magnetic moments and spintronic properties of the two systems originate mainly from the 2p z electrons of the carbon atoms in the B 4 CN 3 and B 3 CN 4 layers. Furthermore, the BMS behavior of the B 4 CN 3 /BN bilayer is very robust while the electronic property of the B 3 CN 4 /BN bilayer is sensitive to interlayer couplings. These theoretical results are helpful both in understanding the interlayer coupling between B 4 CN 3 or B 3 CN 4 and h-BN monolayers and in providing a possibility of fabricating 2D composite B 4 CN 3 /BN and B 3 CN 4 /BN metal-free spintronic materials theoretically.

Two-dimensional Si nanosheets with local hexagonal structure on a MoS(2) surface.

PubMed

Chiappe, Daniele; Scalise, Emilio; Cinquanta, Eugenio; Grazianetti, Carlo; van den Broek, Bas; Fanciulli, Marco; Houssa, Michel; Molle, Alessandro

2014-04-02

The structural and electronic properties of a Si nanosheet (NS) grown onto a MoS2 substrate by means of molecular beam epitaxy are assessed. Epitaxially grown Si is shown to adapt to the trigonal prismatic surface lattice of MoS2 by forming two-dimensional nanodomains. The Si layer structure is distinguished from the underlying MoS2 surface structure. The local electronic properties of the Si nanosheet are dictated by the atomistic arrangement of the layer and unlike the MoS2 hosting substrate they are qualified by a gap-less density of states. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

2D Crystal heterostructures properties and growth by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Xing, Grace Huili

Two-dimensional (2D) crystals such as transition metal dichalcogenides (TMDs) along with other families of layered materials including graphene, SnSe2, GaSe, BN etc, has attracted intense attention from the scientific community. One monolayer of such materials represent the thinnest ``quantum wells''. These layered materials typically possess an in-plane hexagonal crystal structure, and can be stacked together by interlayer van der Waals interactions. Therefore, it is possible to create novel heterostructures by stacking materials with large lattice mismatches and different properties, for instance, superconductors (NbSe2) , metals, semi-metals (graphene), semiconductors (MoS2) and insulators (BN). Numerous novel material properties and device concepts have been discovered, proposed and demonstrated lately. However, the low internal photoluminescence efficiency (IPE, <1%) and low carrier mobility observed in the 2D semiconductors suggest strongly that the materials under investigation today most likely suffer from a high concentration of defects. In this talk, I will share our progress and the challenges we face in terms of preparing, characterizing these 2D crystals as well as pursuing their applications. This work has been supported in part by NSF, AFOSR and LEAST, one of the STARnet centers.

Boron Nitride Nanostructures: Fabrication, Functionalization and Applications.

PubMed

Yin, Jun; Li, Jidong; Hang, Yang; Yu, Jin; Tai, Guoan; Li, Xuemei; Zhang, Zhuhua; Guo, Wanlin

2016-06-01

Boron nitride (BN) structures are featured by their excellent thermal and chemical stability and unique electronic and optical properties. However, the lack of controlled synthesis of quality samples and the electrically insulating property largely prevent realizing the full potential of BN nanostructures. A comprehensive overview of the current status of the synthesis of two-dimensional hexagonal BN sheets, three dimensional porous hexagonal BN materials and BN-involved heterostructures is provided, highlighting the advantages of different synthetic methods. In addition, structural characterization, functionalizations and prospective applications of hexagonal BN sheets are intensively discussed. One-dimensional BN nanoribbons and nanotubes are then discussed in terms of structure, fabrication and functionality. In particular, the existing routes in pursuit of tunable electronic and magnetic properties in various BN structures are surveyed, calling upon synergetic experimental and theoretical efforts to address the challenges for pioneering the applications of BN into functional devices. Finally, the progress in BN superstructures and novel B/N nanostructures is also briefly introduced. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chiral zero energy modes in two-dimensional disordered Dirac semimetals

NASA Astrophysics Data System (ADS)

Liu, Lei; Yu, Yan; Wu, Hai-Bin; Zhang, Yan-Yang; Liu, Jian-Jun; Li, Shu-Shen

2018-04-01

The vacancy-induced chiral zero energy modes (CZEMs) of chiral-unitary-class (AIII) and chiral-symplectic-class (CII) two-dimensional (2 D ) disordered Dirac semimetals realized on a square bipartite lattice are investigated numerically by using the Kubo-Greenwood formula with the kernel polynomial method. The results show that, for both systems, the CZEMs exhibit the critical delocalization. The CZEM conductivity remains a robust constant (i.e., σ CZEM≈1.05 e2/h ), which is insensitive to the sample sizes, the vacancy concentrations, and the numbers of moments of Chebyshev polynomials, i.e., the dephasing strength. For both kinds of chiral systems, the CZEM conductivities are almost identical. However, they are not equal to that of graphene (i.e., 4 e2/π h ), which belongs to the chiral orthogonal class (BDI) semimetal on a 2 D hexagonal bipartite lattice. In addition, for the case that the vacancy concentrations are different in the two sublattices, the CZEM conductivity vanishes, and thus both systems exhibit localization at the Dirac point. Moreover, a band gap and a mobility gap open around zero energy. The widths of the energy gaps and mobility gaps are increasing with larger vacancy concentration difference. The width of the mobility gap is greater than that of the band gap, and a δ -function-like peak of density of states emerges at the Dirac point within the band gap, implying the existence of numerous localized states.

Defect-induced wetting on BaF 2(111) and CaF 2(111) at ambient conditions

NASA Astrophysics Data System (ADS)

Cardellach, M.; Verdaguer, A.; Fraxedas, J.

2011-12-01

The interaction of water with freshly cleaved (111) surfaces of isostructural BaF2 and CaF2 single crystals at ambient conditions (room temperature and under controlled humidity) has been studied using scanning force microscopy in different operation modes and optical microscopy. Such surfaces exhibit contrasting behaviors for both materials: while on BaF2(111) two-dimensional water layers are formed after accumulation at step edges, CaF2(111) does not promote the formation of such layers. We attribute such opposed behavior to lattice match (mismatch) between hexagonal water ice and the hexagonal (111) surfaces of BaF2(CaF2). Optical microscope images reveal that this behavior also determines the way the surfaces become wetted at a macroscopic level.

Effect of 10B isotope and vacancy defects on the phonon modes of two-dimensional hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Sherajul Islam, Md.; Anindya, Khalid N.; Bhuiyan, Ashraful G.; Tanaka, Satoru; Makino, Takayuki; Hashimoto, Akihiro

2018-02-01

We report the details of the effects of the 10B isotope and those of B and N vacancies combined with the isotope on the phonon modes of two-dimensional hexagonal boron nitride (h-BN). The phonon density of states and localization problems are solved using the forced vibrational method, which is suitable for an intricate and disordered system. We observe an upward shift of Raman-active E2g-mode optical phonons (32 cm-1) for a 100% 10B isotope, which matches well with the experiment and simple harmonic oscillator model. However, a downward shift of E2g-mode phonons is observed for B or N vacancies and the combination of the isotope and vacancy-type disordered BN. Strong localized eigenmodes are found for all types of defects, and a typical localization length is on the order of ˜7 nm for naturally occurring BN samples. These results are very important for understanding the heat dissipation and electron transport properties of BN-based nanoelectronics.

Enhanced photon absorption in spiral nanostructured solar cells using layered 2D materials.

PubMed

Tahersima, Mohammad H; Sorger, Volker J

2015-08-28

Recent investigations of semiconducting two-dimensional (2D) transition metal dichalcogenides have provided evidence for strong light absorption relative to its thickness attributed to high density of states. Stacking a combination of metallic, insulating, and semiconducting 2D materials enables functional devices with atomic thicknesses. While photovoltaic cells based on 2D materials have been demonstrated, the reported absorption is still just a few percent of the incident light due to their sub-wavelength thickness leading to low cell efficiencies. Here we show that taking advantage of the mechanical flexibility of 2D materials by rolling a molybdenum disulfide (MoS(2))/graphene (Gr)/hexagonal boron nitride stack to a spiral solar cell allows for optical absorption up to 90%. The optical absorption of a 1 μm long hetero-material spiral cell consisting of the aforementioned hetero stack is about 50% stronger compared to a planar MoS(2) cell of the same thickness; although the volumetric absorbing material ratio is only 6%. A core-shell structure exhibits enhanced absorption and pronounced absorption peaks with respect to a spiral structure without metallic contacts. We anticipate these results to provide guidance for photonic structures that take advantage of the unique properties of 2D materials in solar energy conversion applications.

In-plane heterostructures of graphene and hexagonal boron nitride with controlled domain sizes

NASA Astrophysics Data System (ADS)

Liu, Zheng; Ma, Lulu; Shi, Gang; Zhou, Wu; Gong, Yongji; Lei, Sidong; Yang, Xuebei; Zhang, Jiangnan; Yu, Jingjiang; Hackenberg, Ken P.; Babakhani, Aydin; Idrobo, Juan-Carlos; Vajtai, Robert; Lou, Jun; Ajayan, Pulickel M.

2013-02-01

Graphene and hexagonal boron nitride (h-BN) have similar crystal structures with a lattice constant difference of only 2%. However, graphene is a zero-bandgap semiconductor with remarkably high carrier mobility at room temperature, whereas an atomically thin layer of h-BN is a dielectric with a wide bandgap of ~5.9 eV. Accordingly, if precise two-dimensional domains of graphene and h-BN can be seamlessly stitched together, hybrid atomic layers with interesting electronic applications could be created. Here, we show that planar graphene/h-BN heterostructures can be formed by growing graphene in lithographically patterned h-BN atomic layers. Our approach can create periodic arrangements of domains with size ranging from tens of nanometres to millimetres. The resulting graphene/h-BN atomic layers can be peeled off the growth substrate and transferred to various platforms including flexible substrates. We also show that the technique can be used to fabricate two-dimensional devices, such as a split closed-loop resonator that works as a bandpass filter.

Topological dynamics of vortex-line networks in hexagonal manganites

NASA Astrophysics Data System (ADS)

Xue, Fei; Wang, Nan; Wang, Xueyun; Ji, Yanzhou; Cheong, Sang-Wook; Chen, Long-Qing

2018-01-01

The two-dimensional X Y model is the first well-studied system with topological point defects. On the other hand, although topological line defects are common in three-dimensional systems, the evolution mechanism of line defects is not fully understood. The six domains in hexagonal manganites converge to vortex lines in three dimensions. Using phase-field simulations, we predicted that during the domain coarsening process, the vortex-line network undergoes three types of basic topological changes, i.e., vortex-line loop shrinking, coalescence, and splitting. It is shown that the vortex-antivortex annihilation controls the scaling dynamics.

Random telegraph noise in 2D hexagonal boron nitride dielectric films

NASA Astrophysics Data System (ADS)

Ranjan, A.; Puglisi, F. M.; Raghavan, N.; O'Shea, S. J.; Shubhakar, K.; Pavan, P.; Padovani, A.; Larcher, L.; Pey, K. L.

2018-03-01

This study reports the observation of low frequency random telegraph noise (RTN) in a 2D layered hexagonal boron nitride dielectric film in the pre- and post-soft breakdown phases using conductive atomic force microscopy as a nanoscale spectroscopy tool. The RTN traces of the virgin and electrically stressed dielectric (after percolation breakdown) were compared, and the signal features were statistically analyzed using the Factorial Hidden Markov Model technique. We observe a combination of both two-level and multi-level RTN signals in h-BN, akin to the trends commonly observed for bulk oxides such as SiO2 and HfO2. Experimental evidence suggests frequent occurrence of unstable and anomalous RTN traces in 2D dielectrics which makes extraction of defect energetics challenging.

Interplay between intercalated oxygen superstructures and monolayer h -BN on Cu(100)

DOE PAGES

Ma, Chuanxu; Park, Jewook; Liu, Lei; ...

2016-08-18

The confinement effect of intercalated atoms in van der Waals heterostructures can lead to interesting interactions between the confined atoms or molecules and the overlaying two-dimensional (2D) materials. In this paper, we report the formation of ordered Cu(100) p(2×2) oxygen superstructures by oxygen intercalation under the monolayer hexagonal boron nitride (h-BN) on Cu after annealing. By using scanning tunneling microscopy and x-ray photoelectron spectroscopy, we identify the superstructure and reveal its roles in passivating the exposed Cu surfaces, decoupling h-BN and Cu, and disintegrating h-BN monolayers. The oxygen superstructure appears as a 2D pattern on the exposed Cu surface ormore » quasi-1D stripes of paired oxygen intercalated in the interface of h-BN and Cu predominantly oriented along the moiré modulations. The oxygen superstructure is shown to etch the overlaying h-BN monolayer in a thermal annealing process. After extended annealing, the h-BN monolayer disintegrates into nanoislands with zigzag edges. Finally, we discuss the implications of these findings on the stability and oxidation resistance of h-BN and relate them to challenges in process integration and 2D heterostructures.« less

A three-dimensional finite element study on the stress distribution pattern of two prosthetic abutments for external hexagon implants.

PubMed

Moreira, Wagner; Hermann, Caio; Pereira, Jucélio Tomás; Balbinoti, Jean Anacleto; Tiossi, Rodrigo

2013-10-01

The purpose of this study was to evaluate the mechanical behavior of two different straight prosthetic abutments (one- and two-piece) for external hex butt-joint connection implants using three-dimensional finite element analysis (3D-FEA). Two 3D-FEA models were designed, one for the two-piece prosthetic abutment (2 mm in height, two-piece mini-conical abutment, Neodent) and another one for the one-piece abutment (2 mm in height, Slim Fit one-piece mini-conical abutment, Neodent), with their corresponding screws and implants (Titamax Ti, 3.75 diameter by 13 mm in length, Neodent). The model simulated the single restoration of a lower premolar using data from a computerized tomography of a mandible. The preload (20 N) after torque application for installation of the abutment and an occlusal loading were simulated. The occlusal load was simulated using average physiological bite force and direction (114.6 N in the axial direction, 17.1 N in the lingual direction and 23.4 N toward the mesial at an angle of 75° to the occlusal plan). The regions with the highest von Mises stress results were at the bottom of the initial two threads of both prosthetic abutments that were tested. The one-piece prosthetic abutment presented a more homogeneous behavior of stress distribution when compared with the two-piece abutment. Under the simulated chewing loads, the von Mises stresses for both tested prosthetic-abutments were within the tensile strength values of the materials analyzed which thus supports the clinical use of both prosthetic abutments.

Two-dimensional liquid crystalline growth within a phase-field-crystal model.

PubMed

Tang, Sai; Praetorius, Simon; Backofen, Rainer; Voigt, Axel; Yu, Yan-Mei; Wang, Jincheng

2015-07-01

By using a two-dimensional phase-field-crystal (PFC) model, the liquid crystalline growth of the plastic triangular phase is simulated with emphasis on crystal shape and topological defect formation. The equilibrium shape of a plastic triangular crystal (PTC) grown from an isotropic phase is compared with that grown from a columnar or smectic-A (CSA) phase. While the shape of a PTC nucleus in the isotropic phase is almost identical to that of the classical PFC model, the shape of a PTC nucleus in CSA is affected by the orientation of stripes in the CSA phase, and irregular hexagonal, elliptical, octagonal, and rectangular shapes are obtained. Concerning the dynamics of the growth process, we analyze the topological structure of the nematic order, which starts from nucleation of +1/2 and -1/2 disclination pairs at the PTC growth front and evolves into hexagonal cells consisting of +1 vortices surrounded by six satellite -1/2 disclinations. It is found that the orientational and the positional order do not evolve simultaneously; the orientational order evolves behind the positional order, leading to a large transition zone, which can span over several lattice spacings.

Configuration of ripple domains and their topological defects formed under local mechanical stress on hexagonal monolayer graphene.

PubMed

Park, Yeonggu; Choi, Jin Sik; Choi, Taekjib; Lee, Mi Jung; Jia, Quanxi; Park, Minwoo; Lee, Hoonkyung; Park, Bae Ho

2015-03-24

Ripples in graphene are extensively investigated because they ensure the mechanical stability of two-dimensional graphene and affect its electronic properties. They arise from spontaneous symmetry breaking and are usually manifested in the form of domains with long-range order. It is expected that topological defects accompany a material exhibiting long-range order, whose functionality depends on characteristics of domains and topological defects. However, there remains a lack of understanding regarding ripple domains and their topological defects formed on monolayer graphene. Here we explore configuration of ripple domains and their topological defects in exfoliated monolayer graphenes on SiO2/Si substrates using transverse shear microscope. We observe three-color domains with three different ripple directions, which meet at a core. Furthermore, the closed domain is surrounded by an even number of cores connected together by domain boundaries, similar to topological vortex and anti-vortex pairs. In addition, we have found that axisymmetric three-color domains can be induced around nanoparticles underneath the graphene. This fascinating configuration of ripple domains may result from the intrinsic hexagonal symmetry of two-dimensional graphene, which is supported by theoretical simulation using molecular dynamics. Our findings are expected to play a key role in understanding of ripple physics in graphene and other two-dimensional materials.

Biomolecule-assisted exfoliation and dispersion of graphene and other two-dimensional materials: a review of recent progress and applications.

PubMed

Paredes, J I; Villar-Rodil, S

2016-08-25

Direct liquid-phase exfoliation of layered materials by means of ultrasound, shear forces or electrochemical intercalation holds enormous promise as a convenient, cost-effective approach to the mass production of two-dimensional (2D) materials, particularly in the form of colloidal suspensions of high quality and micrometer- and submicrometer-sized flakes. Of special relevance due to environmental and practical reasons is the production of 2D materials in aqueous medium, which generally requires the use of certain additives (surfactants and other types of dispersants) to assist in the exfoliation and colloidal stabilization processes. In this context, biomolecules have received, in recent years, increasing attention as dispersants for 2D materials, as they provide a number of advantages over more conventional, synthetic surfactants. Here, we review research progress in the use of biomolecules as exfoliating and dispersing agents for the production of 2D materials. Although most efforts in this area have focused on graphene, significant advances have also been reported with transition metal dichalcogenides (MoS2, WS2, etc.) or hexagonal boron nitride. Particular emphasis is placed on the specific merits of different types of biomolecules, including proteins and peptides, nucleotides and nucleic acids (RNA, DNA), polysaccharides, plant extracts and bile salts, on their role as efficient colloidal dispersants of 2D materials, as well as on the potential applications that have been explored for such biomolecule-exfoliated materials. These applications are wide-ranging and encompass the fields of biomedicine (photothermal and photodynamic therapy, bioimaging, biosensing, etc.), energy storage (Li- and Na-ion batteries), catalysis (e.g., catalyst supports for the oxygen reduction reaction or electrocatalysts for the hydrogen evolution reaction), or composite materials. As an incipient area of research, a number of knowledge gaps, unresolved issues and novel future directions remain to be addressed for biomolecule-exfoliated 2D materials, which will be discussed in the last part of this review.

The Self-Assembly of DNA Nanostructures for use as Organizing Templates

NASA Astrophysics Data System (ADS)

Samec, Timothy; Cholewinski, Mitchell; Reamer, Nickalas; Reardon, Michael; Ford, Arlene

There is growing interest in the self-assembling capabilities of DNA to create functional nanodevices for use in cancer detection and treatment. One important reason for this interest is that DNA nanostructures are highly programmable molecules. This means that these structures allow for increased stability and control when designing biomacromolecules via adhesion of plasmonic nanoparticles and other similar materials. Our current work reports on the procedure and construction of hexagonal two-dimensional DNA lattice structures using three specific DNA single strands. We also reflect on several barriers that were presented during fabrication as well as the adaptations made to overcome the aforementioned barriers by improving the quality, reproducibility, and yield of the hexagonal two-dimensional DNA lattice as organizing templates.

Graph Theoretical Representation of Atomic Asymmetry and Molecular Chirality of Benzenoids in Two-Dimensional Space

PubMed Central

Zhao, Tanfeng; Zhang, Qingyou; Long, Hailin; Xu, Lu

2014-01-01

In order to explore atomic asymmetry and molecular chirality in 2D space, benzenoids composed of 3 to 11 hexagons in 2D space were enumerated in our laboratory. These benzenoids are regarded as planar connected polyhexes and have no internal holes; that is, their internal regions are filled with hexagons. The produced dataset was composed of 357,968 benzenoids, including more than 14 million atoms. Rather than simply labeling the huge number of atoms as being either symmetric or asymmetric, this investigation aims at exploring a quantitative graph theoretical descriptor of atomic asymmetry. Based on the particular characteristics in the 2D plane, we suggested the weighted atomic sum as the descriptor of atomic asymmetry. This descriptor is measured by circulating around the molecule going in opposite directions. The investigation demonstrates that the weighted atomic sums are superior to the previously reported quantitative descriptor, atomic sums. The investigation of quantitative descriptors also reveals that the most asymmetric atom is in a structure with a spiral ring with the convex shape going in clockwise direction and concave shape going in anticlockwise direction from the atom. Based on weighted atomic sums, a weighted F index is introduced to quantitatively represent molecular chirality in the plane, rather than merely regarding benzenoids as being either chiral or achiral. By validating with enumerated benzenoids, the results indicate that the weighted F indexes were in accordance with their chiral classification (achiral or chiral) over the whole benzenoids dataset. Furthermore, weighted F indexes were superior to previously available descriptors. Benzenoids possess a variety of shapes and can be extended to practically represent any shape in 2D space—our proposed descriptor has thus the potential to be a general method to represent 2D molecular chirality based on the difference between clockwise and anticlockwise sums around a molecule. PMID:25032832

Theory-Guided Innovation of Noncarbon Two-Dimensional Nanomaterials

DTIC Science & Technology

2016-05-24

unique structures and exceptional properties, such as Be5C2 monolayers with quasi -planaer pentacoordinate carbon, FeB6 monolayers hypercoordinate...properties, such as Be5C2 monolayers with quasi -planaer pentacoordinate carbon, FeB6 monolayers hypercoordinate transition metal, semiconducting Group 15...theoretical and experimental studies, we have developed a convenient chemical approach to etch hexagonal boron nitride monolayers to achieve holes

Hyperfine fields and anisotropy of the orbital moment in epitaxial Mn5Ge3 films studied by 55Mn NMR

NASA Astrophysics Data System (ADS)

Kalvig, R.; Jedryka, E.; Wojcik, M.; Allodi, G.; De Renzi, R.; Petit, M.; Michez, L.

2018-05-01

55Mn NMR was used to perform the atomic-scale study of the anisotropic properties of Mn5Ge3 /Ge(111) epitaxial films with thicknesses between 9 and 300 nm. The NMR spectra have been recorded as a function of strong external magnetic field applied in the film plane and perpendicular to it. Two 55Mn NMR resonances have been observed, corresponding to the two manganese sites 4 d and 6 g , in the hexagonal D 88 structure; in zero field their frequency is centered around 207.5 and 428 MHz, respectively. The anisotropy of 55Mn hyperfine fields between the hexagonal c direction and the c plane at both Mn sites was evidenced and attributed to the anisotropic term due to the unquenched Mn orbital momentum. The anisotropy of the orbital contribution to hyperfine fields was determined as 1.52 T in the 4 d site and up to 2.77 T in the 6 g site. The 4 d site reveals a quadrupolar interaction due to the strong electric field gradient: Vz z=5.3 ×1019V/m2 in this site, which is shown to be oriented along the hexagonal c axis.

A highly-sensitive label-free biosensor based on two dimensional photonic crystals with negative refraction

NASA Astrophysics Data System (ADS)

Malmir, Narges; Fasihi, Kiazand

2017-11-01

In this work, we present a novel high-sensitive optical label-free biosensor based on a two-dimensional photonic crystal (2D PC). The suggested structure is composed of a negative refraction structure in a hexagonal lattice PC, along with a positive refraction structure which is arranged in a square lattice PC. The frequency shift of the transmission peak is measured respect to the changes of refractive indices of the studied materials (the blood plasma, water, dry air and normal air). The studied materials are filled into a W1 line-defect waveguide which is located in the PC structure with positive refraction (the microfluidic nanochannel). Our numerical simulations, which are based on finite-difference time-domain (FDTD) method, show that in the proposed structure, a sensitivity about 1100 nm/RIU and a transmission efficiency more than 75% can be achieved. With this design, to the best of our knowledge, the obtained sensitivity and the transmission efficiency are one of the highest values in the reported PC label-free biosensors.

Resonant Zener tunneling in two-dimensional periodic photonic lattices.

PubMed

Desyatnikov, Anton S; Kivshar, Yuri S; Shchesnovich, Valery S; Cavalcanti, Solange B; Hickmann, Jandir M

2007-02-15

We study Zener tunneling in two-dimensional photonic lattices and derive, for the case of hexagonal symmetry, the generalized Landau-Zener-Majorana model describing resonant interaction between high-symmetry points of the photonic spectral bands. We demonstrate that this effect can be employed for the generation of Floquet-Bloch modes and verify the model by direct numerical simulations of the tunneling effect.

Structural and optical studies of hydrothermally synthesized MoS{sub 2} nanostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chacko, Levna; Swetha, A. K.; Aneesh, P. M., E-mail: aneeshpm@cukerala.ac.in

2016-05-06

Transition-metal dichalcogenides like molybdenum disulphide have intrigued intensive interest as two-dimensional (2D) materials beyond extensively studied graphene due to their unique electronic and optical properties. Here we report the hydrothermal synthesis of MoS{sub 2} nanostructures without the addition of any surfactants. The structural and optical properties of the synthesized samples were characterized by various techniques, including X-ray diffraction (XRD), UV-Vis absorption, photoluminescence (PL), and Raman analysis. XRD and Raman spectroscopic studies confirm the formation of hexagonal phase and well ordered stacking of S-Mo-S layers. The increased lattice parameters of MoS{sub 2} samples are due to the stress or strain inducedmore » bending and folding of the layers. The synthesized MoS{sub 2} nanostructures shows a large optical absorption in 300-700 nm region and strong luminescence at 640 nm. In addition, the optical results demonstrates the quantum confinement in layered d-electron material MoS{sub 2} that can lead to engineer its various properties for electronic and optoelectronic applications.« less

Bandgap renormalization and work function tuning in MoSe2/hBN/Ru(0001) heterostructures.

PubMed

Zhang, Qiang; Chen, Yuxuan; Zhang, Chendong; Pan, Chi-Ruei; Chou, Mei-Yin; Zeng, Changgan; Shih, Chih-Kang

2016-12-14

The van der Waals interaction in vertical heterostructures made of two-dimensional (2D) materials relaxes the requirement of lattice matching, therefore enabling great design flexibility to tailor novel 2D electronic systems. Here we report the successful growth of MoSe 2 on single-layer hexagonal boron nitride (hBN) on the Ru(0001) substrate using molecular beam epitaxy. Using scanning tunnelling microscopy and spectroscopy, we found that the quasi-particle bandgap of MoSe 2 on hBN/Ru is about 0.25 eV smaller than those on graphene or graphite substrates. We attribute this result to the strong interaction between hBN/Ru, which causes residual metallic screening from the substrate. In addition, the electronic structure and the work function of MoSe 2 are modulated electrostatically with an amplitude of ∼0.13 eV. Most interestingly, this electrostatic modulation is spatially in phase with the Moiré pattern of hBN on Ru(0001) whose surface also exhibits a work function modulation of the same amplitude.

Large-area growth of multi-layer hexagonal boron nitride on polished cobalt foils by plasma-assisted molecular beam epitaxy

PubMed Central

Xu, Zhongguang; Tian, Hao; Khanaki, Alireza; Zheng, Renjing; Suja, Mohammad; Liu, Jianlin

2017-01-01

Two-dimensional (2D) hexagonal boron nitride (h-BN), which has a similar honeycomb lattice structure to graphene, is promising as a dielectric material for a wide variety of potential applications based on 2D materials. Synthesis of high-quality, large-size and single-crystalline h-BN domains is of vital importance for fundamental research as well as practical applications. In this work, we report the growth of h-BN films on mechanically polished cobalt (Co) foils using plasma-assisted molecular beam epitaxy. Under appropriate growth conditions, the coverage of h-BN layers can be readily controlled by growth time. A large-area, multi-layer h-BN film with a thickness of 5~6 nm is confirmed by Raman spectroscopy, scanning electron microscopy, X-ray photoelectron spectroscopy and transmission electron microscopy. In addition, the size of h-BN single domains is 20~100 μm. Dielectric property of as-grown h-BN film is evaluated by characterization of Co(foil)/h-BN/Co(contact) capacitor devices. Breakdown electric field is in the range of 3.0~3.3 MV/cm, which indicates that the epitaxial h-BN film has good insulating characteristics. In addition, the effect of substrate morphology on h-BN growth is discussed regarding different domain density, lateral size, and thickness of the h-BN films grown on unpolished and polished Co foils. PMID:28230178

Single photon emission from plasma treated 2D hexagonal boron nitride.

PubMed

Xu, Zai-Quan; Elbadawi, Christopher; Tran, Toan Trong; Kianinia, Mehran; Li, Xiuling; Liu, Daobin; Hoffman, Timothy B; Nguyen, Minh; Kim, Sejeong; Edgar, James H; Wu, Xiaojun; Song, Li; Ali, Sajid; Ford, Mike; Toth, Milos; Aharonovich, Igor

2018-05-03

Artificial atomic systems in solids are becoming increasingly important building blocks in quantum information processing and scalable quantum nanophotonic networks. Amongst numerous candidates, 2D hexagonal boron nitride has recently emerged as a promising platform hosting single photon emitters. Here, we report a number of robust plasma and thermal annealing methods for fabrication of emitters in tape-exfoliated hexagonal boron nitride (hBN) crystals. A two-step process comprising Ar plasma etching and subsequent annealing in Ar is highly robust, and yields an eight-fold increase in the concentration of emitters in hBN. The initial plasma-etching step generates emitters that suffer from blinking and bleaching, whereas the two-step process yields emitters that are photostable at room temperature with emission wavelengths greater than ∼700 nm. Density functional theory modeling suggests that the emitters might be associated with defect complexes that contain oxygen. This is further confirmed by generating the emitters via annealing hBN in air. Our findings advance the present understanding of the structure of quantum emitters in hBN and enhance the nanofabrication toolkit needed to realize integrated quantum nanophotonic circuits.

Realization of Massive Relativistic Spin- 3 / 2 Rarita-Schwinger Quasiparticle in Condensed Matter Systems

NASA Astrophysics Data System (ADS)

Tang, Feng; Luo, Xi; Du, Yongping; Yu, Yue; Wan, Xiangang

Very recently, there has been significant progress in realizing high-energy particles in condensed matter system (CMS) such as the Dirac, Weyl and Majorana fermions. Besides the spin-1/2 particles, the spin-3/2 elementary particle, known as the Rarita-Schwinger (RS) fermion, has not been observed or simulated in the laboratory. The main obstacle of realizing RS fermion in CMS lies in the nontrivial constraints that eliminate the redundant degrees of freedom in its representation of the Poincaré group. In this Letter, we propose a generic method that automatically contains the constraints in the Hamiltonian and prove the RS modes always exist and can be separated from the other non-RS bands. Through symmetry considerations, we show that the two dimensional (2D) massive RS (M-RS) quasiparticle can emerge in several trigonal and hexagonal lattices. Based on ab initio calculations, we predict that the thin film of CaLiX (X=Ge and Si) may host 2D M-RS excitations near the Fermi level. and Collaborative Innovation Center of Advanced Microstructures, Nanjing 210093, China.

Structural Physics of Bee Honeycomb

NASA Astrophysics Data System (ADS)

Kaatz, Forrest; Bultheel, Adhemar; Egami, Takeshi

2008-03-01

Honeybee combs have aroused interest in the ability of honeybees to form regular hexagonal geometric constructs since ancient times. Here we use a real space technique based on the pair distribution function (PDF) and radial distribution function (RDF), and a reciprocal space method utilizing the Debye-Waller Factor (DWF) to quantify the order for a range of honeycombs made by Apis mellifera. The PDFs and RDFs are fit with a series of Gaussian curves. We characterize the order in the honeycomb using a real space order parameter, OP3, to describe the order in the combs and a two-dimensional Fourier transform from which a Debye-Waller order parameter, u, is derived. Both OP3 and u take values from [0, 1] where the value one represents perfect order. The analyzed combs have values of OP3 from 0.33 to 0.60 and values of u from 0.83 to 0.98. RDF fits of honeycomb histograms show that naturally made comb can be crystalline in a 2D ordered structural sense, yet is more `liquid-like' than cells made on `foundation' wax. We show that with the assistance of man-made foundation wax, honeybees can manufacture highly ordered arrays of hexagonal cells.

Ni foam assisted synthesis of high quality hexagonal boron nitride with large domain size and controllable thickness

NASA Astrophysics Data System (ADS)

Ying, Hao; Li, Xiuting; Li, Deshuai; Huang, Mingqiang; Wan, Wen; Yao, Qian; Chen, Xiangping; Wang, Zhiwei; Wu, Yanqing; Wang, Le; Chen, Shanshan

2018-04-01

The scalable synthesis of two-dimensional (2D) hexagonal boron nitride (h-BN) is of great interest for its numerous applications in novel electronic devices. Highly-crystalline h-BN films, with single-crystal sizes up to hundreds of microns, are demonstrated via a novel Ni foam assisted technique reported here for the first time. The nucleation density of h-BN domains can be significantly reduced due to the high boron solubility, as well as the large specific surface area of the Ni foam. The crystalline structure of the h-BN domains is found to be well aligned with, and therefore strongly dependent upon, the underlying Pt lattice orientation. Growth-time dependent experiments confirm the presence of a surface mediated self-limiting growth mechanism for monolayer h-BN on the Pt substrate. However, utilizing remote catalysis from the Ni foam, bilayer h-BN films can be synthesized breaking the self-limiting effect. This work provides further understanding of the mechanisms involved in the growth of h-BN and proposes a facile synthesis technique that may be applied to further applications in which control over the crystal alignment, and the numbers of layers is crucial.

Quantifying adsorption-induced deformation of nanoporous materials on different length scales

PubMed Central

Morak, Roland; Braxmeier, Stephan; Ludescher, Lukas; Hüsing, Nicola; Reichenauer, Gudrung

2017-01-01

A new in situ setup combining small-angle neutron scattering (SANS) and dilatometry was used to measure water-adsorption-induced deformation of a monolithic silica sample with hierarchical porosity. The sample exhibits a disordered framework consisting of macropores and struts containing two-dimensional hexagonally ordered cylindrical mesopores. The use of an H2O/D2O water mixture with zero scattering length density as an adsorptive allows a quantitative determination of the pore lattice strain from the shift of the corresponding diffraction peak. This radial strut deformation is compared with the simultaneously measured macroscopic length change of the sample with dilatometry, and differences between the two quantities are discussed on the basis of the deformation mechanisms effective at the different length scales. It is demonstrated that the SANS data also provide a facile way to quantitatively determine the adsorption isotherm of the material by evaluating the incoherent scattering contribution of H2O at large scattering vectors. PMID:29021735

Fabrication of Mesoporous Silica/Alumina Hybrid Membrane Film Nanocomposites using Template Sol-Gel Synthesis of Amphiphilic Triphenylene

NASA Astrophysics Data System (ADS)

Lintang, H. O.; Jalani, M. A.; Yuliati, L.; Salleh, M. M.

2017-05-01

Herein we reported that by introducing a one-dimensional (1D) substrate with a porous structure such as anodic aluminum oxide (AAO) membrane, mesoporous silica/alumina hybrid nanocomposites were successfully fabricated by using amphiphilic triphenylene (TPC10TEG) as a template in sol-gel synthesis (TPC10TEG/silicahex). For the optical study of the nanocomposites, TPC10TEG/silicahex showed absorption peak at 264 nm due to the ordered and long-range π-π stacking of the disc-like aromatic triphenylene core. Moreover, the hexagonal arrangement of TPC10TEG/silicahex was proven based on their diffraction peaks of d 100 and d 200 at 2θ = 2.52° and 5.04° and images of transmission electron microscopy (TEM), respectively. For fabrication of mesoporous silica/alumina hybrid membrane, TPC10TEG/silicahex was drop-casted onto AAO membrane for penetration into the porous structure via gravity. X-ray diffraction (XRD) analysis on the resulted hybrid nanocomposites showed that the diffraction peaks of d 100 and d 200 of TPC10TEG/silicahex were still preserved, indicating that the hexagonal arrangements of mesoporous silica were maintained even on AAO substrate. The morphology study on the hybrid nanocomposites using TEM, scanning electron microscope (SEM) and field emission scanning electron microscope (FE-SEM) showed the successful filling of most AAO channels with the TPC10TEG/silicahex nanocomposites.

Nucleation and growth mechanism of 2D SnS2 by chemical vapor deposition: initial 3D growth followed by 2D lateral growth

NASA Astrophysics Data System (ADS)

Zhang, Haodong; van Pelt, Thomas; Nalin Mehta, Ankit; Bender, Hugo; Radu, Iuliana; Caymax, Matty; Vandervorst, Wilfried; Delabie, Annelies

2018-07-01

Tin disulfide (SnS2) is a n-type semiconductor with a hexagonally layered crystal structure and has promising applications in nanoelectronics, optoelectronics and sensors. Such applications require the deposition of SnS2 with controlled crystallinity and thickness control at monolayer level on large area substrate. Here, we investigate the nucleation and growth mechanism of two-dimensional (2D) SnS2 by chemical vapor deposition (CVD) using SnCl4 and H2S as precursors. We find that the growth mechanism of 2D SnS2 is different from the classical layer-by-layer growth mode, by which monolayer-thin 2D transition metal dichalcogenides can be formed. In the initial nucleation stage, isolated 2D SnS2 domains of several monolayers high are formed. Next, 2D SnS2 crystals grow laterally while keeping a nearly constant height until layer closure is achieved, due to the higher reactivity of SnS2 crystal edges than basal planes. We infer that the thickness of the 2D SnS2 crystals is determined by the height of initial SnS2 islands. After layer closure, SnS2 grows on grain boundaries and results in 3D growth mode, accompanied by spiral growth. Our findings suggest an approach to prepare 2D SnS2 with a controlled thickness of several monolayers and add more knowledge on the nucleation and growth mechanism of 2D materials.

Membrane-Assisted Growth of DNA Origami Nanostructure Arrays

PubMed Central

2015-01-01

Biological membranes fulfill many important tasks within living organisms. In addition to separating cellular volumes, membranes confine the space available to membrane-associated proteins to two dimensions (2D), which greatly increases their probability to interact with each other and assemble into multiprotein complexes. We here employed two DNA origami structures functionalized with cholesterol moieties as membrane anchors—a three-layered rectangular block and a Y-shaped DNA structure—to mimic membrane-assisted assembly into hierarchical superstructures on supported lipid bilayers and small unilamellar vesicles. As designed, the DNA constructs adhered to the lipid bilayers mediated by the cholesterol anchors and diffused freely in 2D with diffusion coefficients depending on their size and number of cholesterol modifications. Different sets of multimerization oligonucleotides added to bilayer-bound origami block structures induced the growth of either linear polymers or two-dimensional lattices on the membrane. Y-shaped DNA origami structures associated into triskelion homotrimers and further assembled into weakly ordered arrays of hexagons and pentagons, which resembled the geometry of clathrin-coated pits. Our results demonstrate the potential to realize artificial self-assembling systems that mimic the hierarchical formation of polyhedral lattices on cytoplasmic membranes. PMID:25734977

Membrane-assisted growth of DNA origami nanostructure arrays.

PubMed

Kocabey, Samet; Kempter, Susanne; List, Jonathan; Xing, Yongzheng; Bae, Wooli; Schiffels, Daniel; Shih, William M; Simmel, Friedrich C; Liedl, Tim

2015-01-01

Biological membranes fulfill many important tasks within living organisms. In addition to separating cellular volumes, membranes confine the space available to membrane-associated proteins to two dimensions (2D), which greatly increases their probability to interact with each other and assemble into multiprotein complexes. We here employed two DNA origami structures functionalized with cholesterol moieties as membrane anchors--a three-layered rectangular block and a Y-shaped DNA structure--to mimic membrane-assisted assembly into hierarchical superstructures on supported lipid bilayers and small unilamellar vesicles. As designed, the DNA constructs adhered to the lipid bilayers mediated by the cholesterol anchors and diffused freely in 2D with diffusion coefficients depending on their size and number of cholesterol modifications. Different sets of multimerization oligonucleotides added to bilayer-bound origami block structures induced the growth of either linear polymers or two-dimensional lattices on the membrane. Y-shaped DNA origami structures associated into triskelion homotrimers and further assembled into weakly ordered arrays of hexagons and pentagons, which resembled the geometry of clathrin-coated pits. Our results demonstrate the potential to realize artificial self-assembling systems that mimic the hierarchical formation of polyhedral lattices on cytoplasmic membranes.

Two-dimensional wetting: the role of atomic steps on the nucleation of thin water films on BaF2(111) at ambient conditions.

PubMed

Cardellach, M; Verdaguer, A; Santiso, J; Fraxedas, J

2010-06-21

The interaction of water with freshly cleaved BaF(2)(111) surfaces at ambient conditions (room temperature and under controlled humidity) has been studied using scanning force microscopy in different operation modes. The images strongly suggest a high surface diffusion of water molecules on the surface indicated by the accumulation of water at step edges forming two-dimensional bilayered structures. Steps running along the 110 crystallographic directions show a high degree of hydrophilicity, as evidenced by small step-film contact angles, while steps running along other directions exhibiting a higher degree of kinks surprisingly behave in a quite opposite way. Our results prove that morphological defects such as steps can be crucial in improving two-dimensional monolayer wetting and stabilization of multilayer grown on surfaces that show good lattice mismatch with hexagonal ice.

Scalable solution-phase epitaxial growth of symmetry-mismatched heterostructures on two-dimensional crystal soft template.

PubMed

Lin, Zhaoyang; Yin, Anxiang; Mao, Jun; Xia, Yi; Kempf, Nicholas; He, Qiyuan; Wang, Yiliu; Chen, Chih-Yen; Zhang, Yanliang; Ozolins, Vidvuds; Ren, Zhifeng; Huang, Yu; Duan, Xiangfeng

2016-10-01

Epitaxial heterostructures with precisely controlled composition and electronic modulation are of central importance for electronics, optoelectronics, thermoelectrics, and catalysis. In general, epitaxial material growth requires identical or nearly identical crystal structures with small misfit in lattice symmetry and parameters and is typically achieved by vapor-phase depositions in vacuum. We report a scalable solution-phase growth of symmetry-mismatched PbSe/Bi 2 Se 3 epitaxial heterostructures by using two-dimensional (2D) Bi 2 Se 3 nanoplates as soft templates. The dangling bond-free surface of 2D Bi 2 Se 3 nanoplates guides the growth of PbSe crystal without requiring a one-to-one match in the atomic structure, which exerts minimal restriction on the epitaxial layer. With a layered structure and weak van der Waals interlayer interaction, the interface layer in the 2D Bi 2 Se 3 nanoplates can deform to accommodate incoming layer, thus functioning as a soft template for symmetry-mismatched epitaxial growth of cubic PbSe crystal on rhombohedral Bi 2 Se 3 nanoplates. We show that a solution chemistry approach can be readily used for the synthesis of gram-scale PbSe/Bi 2 Se 3 epitaxial heterostructures, in which the square PbSe (001) layer forms on the trigonal/hexagonal (0001) plane of Bi 2 Se 3 nanoplates. We further show that the resulted PbSe/Bi 2 Se 3 heterostructures can be readily processed into bulk pellet with considerably suppressed thermal conductivity (0.30 W/m·K at room temperature) while retaining respectable electrical conductivity, together delivering a thermoelectric figure of merit ZT three times higher than that of the pristine Bi 2 Se 3 nanoplates at 575 K. Our study demonstrates a unique epitaxy mode enabled by the 2D nanocrystal soft template via an affordable and scalable solution chemistry approach. It opens up new opportunities for the creation of diverse epitaxial heterostructures with highly disparate structures and functions.

Scalable solution-phase epitaxial growth of symmetry-mismatched heterostructures on two-dimensional crystal soft template

PubMed Central

Lin, Zhaoyang; Yin, Anxiang; Mao, Jun; Xia, Yi; Kempf, Nicholas; He, Qiyuan; Wang, Yiliu; Chen, Chih-Yen; Zhang, Yanliang; Ozolins, Vidvuds; Ren, Zhifeng; Huang, Yu; Duan, Xiangfeng

2016-01-01

Epitaxial heterostructures with precisely controlled composition and electronic modulation are of central importance for electronics, optoelectronics, thermoelectrics, and catalysis. In general, epitaxial material growth requires identical or nearly identical crystal structures with small misfit in lattice symmetry and parameters and is typically achieved by vapor-phase depositions in vacuum. We report a scalable solution-phase growth of symmetry-mismatched PbSe/Bi2Se3 epitaxial heterostructures by using two-dimensional (2D) Bi2Se3 nanoplates as soft templates. The dangling bond–free surface of 2D Bi2Se3 nanoplates guides the growth of PbSe crystal without requiring a one-to-one match in the atomic structure, which exerts minimal restriction on the epitaxial layer. With a layered structure and weak van der Waals interlayer interaction, the interface layer in the 2D Bi2Se3 nanoplates can deform to accommodate incoming layer, thus functioning as a soft template for symmetry-mismatched epitaxial growth of cubic PbSe crystal on rhombohedral Bi2Se3 nanoplates. We show that a solution chemistry approach can be readily used for the synthesis of gram-scale PbSe/Bi2Se3 epitaxial heterostructures, in which the square PbSe (001) layer forms on the trigonal/hexagonal (0001) plane of Bi2Se3 nanoplates. We further show that the resulted PbSe/Bi2Se3 heterostructures can be readily processed into bulk pellet with considerably suppressed thermal conductivity (0.30 W/m·K at room temperature) while retaining respectable electrical conductivity, together delivering a thermoelectric figure of merit ZT three times higher than that of the pristine Bi2Se3 nanoplates at 575 K. Our study demonstrates a unique epitaxy mode enabled by the 2D nanocrystal soft template via an affordable and scalable solution chemistry approach. It opens up new opportunities for the creation of diverse epitaxial heterostructures with highly disparate structures and functions. PMID:27730211

Magnetohydrodynamic cellular automata

NASA Technical Reports Server (NTRS)

Montgomery, David; Doolen, Gary D.

1987-01-01

A generalization of the hexagonal lattice gas model of Frisch, Hasslacher and Pomeau is shown to lead to two-dimensional magnetohydrodynamics. The method relies on the ideal point-wise conservation law for vector potential.

High electron mobility, quantum Hall effect and anomalous optical response in atomically thin InSe

NASA Astrophysics Data System (ADS)

Bandurin, Denis A.; Tyurnina, Anastasia V.; Yu, Geliang L.; Mishchenko, Artem; Zólyomi, Viktor; Morozov, Sergey V.; Kumar, Roshan Krishna; Gorbachev, Roman V.; Kudrynskyi, Zakhar R.; Pezzini, Sergio; Kovalyuk, Zakhar D.; Zeitler, Uli; Novoselov, Konstantin S.; Patanè, Amalia; Eaves, Laurence; Grigorieva, Irina V.; Fal'Ko, Vladimir I.; Geim, Andre K.; Cao, Yang

2017-03-01

A decade of intense research on two-dimensional (2D) atomic crystals has revealed that their properties can differ greatly from those of the parent compound. These differences are governed by changes in the band structure due to quantum confinement and are most profound if the underlying lattice symmetry changes. Here we report a high-quality 2D electron gas in few-layer InSe encapsulated in hexagonal boron nitride under an inert atmosphere. Carrier mobilities are found to exceed 103 cm2 V-1 s-1 and 104 cm2 V-1 s-1 at room and liquid-helium temperatures, respectively, allowing the observation of the fully developed quantum Hall effect. The conduction electrons occupy a single 2D subband and have a small effective mass. Photoluminescence spectroscopy reveals that the bandgap increases by more than 0.5 eV with decreasing the thickness from bulk to bilayer InSe. The band-edge optical response vanishes in monolayer InSe, which is attributed to the monolayer's mirror-plane symmetry. Encapsulated 2D InSe expands the family of graphene-like semiconductors and, in terms of quality, is competitive with atomically thin dichalcogenides and black phosphorus.

Three-Dimensional Finite Element Analysis on Stress Distribution of Internal Implant-Abutment Engagement Features.

PubMed

Cho, Sung-Yong; Huh, Yun-Hyuk; Park, Chan-Jin; Cho, Lee-Ra

To investigate the stress distribution in an implant-abutment complex with a preloaded abutment screw by comparing implant-abutment engagement features using three-dimensional finite element analysis (FEA). For FEA modeling, two implants-one with a single (S) engagement system and the other with a double (D) engagement system-were placed in the human mandibular molar region. Two types of abutments (hexagonal, conical) were connected to the implants. Different implant models (a single implant, two parallel implants, and mesial and tilted distal implants with 1-mm bone loss) were assumed. A static axial force and a 45-degree oblique force of 200 N were applied as the sum of vectors to the top of the prosthetic occlusal surface with a preload of 30 Ncm in the abutment screw. The von Mises stresses at the implant-abutment and abutment-screw interfaces were measured. In the single implant model, the S-conical abutment type exhibited broader stress distribution than the S-hexagonal abutment. In the double engagement system, the stress concentration was high in the lower contact area of the implant-abutment engagement. In the tilted implant model, the stress concentration point was different from that in the parallel implant model because of the difference in the bone level. The double engagement system demonstrated a high stress concentration at the lower contact area of the implant-abutment interface. To decrease the stress concentration, the type of engagement features of the implant-abutment connection should be carefully considered.

Morphology controlled synthesis of nanoporous Co3O4 nanostructures and their charge storage characteristics in supercapacitors.

PubMed

Deori, Kalyanjyoti; Ujjain, Sanjeev Kumar; Sharma, Raj Kishore; Deka, Sasanka

2013-11-13

Cubic spinel Co3O4 nanoparticles with spherical (0D) and hexagonal platelet (2D) morphologies were synthesized using a simple solvothermal method by tuning the reaction time. XRD and HRTEM analyses revealed pure phase with growth of Co3O4 particles along [111] and [110] directions. UV-vis studies showed two clear optical absorption peaks corresponding to two optical band gaps in the range of 400-500 nm and 700-800 nm, respectively, related to the ligand to metal charge transfer events (O(2-) → Co(2+,3+)). Under the electrochemical study in two electrode assembly system (Co3O4/KOH/Co3O4) without adding any large area support or a conductive filler, the hexagonal platelet Co3O4 particles exhibited comparatively better characteristics with high specific capacitance (476 F g(-1)), energy density 42.3 Wh kg(-1) and power density 1.56 kW kg(-1) at current density of 0.5 Ag(-1), that suited for potential applications in supercapacitors. The observed better electrochemical properties of the nanoporous Co3O4 particles is attributed to the layered platelet structural arrangement of the hexagonal platelet and the presence of exceptionally high numbers of regularly ordered pores.

Energy dissipation mechanism revealed by spatially resolved Raman thermometry of graphene/hexagonal boron nitride heterostructure devices

NASA Astrophysics Data System (ADS)

Kim, Daehee; Kim, Hanul; Yun, Wan Soo; Watanabe, Kenji; Taniguchi, Takashi; Rho, Heesuk; Bae, Myung-Ho

2018-04-01

Understanding the energy transport by charge carriers and phonons in two-dimensional (2D) van der Waals heterostructures is essential for the development of future energy-efficient 2D nanoelectronics. Here, we performed in situ spatially resolved Raman thermometry on an electrically biased graphene channel and its hBN substrate to study the energy dissipation mechanism in graphene/hBN heterostructures. By comparing the temperature profile along the biased graphene channel with that along the hBN substrate, we found that the thermal boundary resistance between the graphene and hBN was in the range of (1-2) ~ × 10-7 m2 K W-1 from ~100 °C to the onset of graphene break-down at ~600 °C in air. Consideration of an electro-thermal transport model together with the Raman thermometry conducted in air showed that a doping effect occurred under a strong electric field played a crucial role in the energy dissipation of the graphene/hBN device up to T ~ 600 °C.

Quasi-Two-Dimensional h-BN/β-Ga2O3 Heterostructure Metal-Insulator-Semiconductor Field-Effect Transistor.

PubMed

Kim, Janghyuk; Mastro, Michael A; Tadjer, Marko J; Kim, Jihyun

2017-06-28

β-gallium oxide (β-Ga 2 O 3 ) and hexagonal boron nitride (h-BN) heterostructure-based quasi-two-dimensional metal-insulator-semiconductor field-effect transistors (MISFETs) were demonstrated by integrating mechanical exfoliation of (quasi)-two-dimensional materials with a dry transfer process, wherein nanothin flakes of β-Ga 2 O 3 and h-BN were utilized as the channel and gate dielectric, respectively, of the MISFET. The h-BN dielectric, which has an extraordinarily flat and clean surface, provides a minimal density of charged impurities on the interface between β-Ga 2 O 3 and h-BN, resulting in superior device performances (maximum transconductance, on/off ratio, subthreshold swing, and threshold voltage) compared to those of the conventional back-gated configurations. Also, double-gating of the fabricated device was demonstrated by biasing both top and bottom gates, achieving the modulation of the threshold voltage. This heterostructured wide-band-gap nanodevice shows a new route toward stable and high-power nanoelectronic devices.

Interplay between topology and disorder in a two-dimensional semi-Dirac material

NASA Astrophysics Data System (ADS)

Sriluckshmy, P. V.; Saha, Kush; Moessner, Roderich

2018-01-01

We investigate the role of disorder in a two-dimensional semi-Dirac material characterized by a linear dispersion in one direction and a parabolic dispersion in the orthogonal direction. Using the self-consistent Born approximation, we show that disorder can drive a topological Lifshitz transition from an insulator to a semimetal, as it generates a momentum-independent off-diagonal contribution to the self-energy. Breaking time-reversal symmetry enriches the topological phase diagram with three distinct regimes—single-node trivial, two-node trivial, and two-node Chern. We find that disorder can drive topological transitions from both the single- and two-node trivial to the two-node Chern regime. We further analyze these transitions in an appropriate tight-binding Hamiltonian of an anisotropic hexagonal lattice by calculating the real-space Chern number. Additionally, we compute the disorder-averaged entanglement entropy which signals both the topological Lifshitz and Chern transition as a function of the anisotropy of the hexagonal lattice. Finally, we discuss experimental aspects of our results.

Thermal conductivity of ultra-thin chemical vapor deposited hexagonal boron nitride films

NASA Astrophysics Data System (ADS)

Alam, M. T.; Bresnehan, M. S.; Robinson, J. A.; Haque, M. A.

2014-01-01

Thermal conductivity of freestanding 10 nm and 20 nm thick chemical vapor deposited hexagonal boron nitride films was measured using both steady state and transient techniques. The measured value for both thicknesses, about 100 ± 10 W m-1 K-1, is lower than the bulk basal plane value (390 W m-1 K-1) due to the imperfections in the specimen microstructure. Impressively, this value is still 100 times higher than conventional dielectrics. Considering scalability and ease of integration, hexagonal boron nitride grown over large area is an excellent candidate for thermal management in two dimensional materials-based nanoelectronics.

Conical wave propagation and diffraction in two-dimensional hexagonally packed granular lattices

DOE PAGES

Chong, C.; Kevrekidis, P. G.; Ablowitz, M. J.; ...

2016-01-25

We explore linear and nonlinear mechanisms for conical wave propagation in two-dimensional lattices in the realm of phononic crystals. As a prototypical example, a statically compressed granular lattice of spherical particles arranged in a hexagonal packing configuration is analyzed. Upon identifying the dispersion relation of the underlying linear problem, the resulting diffraction properties are considered. Analysis both via a heuristic argument for the linear propagation of a wave packet and via asymptotic analysis leading to the derivation of a Dirac system suggests the occurrence of conical diffraction. This analysis is valid for strong precompression, i.e., near the linear regime. Formore » weak precompression, conical wave propagation is still possible, but the resulting expanding circular wave front is of a nonoscillatory nature, resulting from the complex interplay among the discreteness, nonlinearity, and geometry of the packing. Lastly, the transition between these two types of propagation is explored.« less

The single crystal elastic constants of hexagonal SiC to 1000 C

NASA Technical Reports Server (NTRS)

Li, Z.; Bradt, R. C.

1988-01-01

The relationships between the sound velocities in the cubic and hexagonal crystal structures and the tensor transformations for the two structures are applied to determine the elastic stiffnesses for the hexagonal structures of SiC to 1000 C. These results are then applied to calculate the polycrystalline elastic moduli, E and G, and their temperature variations. The calculated values for E and G at 20 C are 420 and 180 GPa; for (dE/dT) and (dG/dT), the values are -0.020 and -0.007 GPa/C, respectively.These agree well with published experimental values for E and G of dense polycrystalline alpha silicon carbides.

Mild hydrothermal crystal growth of new uranium(IV) fluorides, Na{sub 3.13}Mg{sub 1.43}U{sub 6}F{sub 30} and Na{sub 2.50}Mn{sub 1.75}U{sub 6}F{sub 30}: Structures, optical and magnetic properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua

Two new uranium(IV) fluorides, Na{sub 3.13}Mg{sub 1.43}U{sub 6}F{sub 30} (1) and Na{sub 2.50}Mn{sub 1.75}U{sub 6}F{sub 30} (2), were synthesized through an in situ mild hydrothermal route, and were structurally characterized by single crystal X-ray diffraction. The compounds exhibit complex crystal structures composed of corner- or edge-shared UF{sub 9} and MF{sub 6} (M=Mg, Mn) polyhedra, forming hexagonal channels in the three-dimensional framework, in which ordered or disordered divalent metal and sodium atoms reside. The large hexagonal voids contain the nearly regular M(II)F{sub 6} octahedra and sodium ions, whereas the small hexagonal cavities include M(II) and sodium ions on a mixed-occupied site.more » Magnetic susceptibility measurements yielded effective magnetic moments of 8.36 and 11.6 µ{sub B} for 1 and 2, respectively, confirming the presence and oxidation states of U(IV) and Mn(II). The large negative Weiss constants indicate the spin gap between a triplet and a singlet state in the U(IV). Magnetization data as a function of applied fields revealed that 2 exhibits paramagnetic behavior due to the nonmagnetic singlet ground state of U(IV) at low temperature. UV–vis diffuse reflectance and X-ray photoelectron spectroscopy data were also analyzed. - Graphical abstract: Two new quaternary U(IV) fluorides, Na{sub 3.13}Mg{sub 1.43}U{sub 6}F{sub 30} and Na{sub 2.50}Mn{sub 1.75}U{sub 6}F{sub 30}, were crystallized via an in situ reduction step of U(VI) to U(IV) under mild hydrothermal conditions. The compounds show complex crystal structures based on the 3-D building block of U{sub 6}F{sub 30}. Magnetic property measurements revealed that the U(IV) exhibits a nonmagnetic singlet ground state at low temperature with a spin gap. - Highlights: • Na{sub 3.13}Mg{sub 1.43}U{sub 6}F{sub 30} and Na{sub 2.50}Mn{sub 1.75}U{sub 6}F{sub 30} have been synthesized and characterized. • The U(IV) fluorides exhibit complex three-dimensional crystal structures. • The optical properties were investigated. • Magnetic susceptibility data were collected.« less

Electronic, Magnetic and Optical Properties of 2D Metal Nanolayers: A DFT Study

NASA Astrophysics Data System (ADS)

Bhuyan, Prabal Dev; Gupta, Sanjeev K.; Singh, Deobrat; Sonvane, Yogesh; Gajjar, P. N.

2018-03-01

In the recent work, we have investigated the structural, electronic, magnetic and optical properties of graphene-like hexagonal monolayers and multilayers (up to five layers) of 3d-transition metals Fe, Co and Ni based on spin-polarized density functional theory. Here, we have taken two types of pattern namely AA-stacking and AB-stacking for the calculations. The binding energy calculations show that the AA-type configuration is energetically more stable. The calculated binding energies of Fe, Co and Ni-bilayer monolayer are - 3.24, - 2.53 and - 1.94 eV, respectively. The electronic band structures show metallic behavior for all the systems and each configurations of Fe, Co and Ni-atoms. While, the quantum ballistic conductances of these metallic systems are found to be higher for pentalayer than other layered systems. The density of states confirms the ferromagnetic behavior of monolayers and multilayers of Fe and Co having negative spin polarizations. We have also calculated frequency dependent complex dielectric function, electronic energy loss spectrum and reflectance spectrum of monolayer to pentalayer metallic systems. The ferromagnetic material shows different permittivity tensor (ɛ), which is due to high spin magnetic moment for n-layered Fe and Co two-dimensional (2D) nanolayers. The theoretical investigation suggests that the electronic, magnetic and optical properties of 3d-transition metal nanolayers offers great promise for their use in spintronics nanodevices and magneto-optical nanodevices applications.

Structure and interactions in biomaterials based on membrane-biopolymer self-assembly

NASA Astrophysics Data System (ADS)

Koltover, Ilya

Physical and chemical properties of artificial pure lipid membranes have been extensively studied during the last two decades and are relatively well understood. However, most real membrane systems of biological and biotechnological importance incorporate macromolecules either embedded into the membranes or absorbed onto their surfaces. We have investigated three classes of self-assembled membrane-biopolymer biomaterials: (i) Structure, interactions and stability of the two-dimensional crystals of the integral membrane protein bacteriorhodopsin (bR). We have conducted a synchrotron x-ray diffraction study of oriented bR multilayers. The important findings were as follows: (1) the protein 2D lattice exhibited diffraction patterns characteristic of a 2D solid with power-law decay of in-plane positional correlations, which allowed to measure the elastic constants of protein crystal; (2) The crystal melting temperature was a function of the multilayer hydration, reflecting the effect of inter-membrane repulsion on the stability of protein lattice; (3) Preparation of nearly perfect (mosaicity < 0.04° ) multilayers of fused bR membranes permitted, for the first time, application of powerful interface-sensitive x-ray scattering techniques to a membrane-protein system. (ii) Interactions between the particles chemically attached or absorbed onto the surfaces of flexible giant phospholipid vesicles. Using video-enhanced light microscopy we have observed a membrane-distortion induced attraction between the particles with the interaction range of the order of particle diameter. Fluid membranes decorated with many particles exhibited: (i) a finite-sized two-dimensional closed packed aggregates and (ii) a one-dimensional ring-like aggregates. (iii) Structure, stability and interactions in the cationic lipid-DNA complexes. Cationic liposomes complexed with DNA are among the most promising synthetic non-viral carriers of DNA vectors currently used in gene therapy applications. We have established that DNA complexes with cationic lipid (DOTAP) and a neutral lipid (DOPC) have a compact multilayer liquid crystalline structure ( L ca ) with DNA intercalated between the lipid bilayers in a periodic 2D smectic phase. Furthermore, a different 2D columnar phase of complexes was found in mixtures with a transfectionen-hancing lipid DOPE. This structure ( HcII ) derived from synchrotron x-ray diffraction consists of DNA coated by cationic lipid monolayers and arranged on a two-dimensional hexagonal lattice. Optical microscopy revealed that the L ca complexes bind stably to anionic vesicles (models of cellular membranes), whereas the more transfectant HcII complexes are unstable, rapidly fusing and releasing DNA upon adhering to anionic vesicles.

Spacer-Directed Selective Assembly of Copper Square or Hexagon and Ring-Stacks or Coordination Nanotubes.

PubMed

Wu, Xialu; Ding, Nini; Zhang, Wenhua; Xue, Fei; Hor, T S Andy

2015-07-20

The use of simple self-assembly methods to direct or engineer porosity or channels of desirable functionality is a major challenge in the field of metal-organic frameworks. We herein report a series of frameworks by modifying square ring structure of [{Cu2(5-dmpy)2(L1)2(H2O)(MeOH)}2{ClO4}4]·4MeOH (1·4MeOH, 5-dmpy = 5,5'-dimethyl-2,2'-bipyridine, HL1 = 4-pyridinecarboxylic acid). Use of pyridyl carboxylates as directional spacers in bipyridyl chelated Cu(II) system led to the growth of square unit into other configurations, namely, square ring, square chain, and square tunnel. Another remarkable characteristic is that the novel use of two isomers of pyridinyl-acrylic acid directs selectively to two different extreme tubular forms-aligned stacking of discrete hexagonal rings and crack-free one-dimensional continuum polymers. This provides a unique example of two extreme forms of copper nanotubes from two isomeric spacers. All of the reactions are performed in a one-pot self-assembly process at room temperature, while the topological selectivity is exclusively determined by the skeletal characteristics of the spacers.

Stable monolayer honeycomb-like structures of RuX2 (X =S,Se)

NASA Astrophysics Data System (ADS)

Ersan, Fatih; Cahangirov, Seymur; Gökoǧlu, Gökhan; Rubio, Angel; Aktürk, Ethem

2016-10-01

Recent studies show that several metal oxides and dichalcogenides (M X2) , which exist in nature, can be stable in two-dimensional (2D) form and each year several new M X2 structures are explored. The unstable structures in H (hexagonal) or T (octahedral) forms can be stabilized through Peierls distortion. In this paper, we propose new 2D forms of RuS2 and RuSe2 materials. We investigate in detail the stability, electronic, magnetic, optical, and thermodynamic properties of 2D Ru X2 (X =S,Se) structures from first principles. While their H and T structures are unstable, the distorted T structures (T'-Ru X2) are stable and have a nonmagnetic semiconducting ground state. The molecular dynamic simulations also confirm that T'-Ru X2 systems are stable even at 500 K without any structural deformation. T'-RuS2 and T'-RuSe2 have indirect band gaps with 0.745 eV (1.694 eV with HSE) and 0.798 eV (1.675 eV with HSE) gap values, respectively. We also examine their bilayer and trilayer forms and find direct and smaller band gaps. We find that AA stacking is more favorable than the AB configuration. The new 2D materials obtained can be good candidates with striking properties for applications in semiconductor electronic, optoelectronic devices, and sensor technology.

Toward Edge-Defined Holey Boron Nitride Nanosheets

NASA Technical Reports Server (NTRS)

Lin, Yi; Liao, Yunlong; Chen, Zhongfan; Connell, John W.

2015-01-01

"Holey" two-dimensional (2D) nanosheets with well-defined holy morphology and edge chemistry are highly desirable for applications such as energy storage, catalysis, sensing, transistors, and molecular transport/separation. For example, holey grapheme is currently under extensive investigation for energy storage applications because of the improvement in ion transport due to through the thickness pathways provided by the holes. Without the holes, the 2D materials have significant limitations for such applications in which efficient ion transport is important. As part of an effort to apply this approach to other 2D nanomaterials, a method to etch geometrically defined pits or holes on the basal plane surface of hexagonal boron nitride (h-BN) nanosheets has been developed. The etching, conducted via heating in ambient air using metal nanoparticles as catalysts, was facile, controllable, and scalable. Starting h-BN layered crystals were etched and subsequently exfoliated into boron nitride nanosheets (BNNSs). The as-etched and exfoliated h-BN nanosheets possessed defined pit and hole shapes that were comprised of regulated nanostructures at the edges. The current finding are the first step toward the bulk preparation of holey BNNSs with defined holes and edges.

Vertical transport in graphene-hexagonal boron nitride heterostructure devices

PubMed Central

Bruzzone, Samantha; Logoteta, Demetrio; Fiori, Gianluca; Iannaccone, Giuseppe

2015-01-01

Research in graphene-based electronics is recently focusing on devices based on vertical heterostructures of two-dimensional materials. Here we use density functional theory and multiscale simulations to investigate the tunneling properties of single- and double-barrier structures with graphene and few-layer hexagonal boron nitride (h-BN) or hexagonal boron carbon nitride (h-BC2N). We find that tunneling through a single barrier exhibit a weak dependence on energy. We also show that in double barriers separated by a graphene layer we do not observe resonant tunneling, but a significant increase of the tunneling probability with respect to a single barrier of thickness equal to the sum of the two barriers. This is due to the fact that the graphene layer acts as an effective phase randomizer, suppressing resonant tunneling and effectively letting a double-barrier structure behave as two single-barriers in series. Finally, we use multiscale simulations to reproduce a current-voltage characteristics resembling that of a resonant tunneling diode, that has been experimentally observed in single barrier structure. The peak current is obtained when there is perfect matching between the densities of states of the cathode and anode graphene regions. PMID:26415656

Identifying the genes of unconventional high temperature superconductors.

PubMed

Hu, Jiangping

We elucidate a recently emergent framework in unifying the two families of high temperature (high [Formula: see text]) superconductors, cuprates and iron-based superconductors. The unification suggests that the latter is simply the counterpart of the former to realize robust extended s-wave pairing symmetries in a square lattice. The unification identifies that the key ingredients (gene) of high [Formula: see text] superconductors is a quasi two dimensional electronic environment in which the d -orbitals of cations that participate in strong in-plane couplings to the p -orbitals of anions are isolated near Fermi energy. With this gene, the superexchange magnetic interactions mediated by anions could maximize their contributions to superconductivity. Creating the gene requires special arrangements between local electronic structures and crystal lattice structures. The speciality explains why high [Formula: see text] superconductors are so rare. An explicit prediction is made to realize high [Formula: see text] superconductivity in Co/Ni-based materials with a quasi two dimensional hexagonal lattice structure formed by trigonal bipyramidal complexes.

A computationally efficient method for full-core conjugate heat transfer modeling of sodium fast reactors

DOE PAGES

Hu, Rui; Yu, Yiqi

2016-09-08

For efficient and accurate temperature predictions of sodium fast reactor structures, a 3-D full-core conjugate heat transfer modeling capability is developed for an advanced system analysis tool, SAM. The hexagon lattice core is modeled with 1-D parallel channels representing the subassembly flow, and 2-D duct walls and inter-assembly gaps. The six sides of the hexagon duct wall and near-wall coolant region are modeled separately to account for different temperatures and heat transfer between coolant flow and each side of the duct wall. The Jacobian Free Newton Krylov (JFNK) solution method is applied to solve the fluid and solid field simultaneouslymore » in a fully coupled fashion. The 3-D full-core conjugate heat transfer modeling capability in SAM has been demonstrated by a verification test problem with 7 fuel assemblies in a hexagon lattice layout. In addition, the SAM simulation results are compared with RANS-based CFD simulations. Very good agreements have been achieved between the results of the two approaches.« less

Chain Stretching and Order-Disorder Transitions in Block Copolymer Monolayers and Multilayers

NASA Astrophysics Data System (ADS)

Kramer, Edward J.; Mishra, Vindhya; Stein, Gila E.; Sohn, Karen E.; Hur, Sumi; Fredrickson, Glenn H.; Cochran, Eric W.

2009-03-01

Both monolayers of block copolymer cylinders and spheres undergo order to disorder transitions (ODT) at temperatures well below those of the bulk. Monolayers of PS-b-P2VP cylinders undergo a ``nematic'' to ``isotropic'' transition at temperatures about 20 K below the bulk ODT while monolayers of PS-b-P2VP with P2VP spheres undergo a 2D crystal to hexatic transition at least 10 K below the bulk ODT. Bilayers of each structure disorder at temperatures well above that of the monolayers. While one is tempted to attribute all of the difference to the fact that ordered monolayers are quasi 2 dimensional while bilayers are not, an alternative explanation exists. In the cylinder monolayer the corona PS chains must stretch to fill a nearly square cross-section domain rather than a hexagonal one in the bulk, while the corona PS chains in a sphere monolayer must stretch to fill a hexagonal prism rather than an octahedron in the bulk. The more non-uniform stretching of the chains in the monolayer should increase its free energy and decrease its order-disorder temperature.

Structure and property correlations in FeS

NASA Astrophysics Data System (ADS)

Kuhn, S. J.; Kidder, M. K.; Parker, D. S.; dela Cruz, C.; McGuire, M. A.; Chance, W. M.; Li, Li; Debeer-Schmitt, L.; Ermentrout, J.; Littrell, K. C.; Eskildsen, M. R.; Sefat, A. S.

2017-03-01

For iron-sulfide (FeS), we investigate the correlation between the structural details, including its dimensionality and composition, with its magnetic and superconducting properties. We compare, theoretically and experimentally, the two-dimensional (2D) layered tetragonal (;t-FeS;) phase with the 3D hexagonal ("h-FeS") phase. X-ray diffraction reveals iron-deficient chemical compositions of t-Fe0.93(1)S and h-Fe0.84(1)S that show no low-temperature structural transitions. First-principles calculations reveal a high sensitivity of the 2D structure to the electronic and magnetic properties, predicting marginal antiferromagnetic instability for our compound (sulfur height of zS = 0.252) with an ordering energy of about 11 meV/Fe, while the 3D phase is magnetically stable. Experimentally, h-Fe0.84S orders magnetically well above room temperature, while t-Fe0.93S shows coexistence of antiferromagnetism at TN = 116 and filamentary superconductivity below Tc = 4 K. Low temperature neutron diffraction data reveals antiferromagnetic commensurate ordering with wave vector km = (0.25,0.25,0) and 0.46(2) μB/Fe. Additionally, neutron scattering measurements were used to find the particle size and iron vacancy arrangement of t-FeS and h-FeS. The structure of iron sulfide has a delicate relationship with the superconducting transition; while our sample with a = 3.6772(7) Å is a filamentary superconductor coexisting with an antiferromagnetic phase, previously reported samples with a > 3.68 Å are bulk superconductors with no magnetism, and those with a ≈ 3.674 Å show magnetic properties.

Characterization of iron ferromagnetism by the local atomic volume: from three-dimensional structures to isolated atoms.

PubMed

Zhang, Lei; Sob, M; Wu, Zhe; Zhang, Ying; Lu, Guang-Hong

2014-02-26

We present a comprehensive study of the relationship between the ferromagnetism and the structural properties of Fe systems from three-dimensional ones to isolated atoms based on the spin-density functional theory. We have found a relation between the magnetic moment and the volume of the Voronoi polyhedron, determining, in most cases, the value of the total magnetic moment as a function of this volume with an average accuracy of ±0.28 μ(B) and of the 3d magnetic moment with an average accuracy of ±0.07 μ(B) when the atomic volume is larger than 22 ų. It is demonstrated that this approach is applicable for many three-dimensional systems, including high-symmetry structures of perfect body-centered cubic (bcc), face-centered cubic (fcc), hexagonal close-packed (hcp), double hexagonal close-packed (dhcp), and simple cubic (sc) crystals, as well as for lower-symmetry ones, for example atoms near a grain boundary (GB) or a surface, around a vacancy or in a linear chain (for low-dimensional cases, we provide a generalized definition of the Voronoi polyhedron). Also, we extend the validity of the Stoner model to low-dimensional structures, such as atomic chains, free-standing monolayers and surfaces, determining the Stoner parameter for these systems. The ratio of the 3d-exchange splitting to the magnetic moment, corresponding to the Stoner parameter, is found to be I(3d) = (0.998 ± 0.006) eV /μ(B) for magnetic moments up to 3.0 μ(B). Further, the 3d exchange splitting changes nearly linearly in the region of higher magnetic moments (3.0-4.0 μ(B)) and the corresponding Stoner exchange parameter equals I(h)(3d) = (0.272 ± 0.006) eV /μ(B). The existence of these two regions reflects the fact that, with increasing Voronoi volume, the 3d bands separate first and, consequently, the 3d magnetic moment increases. When the Voronoi volume is sufficiently large (≥22 ų), the separation of the 3d bands is complete and the magnetic moment reaches a value of 3.0 μ(B). Then, when the volume further increases, the 4s bands start to separate, increasing thus the 4s magnetic moment. Surprisingly, in the region of higher magnetic moments (≥3.0 μ(B)), there is also a linear relationship between the 4s exchange splitting and the total magnetic moment with a slope of I(h)(4s) = (1.053 ± 0.016) eV /μ(B), which is nearly identical to I(3d) for magnetic moments up to 3.0 μB. These linear relations can be considered as an extension of the Stoner model for low-dimensional systems.

Three Dimensional Characterization of Tin Crystallography and Cu6Sn5 Intermetallics in Solder Joints by Multiscale Tomography

NASA Astrophysics Data System (ADS)

Kirubanandham, A.; Lujan-Regalado, I.; Vallabhaneni, R.; Chawla, N.

2016-11-01

Decreasing pitch size in electronic packaging has resulted in a drastic decrease in solder volumes. The Sn grain crystallography and fraction of intermetallic compounds (IMCs) in small-scale solder joints evolve much differently at the smaller length scales. A cross-sectional study limits the morphological analysis of microstructural features to two dimensions. This study utilizes serial sectioning technique in conjunction with electron backscatter diffraction to investigate the crystallographic orientation of both Sn grains and Cu6Sn5 IMCs in Cu/Pure Sn/Cu solder joints in three dimensional (3D). Quantification of grain aspect ratio is affected by local cooling rate differences within the solder volume. Backscatter electron imaging and focused ion beam serial sectioning enabled the visualization of morphology of both nanosized Cu6Sn5 IMCs and the hollow hexagonal morphology type Cu6Sn5 IMCs in 3D. Quantification and visualization of microstructural features in 3D thus enable us to better understand the microstructure and deformation mechanics within these small scale solder joints.

Two-dimensional silica opens new perspectives

NASA Astrophysics Data System (ADS)

Büchner, Christin; Heyde, Markus

2017-12-01

In recent years, silica films have emerged as a novel class of two-dimensional (2D) materials. Several groups succeeded in epitaxial growth of ultrathin SiO2 layers using different growth methods and various substrates. The structures consist of tetrahedral [SiO4] building blocks in two mirror symmetrical planes, connected via oxygen bridges. This arrangement is called a silica bilayer as it is the thinnest 2D arrangement with the stoichiometry SiO2 known today. With all bonds saturated within the nano-sheet, the interaction with the substrate is based on van der Waals forces. Complex ring networks are observed, including hexagonal honeycomb lattices, point defects and domain boundaries, as well as amorphous domains. The network structures are highly tuneable through variation of the substrate, deposition parameters, cooling procedure, introducing dopants or intercalating small species. The amorphous networks and structural defects were resolved with atomic resolution microscopy and modeled with density functional theory and molecular dynamics. Such data contribute to our understanding of the formation and characteristic motifs of glassy systems. Growth studies and doping with other chemical elements reveal ways to tune ring sizes and defects as well as chemical reactivities. The pristine films have been utilized as molecular sieves and for confining molecules in nanocatalysis. Post growth hydroxylation can be used to tweak the reactivity as well. The electronic properties of silica bilayers are favourable for using silica as insulators in 2D material stacks. Due to the fully saturated atomic structure, the bilayer interacts weakly with the substrate and can be described as quasi-freestanding. Recently, a mm-scale film transfer under structure retention has been demonstrated. The chemical and mechanical stability of silica bilayers is very promising for technological applications in 2D heterostacks. Due to the impact of this bilayer system for glass science, catalysis and the field of 2D materials, a large number of theoretical and experimental studies on silica bilayers have been reported in the last years. This review aims to provide an overview on the insights gained on this material and to point out opportunities for further discovery in various fields.

Two-dimensional materials as catalysts for energy conversion

DOE PAGES

Siahrostami, Samira; Tsai, Charlie; Karamad, Mohammadreza; ...

2016-08-24

Although large efforts have been dedicated to studying two-dimensional materials for catalysis, a rationalization of the associated trends in their intrinsic activity has so far been elusive. In the present work we employ density functional theory to examine a variety of two-dimensional materials, including, carbon based materials, hexagonal boron nitride ( h-BN), transition metal dichalcogenides (e.g. MoS 2, MoSe 2) and layered oxides, to give an overview of the trends in adsorption energies. By examining key reaction intermediates relevant to the oxygen reduction, and oxygen evolution reactions we find that binding energies largely follow the linear scaling relationships observed formore » pure metals. Here, this observation is very important as it suggests that the same simplifying assumptions made to correlate descriptors with reaction rates in transition metal catalysts are also valid for the studied two-dimensional materials. By means of these scaling relations, for each reaction we also identify several promising candidates that are predicted to exhibit a comparable activity to the state-of-the-art catalysts.« less

Two-Dimensional Graphene-Gold Interfaces Serve as Robust Templates for Dielectric Capacitors.

PubMed

Teshome, Tamiru; Datta, Ayan

2017-10-04

The electronic structures of novel heterostructures, namely, graphene-Au van der Waals (vdW) interfaces, have been studied using density functional theory. Dispersion-corrected PBE-D2 functionals are used to describe the phonon spectrum and binding energies. Ab initio molecular dynamics simulations reveal that the vdW framework is preserved till 1200 K. Beyond T = 1200 K, a transition of the quasiplanar Au into the three-dimensional cluster-like structure is observed. A dielectric capacitor is designed by placing 1-4 hexagonal boron nitride (h-BN) monolayers between graphene and Au conductive plates. Charge separation between the Au and graphene plates is carried out under the effect of an external field normal to the graphene-h-BN-Au interface. The gravimetric capacitances are computed as C 1 = 7.6 μF/g and C 2 = 3.2 μF/g for h-BN bilayers with the Au-graphene heterostructures. The capacitive behavior shows strong deviations from the classical charging models and exemplifies the importance of quantum phenomenon at short contacts, which eventually nullifies at large interelectrode distances. The graphene-Au interface is predicted to be an exciting vdW heterostructure with a potential application as a dielectric capacitor.

High antiferromagnetic transition temperature of a honeycomb compound SrRu 2O 6

DOE PAGES

Tian, Wei; Svoboda, Chris; Ochi, M.; ...

2015-09-14

We study the high-temperature magnetic order in a quasi-two-dimensional honeycomb compound SrRu 2O 6 by measuring magnetization and neutron powder diffraction with both polarized and unpolarized neutrons. SrRu 2O 6 crystallizes into the hexagonal lead antimonate (PbSb 2O 6, space group P31m) structure with layers of edge-sharing RuO6 octahedra separated by Sr 2+ ions. SrRu 2O 6 is found to order at T N = 565 K with Ru moments coupled antiferromagnetically both in plane and out of plane. The magnetic moment is 1.30(2) μ B/Ru at room temperature and is along the crystallographic c axis in the G-type magneticmore » structure. We perform density functional calculations with constrained random-phase approximation (RPA) to obtain the electronic structure and effective intra- and interorbital interaction parameters. The projected density of states shows strong hybridization between Ru 4d and O 2p. By downfolding to the target t 2g bands we extract the effective magnetic Hamiltonian and perform Monte Carlo simulations to determine the transition temperature as a function of interand intraplane couplings. We find a weak interplane coupling, 3% of the strong intraplane coupling, permits three-dimensional magnetic order at the observed T N .« less

Giant spin-splitting and gap renormalization driven by trions in single-layer WS2/h-BN heterostructures

NASA Astrophysics Data System (ADS)

Katoch, Jyoti; Ulstrup, Søren; Koch, Roland J.; Moser, Simon; McCreary, Kathleen M.; Singh, Simranjeet; Xu, Jinsong; Jonker, Berend T.; Kawakami, Roland K.; Bostwick, Aaron; Rotenberg, Eli; Jozwiak, Chris

2018-04-01

In two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs), new electronic phenomena such as tunable bandgaps1-3 and strongly bound excitons and trions emerge from strong many-body effects4-6, beyond the spin and valley degrees of freedom induced by spin-orbit coupling and by lattice symmetry7. Combining single-layer TMDs with other 2D materials in van der Waals heterostructures offers an intriguing means of controlling the electronic properties through these many-body effects, by means of engineered interlayer interactions8-10. Here, we use micro-focused angle-resolved photoemission spectroscopy (microARPES) and in situ surface doping to manipulate the electronic structure of single-layer WS2 on hexagonal boron nitride (WS2/h-BN). Upon electron doping, we observe an unexpected giant renormalization of the spin-orbit splitting of the single-layer WS2 valence band, from 430 meV to 660 meV, together with a bandgap reduction of at least 325 meV, attributed to the formation of trionic quasiparticles. These findings suggest that the electronic, spintronic and excitonic properties are widely tunable in 2D TMD/h-BN heterostructures, as these are intimately linked to the quasiparticle dynamics of the materials11-13.

Spatially-resolved studies on the role of defects and boundaries in electronic behavior of 2D materials

NASA Astrophysics Data System (ADS)

Hus, Saban M.; Li, An-Ping

2017-08-01

Two-dimensional (2D) materials are intrinsically heterogeneous. Both localized defects, such as vacancies and dopants, and mesoscopic boundaries, such as surfaces and interfaces, give rise to compositional or structural heterogeneities. The presence of defects and boundaries can break lattice symmetry, modify the energy landscape, and create quantum confinement, leading to fascinating electronic properties different from the ;ideal; 2D sheets. This review summarizes recent progress in understanding the roles of defects and boundaries in electronic, magnetic, thermoelectric, and transport properties of 2D layered materials. The focus is on the understanding of correlation of atomic-scale structural information with electronic functions by interrogating heterogeneities individually. The materials concerned are graphene, transition metal dichalcogenides (TMDs), hexagonal boron nitride (hBN), and topological insulators (TIs). The experimental investigations benefit from new methodologies and techniques in scanning tunneling microscopy (STM), including spin-polarized STM, scanning tunneling potentiometry (STP), scanning tunneling thermopower microscopy, and multi-probe STM. The experimental effort is complemented by the computational and theoretical approaches, capable of discriminating between closely competing states and achieving the length scales necessary to bridge across features such as local defects and complex heterostructures. The goal is to provide a general view of current understanding and challenges in studying the heterogeneities in 2D materials and to evaluate the potential of controlling and exploiting these heterogeneities for novel functionalities and electron devices.

Pattern formation in superdiffusion Oregonator model

NASA Astrophysics Data System (ADS)

Feng, Fan; Yan, Jia; Liu, Fu-Cheng; He, Ya-Feng

2016-10-01

Pattern formations in an Oregonator model with superdiffusion are studied in two-dimensional (2D) numerical simulations. Stability analyses are performed by applying Fourier and Laplace transforms to the space fractional reaction-diffusion systems. Antispiral, stable turing patterns, and travelling patterns are observed by changing the diffusion index of the activator. Analyses of Floquet multipliers show that the limit cycle solution loses stability at the wave number of the primitive vector of the travelling hexagonal pattern. We also observed a transition between antispiral and spiral by changing the diffusion index of the inhibitor. Project supported by the National Natural Science Foundation of China (Grant Nos. 11205044 and 11405042), the Research Foundation of Education Bureau of Hebei Province, China (Grant Nos. Y2012009 and ZD2015025), the Program for Young Principal Investigators of Hebei Province, China, and the Midwest Universities Comprehensive Strength Promotion Project.

MoTe2, A novel anode material for sodium ion battery

NASA Astrophysics Data System (ADS)

Panda, Manas Ranjan; Anish Raj, K.; Bao, Qiaoliang; Mitra, Sagar

2018-04-01

2D layered transition metal dichalcogenides are considered as a potential anode for sodium-ion batteries due to their high specific capacity, structural stability and its well-developed two-dimensional layers. 2D layered structure Molybdenum ditelluride (MoTe2) provides a superior Na-ion storage properties in sodium ion battery due to its comparative more interlayer spacing (0.699 nm). In the current study MoTe2 polycrystalline powder sample has been prepared by solid state reaction process, the structural and morphological studies have been carried out by XRD, FE-SEM and EDS etc. XRD study revealsthe well crystalline structure of the material having hexagonal structure. FE-SEM and EDS studies depict the uniformflakes like structure of the material. When it is tested as sodium-ion battery anode by applying a potential window 0.1-2.5 V, the material demonstrates a high capacity and high power performances. The as prepared MoTe2 shows an initial discharge capacity of 376 mA h g-1 and a corresponding discharge capacity of 303 mA h g-1 after the 50th cycle at a current density of 500 mA g-1.

Nodal Green’s Function Method Singular Source Term and Burnable Poison Treatment in Hexagonal Geometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

A.A. Bingham; R.M. Ferrer; A.M. ougouag

2009-09-01

An accurate and computationally efficient two or three-dimensional neutron diffusion model will be necessary for the development, safety parameters computation, and fuel cycle analysis of a prismatic Very High Temperature Reactor (VHTR) design under Next Generation Nuclear Plant Project (NGNP). For this purpose, an analytical nodal Green’s function solution for the transverse integrated neutron diffusion equation is developed in two and three-dimensional hexagonal geometry. This scheme is incorporated into HEXPEDITE, a code first developed by Fitzpatrick and Ougouag. HEXPEDITE neglects non-physical discontinuity terms that arise in the transverse leakage due to the transverse integration procedure application to hexagonal geometry andmore » cannot account for the effects of burnable poisons across nodal boundaries. The test code being developed for this document accounts for these terms by maintaining an inventory of neutrons by using the nodal balance equation as a constraint of the neutron flux equation. The method developed in this report is intended to restore neutron conservation and increase the accuracy of the code by adding these terms to the transverse integrated flux solution and applying the nodal Green’s function solution to the resulting equation to derive a semi-analytical solution.« less

Discrete breathers in a two-dimensional hexagonal Fermi Pasta Ulam lattice

NASA Astrophysics Data System (ADS)

Butt, Imran A.; Wattis, Jonathan A. D.

2007-02-01

We consider a two-dimensional Fermi-Pasta-Ulam (FPU) lattice with hexagonal symmetry. Using asymptotic methods based on small amplitude ansatz, at third order we obtain a reduction to a cubic nonlinear Schrödinger equation (NLS) for the breather envelope. However, this does not support stable soliton solutions, so we pursue a higher order analysis yielding a generalized NLS, which includes known stabilizing terms. We present numerical results which suggest that long-lived stationary and moving breathers are supported by the lattice. We find breather solutions which move in an arbitrary direction, an ellipticity criterion for the wavenumbers of the carrier wave, asymptotic estimates for the breather energy, and a minimum threshold energy below which breathers cannot be found. This energy threshold is maximized for stationary breathers and becomes vanishingly small near the boundary of the elliptic domain where breathers attain a maximum speed. Several of the results obtained are similar to those obtained for the square FPU lattice (Butt and Wattis 2006 J. Phys. A: Math. Gen. 39 4955), though we find that the square and hexagonal lattices exhibit different properties in regard to the generation of harmonics, and the isotropy of the generalized NLS equation.

Electronic properties of hexagonal gallium phosphide: A DFT investigation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Vipin; Shah, Esha V.; Roy, Debesh R., E-mail: drr@ashd.svnit.ac.in

2016-05-23

A detail density functional investigation is performed to develop hexagonal 2D gallium phosphide material. The geometry, band structure and density of states (total and projected) of 2D hexagonal GaP are reported in detail. It is heartening to note that the developed material is identified as an indirect band gap semiconductor. The indirect gap for this material is predicted as 1.97 eV at K-Γ, and a direct gap of 2.28 eV at K point is achieved, which is very close to the reported direct band gap for zinc blende and buckled structures of GaP.

Photoluminescence Segmentation within Individual Hexagonal Monolayer Tungsten Disulfide Domains Grown by Chemical Vapor Deposition.

PubMed

Sheng, Yuewen; Wang, Xiaochen; Fujisawa, Kazunori; Ying, Siqi; Elias, Ana Laura; Lin, Zhong; Xu, Wenshuo; Zhou, Yingqiu; Korsunsky, Alexander M; Bhaskaran, Harish; Terrones, Mauricio; Warner, Jamie H

2017-05-03

We show that hexagonal domains of monolayer tungsten disulfide (WS 2 ) grown by chemical vapor deposition (CVD) with powder precursors can have discrete segmentation in their photoluminescence (PL) emission intensity, forming symmetric patterns with alternating bright and dark regions. Two-dimensional maps of the PL reveal significant reduction within the segments associated with the longest sides of the hexagonal domains. Analysis of the PL spectra shows differences in the exciton to trion ratio, indicating variations in the exciton recombination dynamics. Monolayers of WS 2 hexagonal islands transferred to new substrates still exhibit this PL segmentation, ruling out local strain in the regions as the dominant cause. High-power laser irradiation causes preferential degradation of the bright segments by sulfur removal, indicating the presence of a more defective region that is higher in oxidative reactivity. Atomic force microscopy (AFM) images of topography and amplitude modes show uniform thickness of the WS 2 domains and no signs of segmentation. However, AFM phase maps do show the same segmentation of the domain as the PL maps and indicate that it is caused by some kind of structural difference that we could not clearly identify. These results provide important insights into the spatially varying properties of these CVD-grown transition metal dichalcogenide materials, which may be important for their effective implementation in fast photo sensors and optical switches.

Benchmark of Atucha-2 PHWR RELAP5-3D control rod model by Monte Carlo MCNP5 core calculation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pecchia, M.; D'Auria, F.; Mazzantini, O.

2012-07-01

Atucha-2 is a Siemens-designed PHWR reactor under construction in the Republic of Argentina. Its geometrical complexity and peculiarities require the adoption of advanced Monte Carlo codes for performing realistic neutronic simulations. Therefore core models of Atucha-2 PHWR were developed using MCNP5. In this work a methodology was set up to collect the flux in the hexagonal mesh by which the Atucha-2 core is represented. The scope of this activity is to evaluate the effect of obliquely inserted control rod on neutron flux in order to validate the RELAP5-3D{sup C}/NESTLE three dimensional neutron kinetic coupled thermal-hydraulic model, applied by GRNSPG/UNIPI formore » performing selected transients of Chapter 15 FSAR of Atucha-2. (authors)« less

Bronze-mean hexagonal quasicrystal

NASA Astrophysics Data System (ADS)

Dotera, Tomonari; Bekku, Shinichi; Ziherl, Primož

2017-10-01

The most striking feature of conventional quasicrystals is their non-traditional symmetry characterized by icosahedral, dodecagonal, decagonal or octagonal axes. The symmetry and the aperiodicity of these materials stem from an irrational ratio of two or more length scales controlling their structure, the best-known examples being the Penrose and the Ammann-Beenker tiling as two-dimensional models related to the golden and the silver mean, respectively. Surprisingly, no other metallic-mean tilings have been discovered so far. Here we propose a self-similar bronze-mean hexagonal pattern, which may be viewed as a projection of a higher-dimensional periodic lattice with a Koch-like snowflake projection window. We use numerical simulations to demonstrate that a disordered variant of this quasicrystal can be materialized in soft polymeric colloidal particles with a core-shell architecture. Moreover, by varying the geometry of the pattern we generate a continuous sequence of structures, which provide an alternative interpretation of quasicrystalline approximants observed in several metal-silicon alloys.

Current trends on 2D materials for photonics devices: an NSF perspective (Conference Presentation)

NASA Astrophysics Data System (ADS)

Fallahi, Mahmoud

2017-05-01

Recent advancements in two-dimensional (2D) materials have opened significant research opportunities in optics and photonics. While the initial focus on 2D materials was on Graphene, new generation of 2D materials such as hexagonal boron nitride (h-BN), transition metal dichalcogenides (TMDCs), monolayer black phosphorous (BP) and other monolayer structures have shown unique electrical and optical properties. For example, h-BN is an insulator, while monolayers of some TMDCs such as MoS2 and WSe2 are direct band-gap semiconductors. Depending on the choice of material compositional and layer variations their optical properties can be engineered, making them particularly attractive as novel light sources, photodetectors, modulators and photovoltaic components, in particular for few photon applications. Plasmonic properties of 2D materials make them suitable for nanophotonics and monolithic integration with other conventional materials. The National Science Foundation (NSF) is a US federal agency dedicated to promote progress of science and engineering. NSF is the funding source for approximately 24 percent of all federally supported basic research conducted by America's colleges and universities. NSF has recently supported several initiatives related to novel 2D material and device research. In this talk, I will first give an overview of the NSF programs and funding opportunities. The second part of the talk will be focused on the programs related to 2D materials for photonic devices and program specific initiatives. Several highlights of the recent achievements and awards in the field of 2D materials for photonic devices will be presented.

Floating-Gate Manipulated Graphene-Black Phosphorus Heterojunction for Nonvolatile Ambipolar Schottky Junction Memories, Memory Inverter Circuits, and Logic Rectifiers.

PubMed

Li, Dong; Chen, Mingyuan; Zong, Qijun; Zhang, Zengxing

2017-10-11

The Schottky junction is an important unit in electronics and optoelectronics. However, its properties greatly degrade with device miniaturization. The fast development of circuits has fueled a rapid growth in the study of two-dimensional (2D) crystals, which may lead to breakthroughs in the semiconductor industry. Here we report a floating-gate manipulated nonvolatile ambipolar Schottky junction memory from stacked all-2D layers of graphene-BP/h-BN/graphene (BP, black phosphorus; h-BN, hexagonal boron nitride) in a designed floating-gate field-effect Schottky barrier transistor configuration. By manipulating the voltage pulse applied to the control gate, the device exhibits ambipolar characteristics and can be tuned to act as graphene-p-BP or graphene-n-BP junctions with reverse rectification behavior. Moreover, the junction exhibits good storability properties of more than 10 years and is also programmable. On the basis of these characteristics, we further demonstrate the application of the device to dual-mode nonvolatile Schottky junction memories, memory inverter circuits, and logic rectifiers.

Quasi-two-dimensional spin correlations in the triangular lattice bilayer spin glass LuCoGaO 4

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fritsch, Katharina; Ross, Kathyrn A.; Granroth, Garrett E.

Here we present a single-crystal time-of-flight neutron scattering study of the static and dynamic spin correlations in LuCoGaO 4, a quasi-two-dimensional dilute triangular lattice antiferromagnetic spin-glass material. This system is based on Co 2+ ions that are randomly distributed on triangular bilayers within the YbFe 2O 4 type, hexagonal crystal structure. Antiferromagnetic short-range two-dimensional correlations at wave vectors Q = (1/3,1/3, L) develop within the bilayers at temperatures as high as |Θ CW| ~100 K and extend over roughly five unit cells at temperatures below T g = 19 K. These two-dimensional static correlations are observed as diffuse rods ofmore » neutron scattering intensity along c * and display a continuous spin freezing process in their energy dependence. Aside from exhibiting these typical spin-glass characteristics, this insulating material reveals a novel gapped magnetic resonant spin excitation at ΔE ~12 meV localized around Q = (1 / 3, 1 / 3,L) . The temperature dependence of the spin gap associated with this two-dimensional excitation correlates with the evolution of the static correlations into the spin-glass state ground state. Lastly, we associate it with the effect of the staggered exchange field acting on the S eff = 1/2 Ising-like doublet of the Co 2+ moments.« less

Quasi-two-dimensional spin correlations in the triangular lattice bilayer spin glass LuCoGaO 4

DOE PAGES

Fritsch, Katharina; Ross, Kathyrn A.; Granroth, Garrett E.; ...

2017-09-13

Here we present a single-crystal time-of-flight neutron scattering study of the static and dynamic spin correlations in LuCoGaO 4, a quasi-two-dimensional dilute triangular lattice antiferromagnetic spin-glass material. This system is based on Co 2+ ions that are randomly distributed on triangular bilayers within the YbFe 2O 4 type, hexagonal crystal structure. Antiferromagnetic short-range two-dimensional correlations at wave vectors Q = (1/3,1/3, L) develop within the bilayers at temperatures as high as |Θ CW| ~100 K and extend over roughly five unit cells at temperatures below T g = 19 K. These two-dimensional static correlations are observed as diffuse rods ofmore » neutron scattering intensity along c * and display a continuous spin freezing process in their energy dependence. Aside from exhibiting these typical spin-glass characteristics, this insulating material reveals a novel gapped magnetic resonant spin excitation at ΔE ~12 meV localized around Q = (1 / 3, 1 / 3,L) . The temperature dependence of the spin gap associated with this two-dimensional excitation correlates with the evolution of the static correlations into the spin-glass state ground state. Lastly, we associate it with the effect of the staggered exchange field acting on the S eff = 1/2 Ising-like doublet of the Co 2+ moments.« less

Epi-Two-Dimensional Fluid Flow: A New Topological Paradigm for Dimensionality

NASA Astrophysics Data System (ADS)

Yoshida, Z.; Morrison, P. J.

2017-12-01

While a variety of fundamental differences are known to separate two-dimensional (2D) and three-dimensional (3D) fluid flows, it is not well understood how they are related. Conventionally, dimensional reduction is justified by an a priori geometrical framework; i.e., 2D flows occur under some geometrical constraint such as shallowness. However, deeper inquiry into 3D flow often finds the presence of local 2D-like structures without such a constraint, where 2D-like behavior may be identified by the integrability of vortex lines or vanishing local helicity. Here we propose a new paradigm of flow structure by introducing an intermediate class, termed epi-two-dimensional flow, and thereby build a topological bridge between 2D and 3D flows. The epi-2D property is local and is preserved in fluid elements obeying ideal (inviscid and barotropic) mechanics; a local epi-2D flow may be regarded as a "particle" carrying a generalized enstrophy as its charge. A finite viscosity may cause "fusion" of two epi-2D particles, generating helicity from their charges giving rise to 3D flow.

Hydrothermally formed three-dimensional hexagon-like P doped Ni(OH)2 rod arrays for high performance all-solid-state asymmetric supercapacitors

NASA Astrophysics Data System (ADS)

Li, Kunzhen; Li, Shikuo; Huang, Fangzhi; Lu, Yan; Wang, Lei; Chen, Hong; Zhang, Hui

2018-01-01

Three dimensional hexagon-like phosphrous (P) doped Ni(OH)2 rod arrays grown on Ni foam (NF) are fabricated by a facile and green one-step hydrothermal process. Ni foam is only reacted in a certain concentration of P containing H2O2 aqueous solution. The possible growth mechanism of the P doped Ni(OH)2 rod arrays is discussed. As a battery-type electrode material in situ formed on Ni foam, the binder-free P doped Ni(OH)2 rod arrays electrode displays a ultrahigh specific areal capacitance of 2.11C cm-2 (3.51 F cm-2) at 2 mA cm-2, and excellent cycling stability (95.5% capacitance retention after 7500 cycles). The assembled all-solid-state asymmetric supercapacitor (AAS) based on such P doped Ni(OH)2 rod arrays as the positive electrode and activated carbon as the negative electrode achieves an energy density of 81.3 Wh kg-1 at the power density of 635 W kg-1. The AAS device also exhibits excellent practical performance, which can easily drive an electric fan (3 W rated power) when two AAS devices are assembled in series. Thus, our synthesized P doped Ni(OH)2 rod arrays has a lot of potential applications in future energy storage prospects.

New generation of two-dimensional spintronic systems realized by coupling of Rashba and Dirac fermions

PubMed Central

Eremeev, Sergey V.; Tsirkin, Stepan S.; Nechaev, Ilya A.; Echenique, Pedro M.; Chulkov, Evgueni V.

2015-01-01

Intriguing phenomena and novel physics predicted for two-dimensional (2D) systems formed by electrons in Dirac or Rashba states motivate an active search for new materials or combinations of the already revealed ones. Being very promising ingredients in themselves, interplaying Dirac and Rashba systems can provide a base for next generation of spintronics devices, to a considerable extent, by mixing their striking properties or by improving technically significant characteristics of each other. Here, we demonstrate that in BiTeI@PbSb2Te4 composed of a BiTeI trilayer on top of the topological insulator (TI) PbSb2Te4 weakly- and strongly-coupled Dirac-Rashba hybrid systems are realized. The coupling strength depends on both interface hexagonal stacking and trilayer-stacking order. The weakly-coupled system can serve as a prototype to examine, e.g., plasmonic excitations, frictional drag, spin-polarized transport, and charge-spin separation effect in multilayer helical metals. In the strongly-coupled regime, within ~100 meV energy interval of the bulk TI projected bandgap a helical state substituting for the TI surface state appears. This new state is characterized by a larger momentum, similar velocity, and strong localization within BiTeI. We anticipate that our findings pave the way for designing a new type of spintronics devices based on Rashba-Dirac coupled systems. PMID:26239268

Monte Carlo simulation of ion-neutral charge exchange collisions and grid erosion in an ion thruster

NASA Technical Reports Server (NTRS)

Peng, Xiaohang; Ruyten, Wilhelmus M.; Keefer, Dennis

1991-01-01

A combined particle-in-cell (PIC)/Monte Carlo simulation model has been developed in which the PIC method is used to simulate the charge exchange collisions. It is noted that a number of features were reproduced correctly by this code, but that its assumption of two-dimensional axisymmetry for a single set of grid apertures precluded the reproduction of the most characteristic feature of actual test data; namely, the concentrated grid erosion at the geometric center of the hexagonal aperture array. The first results of a three-dimensional code, which takes into account the hexagonal symmetry of the grid, are presented. It is shown that, with this code, the experimentally observed erosion patterns are reproduced correctly, demonstrating explicitly the concentration of sputtering between apertures.

Characteristics of layered tin disulfide deposited by atomic layer deposition with H2S annealing

NASA Astrophysics Data System (ADS)

Lee, Seungjin; Shin, Seokyoon; Ham, Giyul; Lee, Juhyun; Choi, Hyeongsu; Park, Hyunwoo; Jeon, Hyeongtag

2017-04-01

Tin disulfide (SnS2) has attracted much attention as a two-dimensional (2D) material. A high-quality, low-temperature process for producing 2D materials is required for future electronic devices. Here, we investigate tin disulfide (SnS2) layers deposited via atomic layer deposition (ALD) using tetrakis(dimethylamino)tin (TDMASn) as a Sn precursor and H2S gas as a sulfur source at low temperature (150° C). The crystallinity of SnS2 was improved by H2S gas annealing. We carried out H2S gas annealing at various conditions (250° C, 300° C, 350° C, and using a three-step method). Angle-resolved X-ray photoelectron spectroscopy (ARXPS) results revealed the valence state corresponding to Sn4+ and S2- in the SnS2 annealed with H2S gas. The SnS2 annealed with H2S gas had a hexagonal structure, as measured via X-ray diffraction (XRD) and the clearly out-of-plane (A1g) mode in Raman spectroscopy. The crystallinity of SnS2 was improved after H2S annealing and was confirmed using the XRD full-width at half-maximum (FWHM). In addition, high-resolution transmission electron microscopy (HR-TEM) images indicated a clear layered structure.

Two-dimensional flexible nanoelectronics

NASA Astrophysics Data System (ADS)

Akinwande, Deji; Petrone, Nicholas; Hone, James

2014-12-01

2014/2015 represents the tenth anniversary of modern graphene research. Over this decade, graphene has proven to be attractive for thin-film transistors owing to its remarkable electronic, optical, mechanical and thermal properties. Even its major drawback--zero bandgap--has resulted in something positive: a resurgence of interest in two-dimensional semiconductors, such as dichalcogenides and buckled nanomaterials with sizeable bandgaps. With the discovery of hexagonal boron nitride as an ideal dielectric, the materials are now in place to advance integrated flexible nanoelectronics, which uniquely take advantage of the unmatched portfolio of properties of two-dimensional crystals, beyond the capability of conventional thin films for ubiquitous flexible systems.

Two-dimensional flexible nanoelectronics.

PubMed

Akinwande, Deji; Petrone, Nicholas; Hone, James

2014-12-17

2014/2015 represents the tenth anniversary of modern graphene research. Over this decade, graphene has proven to be attractive for thin-film transistors owing to its remarkable electronic, optical, mechanical and thermal properties. Even its major drawback--zero bandgap--has resulted in something positive: a resurgence of interest in two-dimensional semiconductors, such as dichalcogenides and buckled nanomaterials with sizeable bandgaps. With the discovery of hexagonal boron nitride as an ideal dielectric, the materials are now in place to advance integrated flexible nanoelectronics, which uniquely take advantage of the unmatched portfolio of properties of two-dimensional crystals, beyond the capability of conventional thin films for ubiquitous flexible systems.

Potential for change in US diagnosis of hip dysplasia solely caused by changes in probe orientation: patterns of alpha-angle variation revealed by using three-dimensional US.

PubMed

Jaremko, Jacob L; Mabee, Myles; Swami, Vimarsha G; Jamieson, Lucy; Chow, Kelvin; Thompson, Richard B

2014-12-01

To use three-dimensional ( 3D three-dimensional ) ultrasonography (US) to quantify the alpha-angle variability due to changing probe orientation during two-dimensional ( 2D two-dimensional ) US of the infant hip and its effect on the diagnostic classification of developmental dysplasia of the hip ( DDH developmental dysplasia of the hip ). In this institutional research ethics board-approved prospective study, with parental written informed consent, 13-MHz 3D three-dimensional US was added to initial 2D two-dimensional US for 56 hips in 35 infants (mean age, 41.7 days; range, 4-112 days), 26 of whom were female (mean age, 38.7 days; range, 6-112 days) and nine of whom were male (mean age, 50.2 days; range, 4-111 days). Findings in 20 hips were normal at the initial visit and were initially inconclusive but normalized spontaneously at follow-up in 23 hips; 13 hips were treated for dysplasia. With the computer algorithm, 3D three-dimensional US data were resectioned in planes tilted in 5° increments away from a central plane, as if slowly rotating a 2D two-dimensional US probe, until resulting images no longer met Graf quality criteria. On each acceptable 2D two-dimensional image, two observers measured alpha angles, and descriptive statistics, including mean, standard deviation, and limits of agreement, were computed. Acceptable 2D two-dimensional images were produced over a range of probe orientations averaging 24° (maximum, 45°) from the central plane. Over this range, alpha-angle variation was 19° (upper limit of agreement), leading to alteration of the diagnostic category of hip dysplasia in 54% of hips scanned. Use of 3D three-dimensional US showed that alpha angles measured at routine 2D two-dimensional US of the hip can vary substantially between 2D two-dimensional scans solely because of changes in probe positioning. Not only could normal hips appear dysplastic, but dysplastic hips also could have normal alpha angles. Three-dimensional US can display the full acetabular shape, which might improve DDH developmental dysplasia of the hip assessment accuracy. © RSNA, 2014.

Fundamentals, progress, and future directions of nitride-based semiconductors and their composites in two-dimensional limit: A first-principles perspective to recent synthesis

NASA Astrophysics Data System (ADS)

Kecik, D.; Onen, A.; Konuk, M.; Gürbüz, E.; Ersan, F.; Cahangirov, S.; Aktürk, E.; Durgun, E.; Ciraci, S.

2018-03-01

Potential applications of bulk GaN and AlN crystals have made possible single and multilayer allotropes of these III-V compounds to be a focus of interest recently. As of 2005, the theoretical studies have predicted that GaN and AlN can form two-dimensional (2D) stable, single-layer (SL) structures being wide band gap semiconductors and showing electronic and optical properties different from those of their bulk parents. Research on these 2D structures have gained importance with recent experimental studies achieving the growth of ultrathin 2D GaN and AlN on substrates. It is expected that these two materials will open an active field of research like graphene, silicene, and transition metal dichalcogenides. This topical review aims at the evaluation of previous experimental and theoretical works until 2018 in order to provide input for further research attempts in this field. To this end, starting from three-dimensional (3D) GaN and AlN crystals, we review 2D SL and multilayer (ML) structures, which were predicted to be stable in free-standing states. These are planar hexagonal (or honeycomb), tetragonal, and square-octagon structures. First, we discuss earlier results on dynamical and thermal stability of these SL structures, as well as the predicted mechanical properties. Next, their electronic and optical properties with and without the effect of strain are reviewed and compared with those of the 3D parent crystals. The formation of multilayers, hence prediction of new periodic layered structures and also tuning their physical properties with the number of layers are other critical subjects that have been actively studied and discussed here. In particular, an extensive analysis pertaining to the nature of perpendicular interlayer bonds causing planar GaN and AlN to buckle is presented. In view of the fact that SL GaN and AlN can be fabricated only on a substrate, the question of how the properties of free-standing, SL structures are affected if they are grown on a substrate is addressed. We also examine recent works treating the composite structures of GaN and AlN joined commensurately along their zigzag and armchair edges and forming heterostructures, δ-doping, single, and multiple quantum wells, as well as core/shell structures. Finally, outlooks and possible new research directions are briefly discussed.

Vestibular receptor cells and signal detection: bioaccelerometers and the hexagonal sampling of two-dimensional signals

NASA Technical Reports Server (NTRS)

Mugler, D. H.; Ross, M. D.

1990-01-01

The inner ear contains sensory organs which signal changes in head movement. The vestibular sacs, in particular, are sensitive to linear accelerations. Electron microscopic images have revealed the structure of tiny sensory hair bundles, whose mechanical deformation results in the initiation of neuronal activity and the transmission of electrical signals to the brain. The structure of the hair bundles is shown in this paper to be that of the most efficient two-dimensional phased-array signal processors.

Morphology Dependent Photocatalytic Activity of α-MoO3 Nanostructures Towards Mutagenic Acridine Orange Dye.

PubMed

2015-06-01

The morphological evolutions of orthorhombic molybdenum oxide nanostructures with high crystalline nature have been successfully synthesized by combining low-temperature sol-gel and annealing processes. Strong influence of gelation temperature is a factor facilitated to control the material morphology. Morphological transformations like nanospheres, nanoplatelets, mixtures of hexagonal platelets, and one-dimensional nanobars were obtained. The possible morphological formation mechanism has been proposed as a self-assemble process of nucleation and a mechanism for particle growth by Ostwald ripening. The as-prepared nanostructures were recognized as photocatalysts for the degradation of Acridine Orange under Ultra Violet light. The obtained mixed morphology (hexagonal nanoplatelets and nanobars) showed a high photocatalytic property to degrade mutagenic Acridine Orange dye. Moreover, they could be easily recycled without changing the photocatalytic activity due to their 1-Dimensional and 2-Dimensional nanostructure property.

Nonlinear combining and compression in multicore fibers

DOE PAGES

Chekhovskoy, I. S.; Rubenchik, A. M.; Shtyrina, O. V.; ...

2016-10-25

In this paper, we demonstrate numerically light-pulse combining and pulse compression using wave-collapse (self-focusing) energy-localization dynamics in a continuous-discrete nonlinear system, as implemented in a multicore fiber (MCF) using one-dimensional (1D) and 2D core distribution designs. Large-scale numerical simulations were performed to determine the conditions of the most efficient coherent combining and compression of pulses injected into the considered MCFs. We demonstrate the possibility of combining in a single core 90% of the total energy of pulses initially injected into all cores of a 7-core MCF with a hexagonal lattice. Finally, a pulse compression factor of about 720 can bemore » obtained with a 19-core ring MCF.« less

Photocurrent measurements in Coupled Quantum Well van der Waals Heterostructures made of 2D Transition Metal Dichalcogenides

NASA Astrophysics Data System (ADS)

Joe, Andrew; Jauregui, Luis; High, Alex; Dibos, Alan; Gulpinar, Elgin; Pistunova, Kateryna; Park, Hongkun; Kim, Philip

, Luis A. Jauregui, Alex A. High, Alan Dibos, Elgin Gulpinar, Kateryna Pistunova, Hongkun Park, Philip Kim Harvard University, Physics Department -abstract- Single layer transition metal dichalcogenides (TMDC) are 2-dimensional (2D) semiconductors van der Waals (vdW) characterized by a direct optical bandgap in the visible wavelength (~2 eV). Characterization of the band alignment between TMDC and the barrier is important for the fabrication of tunneling devices. Here, we fabricate coupled quantum well (CQW) heterostructures made of 2D TMDCs with hexagonal Boron nitride (hBN) as an atomically thin barrier and gate dielectric and with top and bottom metal (or graphite) as gate electrodes. We observe a clear dependence of the photo-generated current with varying hBN thickness, electrode workfunctions, electric field, laser excitation power, excitation wavelength, and temperature. We will discuss the implication of photocurrent in relation to quantum transport process across the vdW interfaces.

Stark shift and electric-field-induced dissociation of excitons in monolayer MoS2 and h BN /MoS2 heterostructures

NASA Astrophysics Data System (ADS)

Haastrup, Sten; Latini, Simone; Bolotin, Kirill; Thygesen, Kristian S.

2016-07-01

Efficient conversion of photons into electrical current in two-dimensional semiconductors requires, as a first step, the dissociation of the strongly bound excitons into free electrons and holes. Here we calculate the dissociation rates and energy shift of excitons in monolayer MoS2 as a function of an applied in-plane electric field. The dissociation rates are obtained as the inverse lifetime of the resonant states of a two-dimensional hydrogenic Hamiltonian which describes the exciton within the Mott-Wannier model. The resonances are computed using complex scaling, and the effective masses and screened electron-hole interaction defining the hydrogenic Hamiltonian are computed from first principles. For field strengths above 0.1 V/nm the dissociation lifetime is shorter than 1 ps, which is below the lifetime associated with competing decay mechanisms. Interestingly, encapsulation of the MoS2 layer in just two layers of hexagonal boron nitride (h BN ), enhances the dissociation rate by around one order of magnitude due to the increased screening. This shows that dielectric engineering is an effective way to control exciton lifetimes in two-dimensional materials.

Buckling reversal of the Si(111) bilayer termination of 2-dimensional ErSi2 upon H dosing

NASA Astrophysics Data System (ADS)

Wetzel, P.; Pirri, C.; Gewinner, G.

1997-05-01

Hydrogen-induced reconstruction of 2-dimensional (2D) ErSi2 epitaxially grown on Si(111) is studied by Auger-electron diffraction (AED) and low-energy electron diffraction (LEED). The intensity of the Er MNN Auger line is measured vs. polar angle along the [1 - 2 1] and [- 1 2 - 1] azimuths for clean and H-saturated (1 × 1) ErSi2 silicides. The atomic structure of clean 2D silicide, previously established by AED as well as other techniques, consists of a hexagonal monolayer of Er located underneath a buckled Si layer comparable to the Si(111) substrate double layers. Moreover, for clean 2D ErSi2 only the B-type orientation is observed, i.e. the buckled Si top layer is always rotated by 180° around the surface normal relative to the relevant double layers of the substrate. After atomic H saturation, AED reveals drastic changes in the silicide structure involving a major most remarkable reconstruction of the Si bilayer termination. The latter is found to switch from B-type to A-type orientation upon H dosing, i.e. H-saturated 2D ErSi2 exhibits a buckled Si top layer oriented in the same way as the substrate double layers. A comparison with single scattering cluster simulations demonstrates that the latter phenomenon is accompanied by a large expansion of the Er-Si interlayer spacing close to 0.3 Å.

Algebraic signal processing theory: 2-D spatial hexagonal lattice.

PubMed

Pünschel, Markus; Rötteler, Martin

2007-06-01

We develop the framework for signal processing on a spatial, or undirected, 2-D hexagonal lattice for both an infinite and a finite array of signal samples. This framework includes the proper notions of z-transform, boundary conditions, filtering or convolution, spectrum, frequency response, and Fourier transform. In the finite case, the Fourier transform is called discrete triangle transform. Like the hexagonal lattice, this transform is nonseparable. The derivation of the framework makes it a natural extension of the algebraic signal processing theory that we recently introduced. Namely, we construct the proper signal models, given by polynomial algebras, bottom-up from a suitable definition of hexagonal space shifts using a procedure provided by the algebraic theory. These signal models, in turn, then provide all the basic signal processing concepts. The framework developed in this paper is related to Mersereau's early work on hexagonal lattices in the same way as the discrete cosine and sine transforms are related to the discrete Fourier transform-a fact that will be made rigorous in this paper.

A quest for 2D lattice materials for actuation

NASA Astrophysics Data System (ADS)

Pronk, T. N.; Ayas, C.; Tekõglu, C.

2017-08-01

In the last two decades, most of the studies in shape morphing technology have focused on the Kagome lattice materials, which have superior properties such as in-plane isotropy, high specific stiffness and strength, and low energy requirement for actuation of its members. The Kagome lattice is a member of the family of semi-regular tessellations of the plane. Two fundamental questions naturally arise: i-) What makes a lattice material suitable for actuation? ii-) Are there other tessellations more effective than the Kagome lattice for actuation? The present paper tackles both questions, and provides a clear answer to the first one by comparing an alternative lattice material, the hexagonal cupola, with the Kagome lattice in terms of mechanical/actuation properties. The second question remains open, but, hopefully easier to challenge owing to a newly-discovered criterion: for an n-dimensional (n = 2 , 3) in-plane isotropic lattice material to be suitable for actuation, its pin-jointed equivalent must obey the generalised Maxwell's rule, and must possess M = 3(n - 1) non strain-producing finite kinematic mechanisms.

GATE: software for the analysis and visualization of high-dimensional time series expression data.

PubMed

MacArthur, Ben D; Lachmann, Alexander; Lemischka, Ihor R; Ma'ayan, Avi

2010-01-01

We present Grid Analysis of Time series Expression (GATE), an integrated computational software platform for the analysis and visualization of high-dimensional biomolecular time series. GATE uses a correlation-based clustering algorithm to arrange molecular time series on a two-dimensional hexagonal array and dynamically colors individual hexagons according to the expression level of the molecular component to which they are assigned, to create animated movies of systems-level molecular regulatory dynamics. In order to infer potential regulatory control mechanisms from patterns of correlation, GATE also allows interactive interroga-tion of movies against a wide variety of prior knowledge datasets. GATE movies can be paused and are interactive, allowing users to reconstruct networks and perform functional enrichment analyses. Movies created with GATE can be saved in Flash format and can be inserted directly into PDF manuscript files as interactive figures. GATE is available for download and is free for academic use from http://amp.pharm.mssm.edu/maayan-lab/gate.htm

Four highly pseudosymmetric and/or twinned structures of d(CGCGCG) 2 extend the repertoire of crystal structures of Z-DNA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luo, Zhipu; Dauter, Zbigniew; Gilski, Miroslaw

DNA oligomer duplexes containing alternating cytosines and guanines in their sequences tend to form left-handed helices of the Z-DNA type, with the sugar and phosphate backbone in a zigzag conformation and a helical repeat of two successive nucleotides. Z-DNA duplexes usually crystallize as hexagonally arranged parallel helical tubes, with various relative orientations and translation of neighboring duplexes. Four novel high-resolution crystal structures of d(CGCGCG) 2duplexes are described here. They are characterized by a high degree of pseudosymmetry and/or twinning, with three or four independent duplexes differently oriented in a monoclinicP2 1lattice of hexagonal metric. The various twinning criteria give somewhatmore » conflicting indications in these complicated cases of crystal pathology. The details of molecular packing in these crystal structures are compared with other known crystal forms of Z-DNA.« less

Observation of extraordinary transmission in deep UV region from aluminum film coated two dimensional photonic crystals

NASA Astrophysics Data System (ADS)

Venkatesh, A.; Piragash Kumar, R. M.; Moorthy, V. H. S.

2018-05-01

We report the first observation of extraordinary transmission of deep-UV light (λ = 289nm) through 20nm aluminum film coated two-dimensional photonic crystals. The two-dimensional photonic crystals are made of self-assembled hexagonally arranged monolayer of 200 nm polystyrene spheres fabricated using drop casting method. The high quality photonic crystal exhibits a well-defined photonic band gap of 4.59 eV (λ = 270nm) and the aluminum coated two-dimensional photonic crystal displays extraordinary transmission in the deep-UV region at λ = 289 nm. The fabricated aluminum nanostructure produces a sensitivity of 42nm/RIU and 57nm/RIU when the refractive index of the surrounding medium is changed from 1 (= air) to 1.36 (= ethanol) and 1.49 (=toluene), respectively. Therefore, the aluminum film coated two-dimensional photonic crystals could be utilized to fabricate cost-effective and ultrasensitive chemical sensors.

Engineering p-n junctions and bandgap tuning of InSe nanolayers by controlled oxidation

NASA Astrophysics Data System (ADS)

Balakrishnan, Nilanthy; Kudrynskyi, Zakhar R.; Smith, Emily F.; Fay, Michael W.; Makarovsky, Oleg; Kovalyuk, Zakhar D.; Eaves, Laurence; Beton, Peter H.; Patanè, Amalia

2017-06-01

Exploitation of two-dimensional (2D) van der Waals (vdW) crystals can be hindered by the deterioration of the crystal surface over time due to oxidation. On the other hand, the existence of a stable oxide at room temperature can offer prospects for several applications. Here we report on the chemical reactivity of γ-InSe, a recent addition to the family of 2D vdW crystals. We demonstrate that, unlike other 2D materials, InSe nanolayers can be chemically stable under ambient conditions. However, both thermal- and photo-annealing in air induces the oxidation of the InSe surface, which converts a few surface layers of InSe into In2O3, thus forming an InSe/In2O3 heterostructure with distinct and interesting electronic properties. The oxidation can be activated in selected areas of the flake by laser writing or prevented by capping the InSe surface with an exfoliated flake of hexagonal boron nitride. We exploit the controlled oxidation of p-InSe to fabricate p-InSe/n-In2O3 junction diodes with room temperature electroluminescence and spectral response from the near-infrared to the visible and near-ultraviolet ranges. These findings reveal the limits and potential of thermal- and photo-oxidation of InSe in future technologies.

Radial Breathing Modes in Cosmochemistry and Meteoritics

NASA Technical Reports Server (NTRS)

Wilson, T.L.; Wilson, K.B.

2009-01-01

One area of continuing interest in cosmochemistry and meteoritics (C&M) is the identification of the nature of Q-phase, although some researchers in C&M are not reporting relevant portions of Raman spectral data. Q is the unidentified carrier of noble gases in carbonaceous chondrites (CCs). Being carbonaceous, the focus has been on any number of Q-candidates arising from the sp2 hybridization of carbon (C). These all derive from various forms of graphene, a monolayer of C atoms packed into a two-dimensional (2D) hexagonal honeycomb lattice that is the basic building block for graphitic materials of all other dimensions for sp2 allotropes of C. As a basic lattice, 2D graphene can be curled into fullerenes (0D), wrapped into carbon nanotubes or CNTs (1D), and stacked into graphite (3D). These take such additional forms as scroll-like carbon whiskers, carbon fibers, carbon onions, GPCs (graphite polyhedral crystals) [6], and GICs (graphite intercalation compounds). Although all of these have been observed in meteoritics, the issue is which can explain the Q-abundances. In brief, one or more of the 0D-3D sp2 hybridization forms of C is Q. For some Q-candidates, the radial breathing modes (RBMs) are the most important Raman active vibrational modes that exist, and bear a direct relevance to solving this puzzle. Typically in C&M they are ignored when present. Their importance is addressed here as smoking-gun signatures for certain Q-candidates and are very relevant to the ultimate identification of Q.

A selection principle for Benard-type convection

NASA Technical Reports Server (NTRS)

Knightly, G. H.; Sather, D.

1985-01-01

In a Benard-type convection problem, the stationary flows of an infinite layer of fluid lying between two rigid horizontal walls and heated uniformly from below are determined. As the temperature difference across the layer increases beyond a certain value, other convective motions appear. These motions are often cellular in character in that their streamlines are confined to certain well-defined cells having, for example, the shape of rolls or hexagons. A selection principle that explains why hexagonal cells seem to be preferred for certain ranges of the parameters is formulated. An operator-theoretical formulation of one generalized Bernard problem is given. The infinite dimensional problem is reduced to one of solving a finite dimensional system of equations, namely, the selection equations. These equations are solved and a linearized stability analysis of the resultant stationary flows is presented.

A selection principle in Benard-type convection

NASA Technical Reports Server (NTRS)

Knightly, G. H.; Sather, D.

1983-01-01

In a Benard-type convection problem, the stationary flows of an infinite layer of fluid lying between two rigid horizontal walls and heated uniformly from below are determined. As the temperature difference across the layer increases beyond a certain value, other convective motions appear. These motions areoften cellular in character in that their streamlines are confined to certain well-defined cells having, for example, the shape of rolls or hexagons. A selection principle that explains why hexagonal cells seem to be preferred for certain ranges of the parameters is formulated. An operator-theoretical formulation of one generalized Bernard problem is given. The infinite dimensional problem is reduced to one of solving a finite dimensional system of equations, namely, the selection equations. These equations are solved and a linearized stability analysis of the resultant stationary flows is presented.

Hexagonal arrays of round-head silicon nanopillars for surface anti-reflection applications

NASA Astrophysics Data System (ADS)

Yan, Wensheng; Dottermusch, Stephan; Reitz, Christian; Richards, Bryce S.

2016-10-01

We designed and fabricated an anti-reflection surface of hexagonal arrays of round-head silicon nanopillars. The measurements show a significant reduction in reflectivity across a broad spectral range. However, we then grew a conformal titanium dioxide coating via atomic layer deposition to achieve an extremely low weighted average reflection of 2.1% over the 460-1040 nm wavelength range. To understand the underlying reasons for the reduced reflectance, the simulations were conducted and showed that it is due to strong forward scattering of incident light into the silicon substrate. The calculated normalized scattering cross section demonstrates a broadband distribution feature, and the peak has a red-shift to longer wavelengths. Finally, we report two-dimensional weighted average reflectance as a function of both wavelength and angle of incidence and present the resulting analysis contour map.

Spatiotemporal patterns in reaction-diffusion system and in a vibrated granular bed

DOE Office of Scientific and Technical Information (OSTI.GOV)

Swinney, H.L.; Lee, K.J.; McCormick, W.D.

Experiments on a quasi-two-dimensional reaction-diffusion system reveal transitions from a uniform state to stationary hexagonal, striped, and rhombic spatial patterns. For other reactor conditions lamellae and self-replicating spot patterns are observed. These patterns form in continuously fed thin gel reactors that can be maintained indefinitely in well-defined nonequilibrium states. Reaction-diffusion models with two chemical species yield patterns similar to those observed in the experiments. Pattern formation is also being examined in vertically oscillated thin granular layers (typically 3-30 particle diameters deep). For small acceleration amplitudes, a granular layer is flat, but above a well-defined critical acceleration amplitude, spatial patterns spontaneouslymore » form. Disordered time-dependent granular patterns are observed as well as regular patterns of squares, stripes, and hexagons. A one-dimensional model consisting of a completely inelastic ball colliding with a sinusoidally oscillating platform provides a semi-quantitative description of most of the observed bifurcations between the different spatiotemporal regimes.« less

A rational repeating template method for synthesis of 2D hexagonally ordered mesoporous precious metals.

PubMed

Takai, Azusa; Doi, Yoji; Yamauchi, Yusuke; Kuroda, Kazuyuki

2011-03-01

A repeating template method is presented for the synthesis of mesoporous metals with 2D hexagonal mesostructures. First, a silica replica (i.e., silica nanorods arranged periodically) is prepared by using 2D hexagonally ordered mesoporous carbon as the template. After that, the obtained silica replica is used as the second template for the preparation of mesoporous ruthenium. After the ruthenium species are introduced into the silica replica, the ruthenium species are then reduced by a vapor-infiltration method by using the reducing agent dimethylamine borane. After the ruthenium deposition, the silica is chemically removed. Analysis by transmission and scanning electron microscopies, a nitrogen-adsorption-desorption isotherm, and small-angle X-ray scattering revealed that the mesoporous ruthenium had a 2D hexagonal mesostructure, although the mesostructural ordering is decreased compared to that of the original mesoporous carbon template. This method is widely applicable to other metal systems. By changing the metal species introduced into the silica replica, several mesoporous metals (palladium and platinum) can be synthesized. Ordered mesoporous ruthenium and palladium, which are not easily attainable by the soft-templating methods, can be prepared. This study has overcome the composition variation limitations of the soft-templating method. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Colloidal Covalent Organic Frameworks

PubMed Central

2017-01-01

Covalent organic frameworks (COFs) are two- or three-dimensional (2D or 3D) polymer networks with designed topology and chemical functionality, permanent porosity, and high surface areas. These features are potentially useful for a broad range of applications, including catalysis, optoelectronics, and energy storage devices. But current COF syntheses offer poor control over the material’s morphology and final form, generally providing insoluble and unprocessable microcrystalline powder aggregates. COF polymerizations are often performed under conditions in which the monomers are only partially soluble in the reaction solvent, and this heterogeneity has hindered understanding of their polymerization or crystallization processes. Here we report homogeneous polymerization conditions for boronate ester-linked, 2D COFs that inhibit crystallite precipitation, resulting in stable colloidal suspensions of 2D COF nanoparticles. The hexagonal, layered structures of the colloids are confirmed by small-angle and wide-angle X-ray scattering, and kinetic characterization provides insight into the growth process. The colloid size is modulated by solvent conditions, and the technique is demonstrated for four 2D boronate ester-linked COFs. The diameter of individual COF nanoparticles in solution is monitored and quantified during COF growth and stabilization at elevated temperature using in situ variable-temperature liquid cell transmission electron microscopy imaging, a new characterization technique that complements conventional bulk scattering techniques. Solution casting of the colloids yields a free-standing transparent COF film with retained crystallinity and porosity, as well as preferential crystallite orientation. Collectively this structural control provides new opportunities for understanding COF formation and designing morphologies for device applications. PMID:28149954

The different adsorption mechanism of methane molecule onto a boron nitride and a graphene flakes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seyed-Talebi, Seyedeh Mozhgan; Neek-Amal, M., E-mail: neekamal@srttu.edu

2014-10-21

Graphene and single layer hexagonal boron-nitride are two newly discovered 2D materials with wonderful physical properties. Using density functional theory, we study the adsorption mechanism of a methane molecule over a hexagonal flake of single layer hexagonal boron-nitride (h-BN) and compare the results with those of graphene. We found that independent of the used functional in our ab-initio calculations, the adsorption energy in the h-BN flake is larger than that for graphene. Despite of the adsorption energy profile of methane over a graphene flake, we show that there is a long range behavior beyond minimum energy in the adsorption energymore » of methane over h-BN flake. This result reveals the higher sensitivity of h-BN sheet to the adsorption of a typical closed shell molecule with respect to graphene. The latter gives insight in the recent experiments of graphene over hexagonal boron nitride.« less

A 2D/3D hybrid integral imaging display by using fast switchable hexagonal liquid crystal lens array

NASA Astrophysics Data System (ADS)

Lee, Hsin-Hsueh; Huang, Ping-Ju; Wu, Jui-Yi; Hsieh, Po-Yuan; Huang, Yi-Pai

2017-05-01

The paper proposes a new display which could switch 2D and 3D images on a monitor, and we call it as Hybrid Display. In 3D display technologies, the reduction of image resolution is still an important issue. The more angle information offer to the observer, the less spatial resolution would offer to image resolution because of the fixed panel resolution. Take it for example, in the integral photography system, the part of image without depth, like background, will reduce its resolution by transform from 2D to 3D image. Therefore, we proposed a method by using liquid crystal component to quickly switch the 2D image and 3D image. Meanwhile, the 2D image is set as a background to compensate the resolution.. In the experiment, hexagonal liquid crystal lens array would be used to take the place of fixed lens array. Moreover, in order to increase lens power of the hexagonal LC lens array, we applied high resistance (Hi-R) layer structure on the electrode. Hi-R layer would make the gradient electric field and affect the lens profile. Also, we use panel with 801 PPI to display the integral image in our system. Hence, the consequence of full resolution 2D background with the 3D depth object forms the Hybrid Display.

Development of new two-dimensional spectral/spatial code based on dynamic cyclic shift code for OCDMA system

NASA Astrophysics Data System (ADS)

Jellali, Nabiha; Najjar, Monia; Ferchichi, Moez; Rezig, Houria

2017-07-01

In this paper, a new two-dimensional spectral/spatial codes family, named two dimensional dynamic cyclic shift codes (2D-DCS) is introduced. The 2D-DCS codes are derived from the dynamic cyclic shift code for the spectral and spatial coding. The proposed system can fully eliminate the multiple access interference (MAI) by using the MAI cancellation property. The effect of shot noise, phase-induced intensity noise and thermal noise are used to analyze the code performance. In comparison with existing two dimensional (2D) codes, such as 2D perfect difference (2D-PD), 2D Extended Enhanced Double Weight (2D-Extended-EDW) and 2D hybrid (2D-FCC/MDW) codes, the numerical results show that our proposed codes have the best performance. By keeping the same code length and increasing the spatial code, the performance of our 2D-DCS system is enhanced: it provides higher data rates while using lower transmitted power and a smaller spectral width.

New Layered Materials and Functional Nanoelectronic Devices

NASA Astrophysics Data System (ADS)

Yu, Jaeeun

This thesis introduces functional nanomaterials including superatoms and carbon nanotubes (CNTs) for new layered solids and molecular devices. Chapters 1-3 present how we incorporate superatoms into two-dimensional (2D) materials. Chapter 1 describes a new and simple approach to dope transition metal dichalcogenides (TMDCs) using the superatom Co6Se8(PEt3)6 as the electron dopant. Doping is an effective method to modulate the electrical properties of materials, and we demonstrate an electron-rich cluster can be used as a tunable and controllable surface dopant for semiconducting TMDCs via charge transfer. As a demonstration of the concept, we make a p-n junction by patterning on specific areas of TMDC films. Chapter 2 and Chapter 3 introduce new 2D materials by molecular design of superatoms. Traditional atomic van der Waals materials such as graphene, hexagonal boron-nitride, and TMDCs have received widespread attention due to the wealth of unusual physical and chemical behaviors that arise when charges, spins, and vibrations are confined to a plane. Though not as widespread as their atomic counterparts, molecule-based layered solids offer significant benefits; their structural flexibility will enable the development of materials with tunable properties. Chapter 2 describes a layered van der Waals solid self-assembled from a structure-directing building block and C60 fullerene. The resulting crystalline solid contains a corrugated monolayer of neutral fullerenes and can be mechanically exfoliated. Chapter 3 describes a new method to functionalize electroactive superatoms with groups that can direct their assembly into covalent and non-covalent multi-dimensional frameworks. We synthesized Co6Se8[PEt2(4-C6H4COOH)]6 and found that it forms two types of crystalline assemblies with Zn(NO3)2, one is a three-dimensional solid and the other consists of stacked layers of two-dimensional sheets. The dimensionality is controlled by subtle changes in reaction conditions. CNT-based field-effect transistor (FETs), in which a single molecule spans an oxidatively cut gap in the CNT, provide a versatile, ground-state platform with well-defined electrical contacts. For statistical studies of a variety of small molecule bridges, Chapter 4 presents a novel fabrication method to produce hundreds of FETs on one single carbon nanotube. A large number of devices allows us to study the stability and uniformity of CNT FET properties. Moreover, the new platform also enables a quantitative analysis of molecular devices. In particular, we used CNT FETs for studying DNA-mediated charge transport. DNA conductance was measured by connecting DNA molecules of varying lengths to lithographically cut CNT FETs.

Atomic structure of a metal-supported two-dimensional germania film

NASA Astrophysics Data System (ADS)

Lewandowski, Adrián Leandro; Schlexer, Philomena; Büchner, Christin; Davis, Earl M.; Burrall, Hannah; Burson, Kristen M.; Schneider, Wolf-Dieter; Heyde, Markus; Pacchioni, Gianfranco; Freund, Hans-Joachim

2018-03-01

The growth and microscopic characterization of two-dimensional germania films is presented. Germanium oxide monolayer films were grown on Ru(0001) by physical vapor deposition and subsequent annealing in oxygen. We obtain a comprehensive image of the germania film structure by combining intensity-voltage low-energy electron diffraction (I/V-LEED) and ab initio density functional theory (DFT) analysis with atomic-resolution scanning tunneling microscopy (STM) imaging. For benchmarking purposes, the bare Ru(0001) substrate and the (2 ×2 )3 O covered Ru(0001) were analyzed with I/V-LEED with respect to previous reports. STM topographic images of the germania film reveal a hexagonal network where the oxygen and germanium atom positions appear in different imaging contrasts. For quantitative LEED, the best agreement has been achieved with DFT structures where the germanium atoms are located preferentially on the top and fcc hollow sites of the Ru(0001) substrate. Moreover, in these atomically flat germania films, local site geometries, i.e., tetrahedral building blocks, ring structures, and domain boundaries, have been identified, indicating possible pathways towards two-dimensional amorphous networks.

High breakdown voltage quasi-two-dimensional β-Ga2O3 field-effect transistors with a boron nitride field plate

NASA Astrophysics Data System (ADS)

Bae, Jinho; Kim, Hyoung Woo; Kang, In Ho; Yang, Gwangseok; Kim, Jihyun

2018-03-01

We have demonstrated a β-Ga2O3 metal-semiconductor field-effect transistor (MESFET) with a high off-state breakdown voltage (344 V), based on a quasi-two-dimensional β-Ga2O3 field-plated with hexagonal boron nitride (h-BN). Both the β-Ga2O3 and h-BN were mechanically exfoliated from their respective crystal substrates, followed by dry-transfer onto a SiO2/Si substrate for integration into a high breakdown voltage quasi-two-dimensional β-Ga2O3 MESFETs. N-type conducting behavior was observed in the fabricated β-Ga2O3 MESFETs, along with a high on/off current ratio (>106) and excellent current saturation. A three-terminal off-state breakdown voltage of 344 V was obtained, with a threshold voltage of -7.3 V and a subthreshold swing of 84.6 mV/dec. The distribution of electric fields in the quasi-two-dimensional β-Ga2O3 MESFETs was simulated to analyze the role of the dielectric h-BN field plate in improving the off-state breakdown voltage. The stability of the field-plated β-Ga2O3 MESFET in air was confirmed after storing the MESFET in ambient air for one month. Our results pave the way for unlocking the full potential of β-Ga2O3 for use in a high-power nano-device with an ultrahigh breakdown voltage.

Interface designed MoS2/GaAs heterostructure solar cell with sandwich stacked hexagonal boron nitride

PubMed Central

Lin, Shisheng; Li, Xiaoqiang; Wang, Peng; Xu, Zhijuan; Zhang, Shengjiao; Zhong, Huikai; Wu, Zhiqian; Xu, Wenli; Chen, Hongsheng

2015-01-01

MoS2 is a layered two-dimensional semiconductor with a direct band gap of 1.8 eV. The MoS2/bulk semiconductor system offers a new platform for solar cell device design. Different from the conventional bulk p-n junctions, in the MoS2/bulk semiconductor heterostructure, static charge transfer shifts the Fermi level of MoS2 toward that of bulk semiconductor, lowering the barrier height of the formed junction. Herein, we introduce hexagonal boron nitride (h-BN) into MoS2/GaAs heterostructure to suppress the static charge transfer, and the obtained MoS2/h-BN/GaAs solar cell exhibits an improved power conversion efficiency of 5.42%. More importantly, the sandwiched h-BN makes the Fermi level tuning of MoS2 more effective. By employing chemical doping and electrical gating into the solar cell device, PCE of 9.03% is achieved, which is the highest among all the reported monolayer transition metal dichalcogenide based solar cells. PMID:26458358

Two-dimensional self-assembly of DNA-functionalized gold nanoparticles

NASA Astrophysics Data System (ADS)

Wang, Wenjie; Zhang, Honghu; Hagen, Noah; Kuzmenko, Ivan; Akinc, Mufit; Travesset, Alex; Mallapragada, Surya; Vaknin, David

2D superlattices of nanoparticles (NPs) are promising candidates for nano-devices. It is still challenging to develop a simple yet efficient protocol to assemble NPs in a controlled manner. Here, we report on formation of 2D Gibbs monolayers of single-stranded DNA-coated gold nanoparticles (ssDNA-AuNPs) at the air-water interface by manipulation of salts contents. MgCl2 and CaCl2 in solutions facilitate the accumulation of the non-complementary ssDNA-AuNPs on aqueous surfaces. Grazing-incidence small-angle X-ray scattering (GISAXS) and X-ray reflectivity show that the surface AuNPs assembly forms a mono-particle layer and undergoes a transformation from short-range to long-range (hexagonal) order above a threshold of [MgCl2] or [CaCl2]. For solutions that include two kinds of ssDNA-AuNPs with complementary base-pairing, the surface AuNPs form a thicker film and only in-plane short-range order is observed. By using other salts (NaCl or LaCl3) at concentrations of similar ionic strength to those of MgCl2 or CaCl2, we find that surface adsorbed NPs lack any orders. X-ray fluorescence measurements provide direct evidence of surface enrichment of AuNPs and divalent ions (Ca2 +) . The work was supported by the Office of Basic Energy Sciences, USDOE under Contract No. DE-AC02-07CH11358 and DE-AC02-06CH11357.

The interface between ferroelectric and 2D material for a Ferroelectric Field-Effect Transistor

NASA Astrophysics Data System (ADS)

Park, Nahee; Kang, Haeyong; Lee, Sang-Goo; Lee, Young Hee; Suh, Dongseok

We have studied electrical property of ferroelectric field-effect transistor which consists of graphene on hexagonal Boron-Nitride (h-BN) gated by a ferroelectric, PMN-PT (i.e. (1-x)Pb(Mg1/3Nb2/3) O3-xPbTiO3) single-crystal substrate. The PMN-PT was expected to have an effect on polarization field into the graphene channel and to induce a giant amount of surface charge. The hexagonal Boron-Nitride (h-BN) flake was directly exfoliated on the PMN-PT substrate for preventing graphene from directly contacting on the PMN-PT substrate. It can make us to observe the effect of the interface between ferroelectric and 2D material on the device operation. Monolayer graphene as 2D channel material, which was confirmed by Raman spectroscopy, was transferred on top of the hexagonal Boron-Nitride (h-BN) by using the conventional dry-transfer method. Here, we can demonstrate that the structure of graphene/hexagonal-BN/ferroelectric field-effect transistor makes us to clearly understand the device operation as well as the interface between ferroelectric and 2D materials by inserting h-BN between them. The phenomena such as anti-hysteresis, current saturation behavior, and hump-like increase of channel current, will be discussed by in terms of ferroelectric switching, polarization-assisted charge trapping.

Mild hydrothermal crystal growth of new uranium(IV) fluorides, Na3.13Mg1.43U6F30 and Na2.50Mn1.75U6F30: Structures, optical and magnetic properties

NASA Astrophysics Data System (ADS)

Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; zur Loye, Hans-Conrad

2016-04-01

Two new uranium(IV) fluorides, Na3.13Mg1.43U6F30 (1) and Na2.50Mn1.75U6F30 (2), were synthesized through an in situ mild hydrothermal route, and were structurally characterized by single crystal X-ray diffraction. The compounds exhibit complex crystal structures composed of corner- or edge-shared UF9 and MF6 (M=Mg, Mn) polyhedra, forming hexagonal channels in the three-dimensional framework, in which ordered or disordered divalent metal and sodium atoms reside. The large hexagonal voids contain the nearly regular M(II)F6 octahedra and sodium ions, whereas the small hexagonal cavities include M(II) and sodium ions on a mixed-occupied site. Magnetic susceptibility measurements yielded effective magnetic moments of 8.36 and 11.6 μB for 1 and 2, respectively, confirming the presence and oxidation states of U(IV) and Mn(II). The large negative Weiss constants indicate the spin gap between a triplet and a singlet state in the U(IV). Magnetization data as a function of applied fields revealed that 2 exhibits paramagnetic behavior due to the nonmagnetic singlet ground state of U(IV) at low temperature. UV-vis diffuse reflectance and X-ray photoelectron spectroscopy data were also analyzed.

Optimization Methods on Synthesis of Atomically Thin Layered Materials and Heterostructures

NASA Astrophysics Data System (ADS)

Temiz, Selcuk

Two dimensional (2D) materials have emerged as a new class of materials that only a few atoms thick. Owing to their low dimensionality, 2D materials bear rather unusual properties that do not exist in traditional three dimensional (3D) materials. Graphene, a single layer of carbon atoms arrange in a 2D hexagonal lattice, has started the revolutionary progress in materials science and condensed matter physics, and motivated intense research in other 2D materials such as h-BN, and layered metal dichalcogenides. Chemical vapor deposition (CVD) is the most studied bottom-up graphene production method for building the prototypes of next-generation electronic devices due to its scalability; however, there is still not an ultimate consensus of growth mechanisms on control the size and morphology of synthesized-crystals. In order to have better understanding the growth mechanisms, the role of oxygen exposure in the graphene growth has been comprehensively studied. The oxygen gas is introduced into the CVD reactor before and during the growth, and its effects on the morphology, crystallinity, and nucleation density of graphene are systematically studied. It is found that introducing oxygen during growth significantly improves the graphene crystallinity while pre-dosing oxygen before growth reduces the graphene nucleation density. The stacking of graphene and other layered materials in the lateral or vertical geometries can offer extended functionality by exploiting interfacial phenomena, quantum confinement and tunneling, which requires the interface between the layered materials be free of contaminates. The vertical heterostructures of CVD-grown graphene and h-BN single crystals are deeply investigated by analytical scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS). It is shown that graphene contamination, undetectable using optical microscopy, is prevalent at the nanoscale, and the interfacial contamination between the layers reduces the interlayer coupling and ultimately undermines the graphene/h-BN heterostructures. Raman spectroscopy is a versatile and non-destructive technique for the identification of structural properties and phonon features of atomically thin layered materials. Especially, the second order resonant Raman spectroscopy, which can be applied to the resonance conditions in energy of the incoming photon and interband transitions of an electron in a crystal lattice, reveals additional phonon modes to typical Raman active modes in a spectra. Various 2D materials, including SnSe2, WSe2, SnS2, and MoTe2, and their heterostructures are fabricated by dry transfer method as a top-down approach. The vibrational characteristics of these 2D materials systems are unambiguously established by using second order Resonant Raman spectroscopy.

Transition from two-dimensional photonic crystals to dielectric metasurfaces in the optical diffraction with a fine structure

PubMed Central

Rybin, Mikhail V.; Samusev, Kirill B.; Lukashenko, Stanislav Yu.; Kivshar, Yuri S.; Limonov, Mikhail F.

2016-01-01

We study experimentally a fine structure of the optical Laue diffraction from two-dimensional periodic photonic lattices. The periodic photonic lattices with the C4v square symmetry, orthogonal C2v symmetry, and hexagonal C6v symmetry are composed of submicron dielectric elements fabricated by the direct laser writing technique. We observe surprisingly strong optical diffraction from a finite number of elements that provides an excellent tool to determine not only the symmetry but also exact number of particles in the finite-length structure and the sample shape. Using different samples with orthogonal C2v symmetry and varying the lattice spacing, we observe experimentally a transition between the regime of multi-order diffraction, being typical for photonic crystals to the regime where only the zero-order diffraction can be observed, being is a clear fingerprint of dielectric metasurfaces characterized by effective parameters. PMID:27491952

Multilayer hexagonal silicon forming in slit nanopore

PubMed Central

He, Yezeng; Li, Hui; Sui, Yanwei; Qi, Jiqiu; Wang, Yanqing; Chen, Zheng; Dong, Jichen; Li, Xiongying

2015-01-01

The solidification of two-dimensional liquid silicon confined to a slit nanopore has been studied using molecular dynamics simulations. The results clearly show that the system undergoes an obvious transition from liquid to multilayer hexagonal film with the decrease of temperature, accompanied by dramatic change in potential energy, atomic volume, coordination number and lateral radial distribution function. During the cooling process, some hexagonal islands randomly appear in the liquid first, then grow up to grain nuclei, and finally connect together to form a complete polycrystalline film. Moreover, it is found that the quenching rate and slit size are of vital importance to the freezing structure of silicon film. The results also indicate that the slit nanopore induces the layering of liquid silicon, which further induces the slit size dependent solidification behavior of silicon film with different electrical properties. PMID:26435518

Epitaxial hexagonal boron nitride on Ir(111): A work function template

NASA Astrophysics Data System (ADS)

Schulz, Fabian; Drost, Robert; Hämäläinen, Sampsa K.; Demonchaux, Thomas; Seitsonen, Ari P.; Liljeroth, Peter

2014-06-01

Hexagonal boron nitride (h-BN) is a prominent member in the growing family of two-dimensional materials with potential applications ranging from being an atomically smooth support for other two-dimensional materials to templating growth of molecular layers. We have studied the structure of monolayer h-BN grown by chemical vapor deposition on Ir(111) by low-temperature scanning tunneling microscopy (STM) and spectroscopy (STS) experiments and state-of-the-art density functional theory (DFT) calculations. The lattice mismatch between the h-BN and Ir(111) surface results in the formation of a moiré superstructure with a periodicity of ˜29 Å and a corrugation of ˜0.4 Å. By measuring the field emission resonances above the h-BN layer, we find a modulation of the work function within the moiré unit cell of ˜0.5 eV. DFT simulations for a 13-on-12 h-BN/Ir(111) unit cell confirm our experimental findings and allow us to relate the change in the work function to the subtle changes in the interaction between boron and nitrogen atoms and the underlying substrate atoms within the moiré unit cell. Hexagonal boron nitride on Ir(111) combines weak topographic corrugation with a strong work function modulation over the moiré unit cell. This makes h-BN/Ir(111) a potential substrate for electronically modulated thin film and heterosandwich structures.

Synthesis of mesoporous silica materials (MCM-41) from iron ore tailings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu Honghao, E-mail: honghaoyu@hotmail.com; College of Material Science and Engineering, Shenyang Ligong University, Shenyang, 110168; Xue Xiangxin

2009-11-15

Highly ordered mesoporous materials were successfully synthesized by using the iron ore tailings as the silica source and n-hexadecyltrimethyl ammonium bromide as the template. The samples were detail characterized by powder X-ray diffraction, scanning electron microscope, high-resolution transmission electron microscopy and N{sub 2} physisorption. The as-synthesized materials had high surface area of 527 m{sup 2} g{sup -1} and the mean pore diameter of 2.65 nm with a well-ordered two-dimensional hexagonal structure. It is feasible to prepare mesoporous MCM-41 materials using the iron ore tailings as precursor.

Characterizing the Three-Dimensional Structure of Block Copolymers via Sequential Infiltration Synthesis and Scanning Transmission Electron Tomography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Segal-Peretz, Tamar; Winterstein, Jonathan; Doxastakis, Manolis

Understanding and controlling the three-dimensional structure of block copolymer (BCP) thin films is critical for utilizing these materials for sub-20 nm nanopatterning in semiconductor devices, as well as in membranes and solar cell applications. Combining an atomic layer deposition (ALD) based technique for enhancing the contrast of BCPs in transmission electron microscopy (TEM) together with scanning TEM (STEM) tomography reveals and characterizes the three-dimensional structures of poly(styrene-block-methyl methacrylate) (PS-b-PMMA) thin films with great clarity. Sequential infiltration synthesis (SIS), a block-selective technique for growing inorganic materials in BCPs films in ALD, and an emerging tool for enhancing the etch contrast ofmore » BCPs, was harnessed to significantly enhance the high-angle scattering from the polar domains of BCP films in the TEM. The power of combining SIS and STEM tomography for three dimensional (3D) characterization of BCPs films was demonstrated with the following cases: self-assembled cylindrical, lamellar, and spherical PS-PMMA thin films. In all cases, STEM tomography has revealed 3D structures that were hidden underneath the surface, including: 1) the 3D structure of defects in cylindrical and lamellar phases, 2) non-perpendicular 3D surface of grain boundaries in the cylindrical phase, and 3) the 3D arrangement of spheres in body centered cubic (BCC) and hexagonal closed pack (HCP) morphologies in the spherical phase. The 3D data of the spherical morphologies was compared to coarse-grained simulations and assisted in validating the simulations’ parameters. STEM tomography of SIS-treated BCP films enables the characterization of the exact structure used for pattern transfer, and can lead to better understating of the physics which is utilized in BCP lithography.« less

Controllable Growth and Formation Mechanisms of Dislocated WS2 Spirals.

PubMed

Fan, Xiaopeng; Zhao, Yuzhou; Zheng, Weihao; Li, Honglai; Wu, Xueping; Hu, Xuelu; Zhang, Xuehong; Zhu, Xiaoli; Zhang, Qinglin; Wang, Xiao; Yang, Bin; Chen, Jianghua; Jin, Song; Pan, Anlian

2018-06-13

Two-dimensional (2D) layered metal dichalcogenides can form spiral nanostructures by a screw-dislocation-driven mechanism, which leads to changes in crystal symmetry and layer stackings that introduce attractive physical properties different from their bulk and few-layer nanostructures. However, controllable growth of spirals is challenging and their growth mechanisms are poorly understood. Here, we report the controllable growth of WS 2 spiral nanoplates with different stackings by a vapor phase deposition route and investigate their formation mechanisms by combining atomic force microscopy with second harmonic generation imaging. Previously not observed "spiral arm" features could be explained as covered dislocation spiral steps, and the number of spiral arms correlates with the number of screw dislocations initiated at the bottom plane. The supersaturation-dependent growth can generate new screw dislocations from the existing layers, or even new layers templated by existing screw dislocations. Different number of dislocations and orientation of new layers result in distinct morphologies, different layer stackings, and more complex nanostructures, such as triangular spiral nanoplates with hexagonal spiral pattern on top. This work provides the understanding and control of dislocation-driven growth of 2D nanostructures. These spiral nanostructures offer diverse candidates for probing the physical properties of layered materials and exploring new applications in functional nanoelectronic and optoelectronic devices.

Environment-insensitive and gate-controllable photocurrent enabled by bandgap engineering of MoS2 junctions.

PubMed

Shih, Fu-Yu; Wu, Yueh-Chun; Shih, Yi-Siang; Shih, Ming-Chiuan; Wu, Tsuei-Shin; Ho, Po-Hsun; Chen, Chun-Wei; Chen, Yang-Fang; Chiu, Ya-Ping; Wang, Wei-Hua

2017-03-21

Two-dimensional (2D) materials are composed of atomically thin crystals with an enormous surface-to-volume ratio, and their physical properties can be easily subjected to the change of the chemical environment. Encapsulation with other layered materials, such as hexagonal boron nitride, is a common practice; however, this approach often requires inextricable fabrication processes. Alternatively, it is intriguing to explore methods to control transport properties in the circumstance of no encapsulated layer. This is very challenging because of the ubiquitous presence of adsorbents, which can lead to charged-impurity scattering sites, charge traps, and recombination centers. Here, we show that the short-circuit photocurrent originated from the built-in electric field at the MoS 2 junction is surprisingly insensitive to the gaseous environment over the range from a vacuum of 1 × 10 -6   Torr to ambient condition. The environmental insensitivity of the short-circuit photocurrent is attributed to the characteristic of the diffusion current that is associated with the gradient of carrier density. Conversely, the photocurrent with bias exhibits typical persistent photoconductivity and greatly depends on the gaseous environment. The observation of environment-insensitive short-circuit photocurrent demonstrates an alternative method to design device structure for 2D-material-based optoelectronic applications.

Electrotunable artificial molecules based on van der Waals heterostructures

PubMed Central

Zhang, Zhuo-Zhi; Song, Xiang-Xiang; Luo, Gang; Deng, Guang-Wei; Mosallanejad, Vahid; Taniguchi, Takashi; Watanabe, Kenji; Li, Hai-Ou; Cao, Gang; Guo, Guang-Can; Nori, Franco; Guo, Guo-Ping

2017-01-01

Quantum confinement has made it possible to detect and manipulate single-electron charge and spin states. The recent focus on two-dimensional (2D) materials has attracted significant interests on possible applications to quantum devices, including detecting and manipulating either single-electron charging behavior or spin and valley degrees of freedom. However, the most popular model systems, consisting of tunable double-quantum-dot molecules, are still extremely difficult to realize in these materials. We show that an artificial molecule can be reversibly formed in atomically thin MoS2 sandwiched in hexagonal boron nitride, with each artificial atom controlled separately by electrostatic gating. The extracted values for coupling energies at different regimes indicate a single-electron transport behavior, with the coupling strength between the quantum dots tuned monotonically. Moreover, in the low-density regime, we observe a decrease of the conductance with magnetic field, suggesting the observation of Coulomb blockade weak anti-localization. Our experiments demonstrate for the first time the realization of an artificial quantum-dot molecule in a gated MoS2 van der Waals heterostructure, which could be used to investigate spin-valley physics. The compatibility with large-scale production, gate controllability, electron-hole bipolarity, and new quantum degrees of freedom in the family of 2D materials opens new possibilities for quantum electronics and its applications. PMID:29062893

Oil and drug control the release rate from lyotropic liquid crystals.

PubMed

Martiel, Isabelle; Baumann, Nicole; Vallooran, Jijo J; Bergfreund, Jotam; Sagalowicz, Laurent; Mezzenga, Raffaele

2015-04-28

The control of the diffusion coefficient by the dimensionality d of the structure appears as a most promising lever to efficiently tune the release rate from lyotropic liquid crystalline (LLC) phases and dispersed particles towards sustained, controlled and targeted release. By using phosphatidylcholine (PC)- and monolinoleine (MLO)-based mesophases with various apolar structural modifiers and water-soluble drugs, we present a comprehensive study of the dimensional structural control of hydrophilic drug release, including 3-d bicontinuous cubic, 2-d lamellar, 1-d hexagonal and 0-d micellar cubic phases in excess water. We investigate how the surfactant, the oil properties and the drug hydrophilicity mitigate or even cancel the effect of structure variation on the drug release rate. Unexpectedly, the observed behavior cannot be fully explained by the thermodynamic partition of the drug into the lipid matrix, which points out to previously overlooked kinetic effects. We therefore interpret our results by discussing the mechanism of structural control of the diffusion rate in terms of drug permeation through the lipid membrane, which includes exchange kinetics. A wide range of implications follow regarding formulation and future developments, both for dispersed LLC delivery systems and topical applications in bulk phase. Copyright © 2015 Elsevier B.V. All rights reserved.

The formation of Colloidal 2D/3D MoS2 Nanostructures in Organic Liquid Environment

NASA Astrophysics Data System (ADS)

Durgun, Engin; Sen, H. Sener; Oztas, Tugba; Ortac, Bulend

2015-03-01

2D MoS2 nanosheets (2D MoS2 NS) and fullerene-like MoS2 nanostructures (3D MoS2 NS) with varying sizes are synthesized by nanosecond laser ablation of hexagonal crystalline 2H-MoS2 powder in methanol. Structural, chemical, and optical properties of MoS2 NS are characterized by optical microscopy, SEM, TEM, XRD, Raman and UV/VIS/NIR absorption spectroscopy techniques. Results of structural analysis show that the obtained MoS2 NS mainly present layered morphology from micron to nanometer surface area. Detailed analysis of the product also proves the existence of inorganic polyhedral fullerene-like 3D MoS2 NS generated by pulsed laser ablation in methanol. The possible factors which may lead to formation of both 2D and 3D MoS2 NS in methanol are examined by ab initio calculations and shown that it is correlated with vacancy formation. The hexagonal crystalline structure of MoS2 NS was determined by XRD analysis. The colloidal MoS2 NS solution presents broadband absorption edge tailoring from UV region to NIR region. Investigations of MoS2 NS show that the one step physical process of pulsed laser ablation-bulk MoS2 powder interaction in organic solution opens doors to the formation of ``two scales'' micron- and nanometer-sized layered and fullerene-like morphology MoS2 structures. This work was partially supported by TUBITAK under the Project No. 113T050 and Bilim Akademisi - The Science Academy, Turkey under the BAGEP program.

Synthesis of cubic Ia-3d mesoporous silica in anionic surfactant templating system with the aid of acetate.

PubMed

Deng, Shao-Xin; Xu, Xue-Yan; He, Wen-Chao; Wang, Jin-Gui; Chen, Tie-Hong

2014-08-01

Mesoporous silica with three-dimensional (3D) bicontinuous cubic Ia-3d structure and fascinating caterpillar-like morphology was synthesized by using anionic surfactant N-lauroylsarcosine sodium (Sar-Na) as the template and 3-amionpropyltrimethoxysilane (APS) as the co-structure-directing agent (CSDA) with the aid of acetate. A phase transformation from high interfacial curvature 2D hexagonal to low interfacial curvature 3D cubic Ia-3d occurred in the presence of a proper amount of acetate. Other species of salts (excluding acetate) had the ability to induce the caterpillar-like morphology, but failed to induce the cubic Ia-3d mesostructure. Furthermore, [3-(2-aminoethyl)-aminopropyl]trimethoxysilane (DAPS) was also used as the CSDA to synthesize Ia-3d mesostructured silica under the aid of sodium acetate. After extraction of the anionic surfactants, amino and di-amine functionalized 3D bicontinuous cubic Ia-3d mesoporous silicas were obtained and used as supports to immobilize Pd nanoparticles for supported catalysts. The catalytic activity of the catalysts was tested by catalytic hydrogenation of allyl alcohol. Copyright © 2013 Elsevier Inc. All rights reserved.

Synthesis of large-area multilayer hexagonal boron nitride for high material performance.

PubMed

Kim, Soo Min; Hsu, Allen; Park, Min Ho; Chae, Sang Hoon; Yun, Seok Joon; Lee, Joo Song; Cho, Dae-Hyun; Fang, Wenjing; Lee, Changgu; Palacios, Tomás; Dresselhaus, Mildred; Kim, Ki Kang; Lee, Young Hee; Kong, Jing

2015-10-28

Although hexagonal boron nitride (h-BN) is a good candidate for gate-insulating materials by minimizing interaction from substrate, further applications to electronic devices with available two-dimensional semiconductors continue to be limited by flake size. While monolayer h-BN has been synthesized on Pt and Cu foil using chemical vapour deposition (CVD), multilayer h-BN is still absent. Here we use Fe foil and synthesize large-area multilayer h-BN film by CVD with a borazine precursor. These films reveal strong cathodoluminescence and high mechanical strength (Young's modulus: 1.16 ± 0.1 TPa), reminiscent of formation of high-quality h-BN. The CVD-grown graphene on multilayer h-BN film yields a high carrier mobility of ∼ 24,000 cm(2) V(-1) s(-1) at room temperature, higher than that (∼ 13,000 (2) V(-1) s(-1)) with exfoliated h-BN. By placing additional h-BN on a SiO2/Si substrate for a MoS2 (WSe2) field-effect transistor, the doping effect from gate oxide is minimized and furthermore the mobility is improved by four (150) times.

Light scattering and random lasing in aqueous suspensions of hexagonal boron nitride nanoflakes

NASA Astrophysics Data System (ADS)

O'Brien, S. A.; Harvey, A.; Griffin, A.; Donnelly, T.; Mulcahy, D.; Coleman, J. N.; Donegan, J. F.; McCloskey, D.

2017-11-01

Liquid phase exfoliation allows large scale production of 2D materials in solution. The particles are highly anisotropic and strongly scatter light. While spherical particles can be accurately and precisely described by a single parameter—the radius, 2D nanoflakes, however, cannot be so easily described. We investigate light scattering in aqueous solutions of 2D hexagonal boron nitride nanoflakes in the single and multiple scattering regimes. In the single scattering regime, the anisotropic 2D materials show a much stronger depolarization of light when compared to spherical particles of similar size. In the multiple scattering regime, the scattering as a function of optical path for hexagonal boron nitride nanoflakes of a given lateral length was found to be qualitatively equivalent to scattering from spheres with the same diameter. We also report the presence of random lasing in high concentration suspensions of aqueous h-BN mixed with Rhodamine B dye. The h-BN works as a scattering agent and Rhodamine B as a gain medium for the process. We observed random lasing at 587 nm with a threshold energy of 0.8 mJ.

Light scattering and random lasing in aqueous suspensions of hexagonal boron nitride nanoflakes.

PubMed

O'Brien, S A; Harvey, A; Griffin, A; Donnelly, T; Mulcahy, D; Coleman, J N; Donegan, J F; McCloskey, D

2017-11-24

Liquid phase exfoliation allows large scale production of 2D materials in solution. The particles are highly anisotropic and strongly scatter light. While spherical particles can be accurately and precisely described by a single parameter-the radius, 2D nanoflakes, however, cannot be so easily described. We investigate light scattering in aqueous solutions of 2D hexagonal boron nitride nanoflakes in the single and multiple scattering regimes. In the single scattering regime, the anisotropic 2D materials show a much stronger depolarization of light when compared to spherical particles of similar size. In the multiple scattering regime, the scattering as a function of optical path for hexagonal boron nitride nanoflakes of a given lateral length was found to be qualitatively equivalent to scattering from spheres with the same diameter. We also report the presence of random lasing in high concentration suspensions of aqueous h-BN mixed with Rhodamine B dye. The h-BN works as a scattering agent and Rhodamine B as a gain medium for the process. We observed random lasing at 587 nm with a threshold energy of 0.8 mJ.

Transport properties of ultrathin black phosphorus on hexagonal boron nitride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doganov, Rostislav A.; Özyilmaz, Barbaros; Department of Physics, National University of Singapore, 2 Science Drive 3, 117542 Singapore

2015-02-23

Ultrathin black phosphorus, or phosphorene, is a two-dimensional material that allows both high carrier mobility and large on/off ratios. Similar to other atomic crystals, like graphene or layered transition metal dichalcogenides, the transport behavior of few-layer black phosphorus is expected to be affected by the underlying substrate. The properties of black phosphorus have so far been studied on the widely utilized SiO{sub 2} substrate. Here, we characterize few-layer black phosphorus field effect transistors on hexagonal boron nitride—an atomically smooth and charge trap-free substrate. We measure the temperature dependence of the field effect mobility for both holes and electrons and explainmore » the observed behavior in terms of charged impurity limited transport. We find that in-situ vacuum annealing at 400 K removes the p-doping of few-layer black phosphorus on both boron nitride and SiO{sub 2} substrates and reduces the hysteresis at room temperature.« less

Data Visualization for ESM and ELINT: Visualizing 3D and Hyper Dimensional Data

DTIC Science & Technology

2011-06-01

technique to present multiple 2D views was devised by D. Asimov . He assembled multiple two dimensional scatter plot views of the hyper dimensional...Viewing Multidimensional Data”, D. Asimov , DIAM Journal on Scientific and Statistical Computing, vol.61, pp.128-143, 1985. [2] “High-Dimensional

Characterization of M-type barium hexagonal ferrite-based wide band microwave absorber

NASA Astrophysics Data System (ADS)

Meshram, M. R.; Agrawal, Nawal K.; Sinha, Bharoti; Misra, P. S.

2004-05-01

This paper present the design, development and characterization of the hexagonal ferrite powder [BaCo 0.5δTi 0.5δMn 0.1Fe (11.87-δ)O 19] and [Ba(MnTi) δFe (12-2δ)O 19] at δ=1.6 as a microwave absorber. The hexagonal ferrite powder has been developed by dry attrition and sintering procedure. The developed ferrite powder 60% by weight has been mixed in epoxy resin to form a microwave-absorbing paint. This paint was coated on a conducting aluminum sheet to study the absorption characteristics of a linearly polarized TE wave at X band. The results for single- and two-layer microwave absorbers for different coating thicknesses have been reported. It has been found that it shows the broadband characteristics with minimum absorption of 8 dB from 8 to 12 GHz for a coating thickness of 2 mm.These paints are very useful in military applications such as RCS reduction, camouflaging of the target and prevention of EMI, etc.

Helical structures in vertically aligned dust particle chains in a complex plasma

NASA Astrophysics Data System (ADS)

Hyde, Truell W.; Kong, Jie; Matthews, Lorin S.

2013-05-01

Self-assembly of structures from vertically aligned, charged dust particle bundles within a glass box placed on the lower, powered electrode of a Gaseous Electronics Conference rf reference cell were produced and examined experimentally. Self-organized formation of one-dimensional vertical chains, two-dimensional zigzag structures, and three-dimensional helical structures of triangular, quadrangular, pentagonal, hexagonal, and heptagonal symmetries are shown to occur. System evolution is shown to progress from a one-dimensional chain structure, through a zigzag transition to a two-dimensional, spindlelike structure, and then to various three-dimensional, helical structures exhibiting multiple symmetries. Stable configurations are found to be dependent upon the system confinement, γ2=ω0h/ω0v2 (where ω0h,v are the horizontal and vertical dust resonance frequencies), the total number of particles within a bundle, and the rf power. For clusters having fixed numbers of particles, the rf power at which structural phase transitions occur is repeatable and exhibits no observable hysteresis. The critical conditions for these structural phase transitions as well as the basic symmetry exhibited by the one-, two-, and three-dimensional structures that subsequently develop are in good agreement with the theoretically predicted configurations of minimum energy determined employing molecular dynamics simulations for charged dust particles confined in a prolate, spheroidal potential as presented theoretically by Kamimura and Ishihara [Kamimura and Ishihara, Phys. Rev. EPLEEE81063-651X10.1103/PhysRevE.85.016406 85, 016406 (2012)].

Molecular magnetism of M6 hexagon ring in D(3d) symmetric [(MCl)6(XW9O33)2](12-) (M = Cu(II) and Mn(II), X = Sb(III) and As(III)).

PubMed

Yamase, Toshihiro; Ishikawa, Hirofumi; Abe, Hiroko; Fukaya, Keisuke; Nojiri, Hiroyuki; Takeuchi, Hideo

2012-04-16

Ferromagnetic [n-BuNH(3)](12)[(CuCl)(6)(SbW(9)O(33))(2)]·6H(2)O (1) and antiferromagnetic [n-BuNH(3)](12)[(MnCl)(6)(AsW(9)O(33))(2)]·6H(2)O (4) have been synthesized and structurally and magnetically characterized. Two complexes are structural analogues of [n-BuNH(3)](12)[(CuCl)(6)(AsW(9)O(33))(2)]·6H(2)O (2) and [n-BuNH(3)](12)[(MnCl)(6)(SbW(9)O(33))(2)]·6H(2)O (3) with their ferromagnetic interactions, first reported by us in 2006. (1) When variable temperature (T) direct current (dc) magnetic susceptibility (χ(M)) data are analyzed with the isotropic exchange Hamiltonian for the magnetic exchange interactions, χ(M)T vs T curves fitted by a full matrix diagonalization (for 1) and by the Kambe vector coupling method/Van Vleck's approximation (for 4) yield J = +29.5 and -0.09 cm(-1) and g = 2.3 and 1.9, respectively. These J values were significantly distinguished from +61.0 and +0.14 cm(-1) for 2 and 3, respectively. The magnetization under the pulsed field (up to 10(3) T/s) at 0.5 K exhibits hysteresis loops in the adiabatic process, and the differential magnetization (dM/dB) plots against the pulsed field display peaks characteristic of resonant quantum tunneling of magnetization (QTM) at Zeeman crossed fields, indicating single-molecule magnets for 1-3. High-frequency ESR (HFESR) spectroscopy on polycrystalline samples provides g(∥) = 2.30, g(⊥) = 2.19, and D = -0.147 cm(-1) for 1 (S = 3 ground state), g(∥) = 2.29, g(⊥) = 2.20, and D = -0.145 cm(-1) for 2 (S = 3), and g(∥) = 2.03 and D = -0.007 cm(-1) for 3 (S = 15). An attempt to rationalize the magnetostructural correlation among 1-4, the structurally and magnetically modified D(3d)-symmetric M (=Cu(II) and Mn(II))(6) hexagons sandwiched by two diamagnetic α-B-[XW(9)O(33)](9-) (X = Sb(III) and As(III)) ligands through M-(μ(3)-O)-W linkages, is made. The strongest ferromagnetic coupling for the Cu(6) hexagon of 2, the structure of which approximately provides the Cu(6)(μ(3)-O)(12) cylindrical geometry, is demonstrated by the polarization mechanism based on the point-dipole approximation, which provides a decrease of the ferromagnetic interaction due to the out-of-cylinder deviation of the Cu atoms for 1. The different nature of the magnetic exchange interaction in 3 and 4 is understood by the combined effect of the out-of plane deviation (the largest for 4) of the Mn atoms from the Mn(μ(3)-O)(2)Mn least-squares plane and the antiferromagnetic contribution arising from the large Mn-O-Mn bond angle. The primary contribution to D is discussed in terms of the magnetic dipole-dipole interaction between the electrons located on the magnetic sites in the M(6) hexagon. © 2012 American Chemical Society

Superconductivity at 5 K in quasi-one-dimensional Cr-based KCr3As3 single crystals

NASA Astrophysics Data System (ADS)

Mu, Qing-Ge; Ruan, Bin-Bin; Pan, Bo-Jin; Liu, Tong; Yu, Jia; Zhao, Kang; Chen, Gen-Fu; Ren, Zhi-An

2017-10-01

Recently a new family of Cr-based A2Cr3As3 (A =K , Rb, Cs) superconductors was reported, which own a rare quasi-one-dimensional (Q1D) crystal structure with infinite (Cr3As3) 2 - chains and exhibit intriguing superconducting characteristics possibly derived from spin-triplet electron pairing. The crystal structure of A2Cr3As3 is actually a slight variation of the hexagonal TlFe3Te3 prototype, although they have different lattice symmetry. Here we report superconductivity in a 133-type KCr3As3 compound that belongs to the latter structure. The single crystals of KCr3As3 were prepared by the deintercalation of K ions from K2Cr3As3 crystals which were grown from a high-temperature solution growth method, and it owns a centrosymmetric lattice in contrast to the noncentrosymmetric K2Cr3As3 . After annealing at a moderate temperature, the KCr3As3 crystals show superconductivity at 5 K revealed by electrical resistivity, magnetic susceptibility, and heat capacity measurements. The discovery of this KCr3As3 superconductor provides a different structural instance to study the exotic superconductivity in these Q1D Cr-based superconductors.

Characterization of Ze and LDR of nonspherical and inhomogeneous ice particles for 95-GHz cloud radar: Its implication to microphysical retrievals

NASA Astrophysics Data System (ADS)

Sato, Kaori; Okamoto, Hajime

2006-11-01

Effect of density, shape, and orientation on radar reflectivity factor (Ze) and linear depolarization ratio (LDR) at 95 GHz are investigated by using the discrete dipole approximation (DDA) for ice cloud studies. We consider hexagonal plate, hollow hexagonal column, and hollow bullet rosette in horizontal (2-D) or three-dimensional (3-D) random orientation. We first validate a widely used method to take into account the density and shape effects by the combinational use of Mie theory with the Maxwell-Garnett mixing rule (the MG-Mie method). It is found that the MG-Mie method underestimates Ze and its applicability is limited to sizes smaller than 40 μm. On the basis of the DDA, it is possible to separately treat density, aspect ratio, orientation, and shape. Effect of density turns out to be minor. Orientation and shape are the major controlling factors for Ze especially at effective radius reff > 100 μm and LDR except for very large sizes where the effect of orientation in LDR diminishes. Comparison between the DDA results and the analytical solution for 3-D Rayleigh spheroids show that LDR in the small size range is characterized by the target boundary and aspect ratio. In the large size range, LDR reveals features of a single target element; for example, LDR of bullet rosette is similar to that of a single branch of the particle. Combinational use of Ze and LDR is effective in microphysics retrieval for LDR < -23 dB. For LDR > -23 dB, additional information such as Doppler velocity is required.

Control over self-assembly of diblock copolymers on hexagonal and square templates for high area density circuit boards.

PubMed

Feng, Jie; Cavicchi, Kevin A; Heinz, Hendrik

2011-12-27

Self-assembled diblock copolymer melts on patterned substrates can induce a smaller characteristic domain spacing compared to predefined lithographic patterns and enable the manufacture of circuit boards with a high area density of computing and storage units. Monte Carlo simulation using coarse-grain models of polystyrene-b-polydimethylsiloxane shows that the generation of high-density hexagonal and square patterns is controlled by the ratio N(D) of the surface area per post and the surface area per spherical domain of neat block copolymer. N(D) represents the preferred number of block copolymer domains per post. Selected integer numbers support the formation of ordered structures on hexagonal (1, 3, 4, 7, 9) and square (1, 2, 5, 7) templates. On square templates, only smaller numbers of block copolymer domains per post support the formation of ordered arrays with significant stabilization energies relative to hexagonal morphology. Deviation from suitable integer numbers N(D) increases the likelihood of transitional morphologies between square and hexagonal. Upon increasing the spacing of posts on the substrate, square arrays, nested square arrays, and disordered hexagonal morphologies with multiple coordination numbers were identified, accompanied by a decrease in stabilization energy. Control over the main design parameter N(D) may allow an up to 7-fold increase in density of spherical block copolymer domains per surface area in comparison to the density of square posts and provide access to a wide range of high-density nanostructures to pattern electronic devices.

Design of a rotational three-dimensional nonimaging device by a compensated two-dimensional design process.

PubMed

Yang, Yi; Qian, Ke-Yuan; Luo, Yi

2006-07-20

A compensation process has been developed to design rotational three-dimensional (3D) nonimaging devices. By compensating the desired light distribution during a two-dimensional (2D) design process for an extended Lambertian source using a compensation coefficient, the meridian plane of a 3D device with good performance can be obtained. This method is suitable in many cases with fast calculation speed. Solutions to two kinds of optical design problems have been proposed, and the limitation of this compensated 2D design method is discussed.

Rhombic organization of microvilli domains found in a cell model of the human intestine

PubMed Central

Grünebaum, Jonas; Schäfer, Marcus; Mulac, Dennis; Rehfeldt, Florian; Langer, Klaus; Kramer, Armin; Riethmüller, Christoph

2018-01-01

Symmetry is rarely found on cellular surfaces. An exception is the brush border of microvilli, which are essential for the proper function of transport epithelia. In a healthy intestine, they appear densely packed as a 2D-hexagonal lattice. For in vitro testing of intestinal transport the cell line Caco-2 has been established. As reported by electron microscopy, their microvilli arrange primarily in clusters developing secondly into a 2D-hexagonal lattice. Here, atomic force microscopy (AFM) was employed under aqueous buffer conditions on Caco-2 cells, which were cultivated on permeable filter membranes for optimum differentiation. For analysis, the exact position of each microvillus was detected by computer vision; subsequent Fourier transformation yielded the type of 2D-lattice. It was confirmed, that Caco-2 cells can build a hexagonal lattice of microvilli and form clusters. Moreover, a second type of arrangement was discovered, namely a rhombic lattice, which appeared at sub-maximal densities of microvilli with (29 ± 4) microvilli / μm2. Altogether, the findings indicate the existence of a yet undescribed pattern in cellular organization. PMID:29320535

Six uranyl-organic frameworks with naphthalene-dicarboxylic acid and bipyridyl-based spacers: syntheses, structures, and properties.

PubMed

Xu, Wei; Ren, Ya-Nan; Xie, Miao; Zhou, Lin-Xia; Zheng, Yue-Qing

2018-03-28

A new series of uranium coordination polymers have been hydrothermally synthesized by using 1,4-naphthalene dicarboxylic acid (H 2 NDC), namely, (H 3 O) 2 [(UO 2 ) 2 (NDC) 3 ]·H 2 O (1), (H 2 -bpp)[(UO 2 ) 2 (NDC) 3 ]·EtOH·5H 2 O (2), (H 2 -bpe) 2/2 [(UO 2 ) 2 (NDC) 3 ]·EtOH (3), (H 2 -bpp)[(UO 2 ) 2 (NDC) 3 ]·5H 2 O (4), (H 2 -bpp)[(UO 2 )(HNDC)(NDC)] 2 ·2H 2 O (5), and (H 2 -bpy)[(UO 2 )(NDC) 2 ] (6) [bpp = 1,3-di(4-pyridyl) propane, bpe = 4,4'-vinylenedipyridine, bpy = 4,4'-bipyridine]. Single-crystal X-ray diffraction demonstrates that complex 1 represents the uranyl-organic polycatenated framework derived from a simple two-dimensional honeycomb grid network structure via a H 2 NDC linker. Complexes 2-4 contain the dinuclear motifs of the two UO 7 pentagonal and one UO 8 hexagonal bipyramids which are linked by NDC 2- anions creating a (UO 2 ) 4 (NDC) 2 unit, and further extend to a 2D layer through NDC 2- anions. Complex 5 displays a 1D zigzag double chain structure, in which the carboxylate groups of the NDC 2- anions adopt a chelate mode and further extends to a 2D framework via hydrogen bonds. The 1D structure of complex 6 is similar to the zigzag chain of complex 5. In addition, powder X-ray diffraction, elemental analysis, IR, thermal stability and luminescence properties of all complexes have also been investigated in this paper. The photocatalytic properties of the six complexes for the degradation of tetracycline hydrochloride (TC) under UV irradiation have been examined. Moreover, density functional theory (DFT) calculations were carried out to explore the electronic structural and bonding properties of the uranyl complexes 1-6.

Configuration of ripple domains and their topological defects formed under local mechanical stress on hexagonal monolayer graphene

DOE PAGES

Park, Yeonggu; Choi, Jin Sik; Choi, Taekjib; ...

2015-03-24

Ripples in graphene are extensively investigated because they ensure the mechanical stability of two-dimensional graphene and affect its electronic properties. They arise from spontaneous symmetry breaking and are usually manifested in the form of domains with long-range order. It is expected that topological defects accompany a material exhibiting long-range order, whose functionality depends on characteristics of domains and topological defects. However, there remains a lack of understanding regarding ripple domains and their topological defects formed on monolayer graphene. Here we explore configuration of ripple domains and their topological defects in exfoliated monolayer graphenes on SiO₂/Si substrates using transverse shear microscope.more » We observe three-color domains with three different ripple directions, which meet at a core. Furthermore, the closed domain is surrounded by an even number of cores connected together by domain boundaries, similar to topological vortex and anti-vortex pairs. In addition, we have found that axisymmetric three-color domains can be induced around nanoparticles underneath the graphene. This fascinating configuration of ripple domains may result from the intrinsic hexagonal symmetry of two-dimensional graphene, which is supported by theoretical simulation using molecular dynamics. Our findings are expected to play a key role in understanding of ripple physics in graphene and other two-dimensional materials.« less

Configuration of ripple domains and their topological defects formed under local mechanical stress on hexagonal monolayer graphene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, Yeonggu; Choi, Jin Sik; Choi, Taekjib

Ripples in graphene are extensively investigated because they ensure the mechanical stability of two-dimensional graphene and affect its electronic properties. They arise from spontaneous symmetry breaking and are usually manifested in the form of domains with long-range order. It is expected that topological defects accompany a material exhibiting long-range order, whose functionality depends on characteristics of domains and topological defects. However, there remains a lack of understanding regarding ripple domains and their topological defects formed on monolayer graphene. Here we explore configuration of ripple domains and their topological defects in exfoliated monolayer graphenes on SiO₂/Si substrates using transverse shear microscope.more » We observe three-color domains with three different ripple directions, which meet at a core. Furthermore, the closed domain is surrounded by an even number of cores connected together by domain boundaries, similar to topological vortex and anti-vortex pairs. In addition, we have found that axisymmetric three-color domains can be induced around nanoparticles underneath the graphene. This fascinating configuration of ripple domains may result from the intrinsic hexagonal symmetry of two-dimensional graphene, which is supported by theoretical simulation using molecular dynamics. Our findings are expected to play a key role in understanding of ripple physics in graphene and other two-dimensional materials.« less

The Design and Performance Characteristics of a Cellular Logic 3-D Image Classification Processor.

DTIC Science & Technology

1981-04-01

34 AGARD Proc. No. 94 on Artificiel Intelligence , 217: 1-13 (1971) 7. Golay, Marcel J. E. "Hexagonal Parallel Pattern Transformations." IEEE Trans. on...nonrandom nature of the data and features must be understood in order to intelligently select a reasonable three-dimensional noise filter. This completes...tactical targets which are located hundreds of meters away and are controlled and disguised by equally intelligent human beings, the difficulty of the

Two-Dimensional Crystallography Introduced by the Sprinkler Watering Problem

ERIC Educational Resources Information Center

De Toro, Jose A.; Calvo, Gabriel F.; Muniz, Pablo

2012-01-01

The problem of optimizing the number of circular sprinklers watering large fields is used to introduce, from a purely elementary geometrical perspective, some basic concepts in crystallography and comment on a few size effects in condensed matter physics. We examine square and hexagonal lattices to build a function describing the, so-called, dry…

Morphologies of Primary Silicon in Hypereutectic Al-Si Alloys: Phase-Field Simulation Supported by Key Experiments

NASA Astrophysics Data System (ADS)

Wang, Kai; Wei, Ming; Zhang, Lijun; Du, Yong

2016-04-01

We realized a three-dimensional visualization of the morphology evolution and the growth behavior of the octahedral primary silicon in hypereutectic Al-20wtpctSi alloy during solidification in a real length scale by utilizing the phase-field simulation coupled with CALPHAD databases, and supported by key experiments. Moreover, through two-dimensional cut of the octahedral primary silicon at random angles, different morphologies observed in experiments, including triangle, square, trapezoid, rhombic, pentagon, and hexagon, were well reproduced.

Synthesis and excellent field emission properties of three-dimensional branched GaN nanowire homostructures

NASA Astrophysics Data System (ADS)

Li, Enling; Sun, Lihe; Cui, Zhen; Ma, Deming; Shi, Wei; Wang, Xiaolin

2016-10-01

Three-dimensional branched GaN nanowire homostructures have been synthesized on the Si substrate via a two-step approach by chemical vapor deposition. Structural characterization reveals that the single crystal GaN nanowire trunks have hexagonal wurtzite characteristics and grow along the [0001] direction, while the homoepitaxial single crystal branches grow in a radial direction from the six-sided surfaces of the trunks. The field emission measurements demonstrate that the branched GaN nanowire homostructures have excellent field emission properties, with low turn-on field at 2.35 V/μm, a high field enhancement factor of 2938, and long emission current stability. This indicates that the present branched GaN nanowire homostructures will become valuable for practical field emission applications.

Measuring Intrinsic Curvature of Space with Electromagnetism

NASA Astrophysics Data System (ADS)

Mabin, Mason; Becker, Maria; Batelaan, Herman

2016-10-01

The concept of curved space is not readily observable in everyday life. The educational movie "Sphereland" attempts to illuminate the idea. The main character, a hexagon, has to go to great lengths to prove that her world is in fact curved. We present an experiment that demonstrates a new way to determine if a two-dimensional surface, the 2-sphere, is curved. The behavior of an electric field, placed on a spherical surface, is shown to be related to the intrinsic Gaussian curvature. This approach allows students to gain some understanding of Einstein's theory of general relativity, which relates the curvature of spacetime to the presence of mass and energy. Additionally, an opportunity is provided to investigate the dimensionality of Gauss's law.

Perfect Circular Dichroism in the Haldane Model

NASA Astrophysics Data System (ADS)

Ghalamkari, Kazu; Tatsumi, Yuki; Saito, Riichiro

2018-06-01

We theoretically show that perfect circular dichroism (CD) occurs in the Haldane model in which the two-dimensional (2D) material absorbs only either left-handed or right-handed circularly polarized light. Perfect CD occurs in the phase diagram of the Haldane model when the zero-field quantum Hall conductivity has a nonzero value. The coincidence of the occurrence of perfect CD and zero-field quantum Hall effect is attributed to the fact that the effect of broken time-reversal symmetry is larger than the effect of broken inversion symmetry. On the other hand, valley polarization and perfect CD occur exclusively in the phase diagram. Further, for the four regions of the phase diagram, pseudospin polarization occurs at the K and K' points in the hexagonal Brillouin zone with either the same sign or opposite sign for the K and K' points and for the valence and conduction bands. This theoretical prediction may have an impact on search for a new optical device that selects circularly polarized light controlled by the electric field.

Lattices for fractional Chern insulators

NASA Astrophysics Data System (ADS)

Repellin, Cécile; Regnault, Nicolas

2018-04-01

Individual electrons are elementary particles, but in some solid-state systems, electrons can act collectively as though they had a fraction of an electron's charge. This emergent behavior is spectacularly observed in two-dimensional (2D) electron gases as the fractional quantum Hall (FQH) effect in the form of a fractional quantized transverse (or Hall) conductivity and in shot-noise experiments. These experiments require low temperatures and very large magnetic fields in order to create strong electron interactions. This latter condition now appears not to be as essential as originally thought. On page 62 of this issue, Spanton et al. (1) report on an experimental platform based on bilayer graphene that forms a moiré pattern with an encapsulating hexagonal boron nitride layer. They observed incompressible phases with a fractional filling of the band structure with a nonzero Chern number (it has quantized properties robust to local perturbations, or topologically invariant). Some of which have no analog in traditional FQH systems (see the figure).

Recent advances in preparation, properties and device applications of two-dimensional h-BN and its vertical heterostructures

NASA Astrophysics Data System (ADS)

Yang, Huihui; Gao, Feng; Dai, Mingjin; Jia, Dechang; Zhou, Yu; Hu, Pingan

2017-03-01

Two-dimensional (2D) layered materials, such as graphene, hexagonal boron nitride (h-BN), molybdenum disulfide (MoS{}2 ), have attracted tremendous interest due to their atom-thickness structures and excellent physical properties. h-BN has predominant advantages as the dielectric substrate in FET devices due to its outstanding properties such as chemically inert surface, being free of dangling bonds and surface charge traps, especially the large-band-gap insulativity. h-BN involved vertical heterostructures have been widely exploited during the past few years. Such heterostructures adopting h-BN as dielectric layers exhibit enhanced electronic performance, and provide further possibilities for device engineering. Besides, a series of intriguing physical phenomena are observed in certain vertical heterostructures, such as superlattice potential induced replication of Dirac points, band gap tuning, Hofstadter butterfly states, gate-dependent pseudospin mixing. Herein we focus on the rapid developments of h-BN synthesis and fabrication of vertical heterostructures devices based on h-BN, and review the novel properties as well as the potential applications of the heterostructures composed of h-BN. Project supported by the National Natural Science Foundation of China (Nos. 61390502, 21373068), the National Basic Research Program of China (No. 2013CB632900), the Foundation for Innovative Research Groups of the National Natural Science Foundation of China (No. 51521003), and the Self-Planned Task of State Key Laboratory of Robotics and System (No. SKLRS201607B).

Cerium-doped -Ni(OH)2 hexagon nanosheets: an effective photocatalyst for degradation of the emerging water pollutant naproxen.

PubMed

Regmi, Chhabilal; Maya-Flores, Etel; Lee, Soo Wohn; Rodríguez-González, Vicente

2018-06-21

Nickel hydroxide β-Ni(OH)2 hexagonal nanosheets were synthetized via a hydrothermal exfoliation process. The practical microwave assisted hydrothermal method facilitated obtain layered nickel 3D nanoplates with cerium functionalization in 5h. The as-produced nanostructures were characterized by XRD, XPS, FESEM, FT-IR, PL, UV-vis, and BET techniques. The hydroxilated structures are nano-thick hexagonal plates having sides with 28 nm in length and 5 nm of average thickness. UV and PL irradiation was used to study the photoactive properties in the degradation of a pharmaceutical emerging pollutant, naproxen. UV-vis spectroscopy and high-performance liquid chromatography (HPLC) monitoring indicated that the Ni(OH)2-Ce nanostructures are an effective photocatalyst for naproxen degradation including 40 % of mineralization of this highly recalcitrant drug. The photocatalyst showed stability for two consecutive cycles, preserving its photoactive and structural characteristics. Ce3+ doped nanoplates and surface functionalized Ce4+ act as charge separators and scavenging agents for the enhanced photodegradation of naproxen. © 2018 IOP Publishing Ltd.

Two-dimensional displacement measurement based on two parallel gratings

NASA Astrophysics Data System (ADS)

Wei, Peipei; Lu, Xi; Qiao, Decheng; Zou, Limin; Huang, Xiangdong; Tan, Jiubin; Lu, Zhengang

2018-06-01

In this paper, a two-dimensional (2-D) planar encoder based on two parallel gratings, which includes a scanning grating and scale grating, is presented. The scanning grating is a combined transmission rectangular grating comprised of a 2-D grating located at the center and two one-dimensional (1-D) gratings located at the sides. The grating lines of the two 1-D gratings are perpendicular to each other and parallel with the 2-D grating lines. The scale grating is a 2-D reflective-type rectangular grating placed in parallel with the scanning grating, and there is an angular difference of 45° between the grating lines of the two 2-D gratings. With the special structural design of the scanning grating, the encoder can measure the 2-D displacement in the grating plane simultaneously, and the measured interference signals in the two directions are uncoupled. Moreover, by utilizing the scanning grating to modulate the phase of the interference signals instead of the prisms, the structure of the encoder is compact. Experiments were implemented, and the results demonstrate the validity of the 2-D planar grating encoder.

Calculation of photonic bandgap for 2D hexagonal and square structure base on hybrid polymer material

NASA Astrophysics Data System (ADS)

Hidayat, S.; Riveli, N.

2018-05-01

We have calculated 2D photonic crystal band gap using plane-wave expansion method. The studied model of structures is hexagonal lattice and square lattice of rod cylinder in air. We have simulated the dispersion relation of it structure using hybrid polymer as rod material. The parameter structures are nrod = 1.5, nhole = 1, and rrod = 0.25a, where a is lattice constant. We found the distributed feedback occurs at the edge of upper band or frequency at 0.66 (a/λ). In our experimental work, we have successfully fabricated the 2D photonic crystal from hybrid polymer incorporated with organic dye laser. The lasing characteristics ware investigated using strip-line excitation light of SHG Nd-YAG laser (λ=532 nm). The lasing wavelengths for hexagonal structure are observed at 606 nm and 621 nm for photonic crystal period of 400 nm and 410 nm, respectively. λ=532 nm). Whereas the square structure, the lasing wavelengths are observed at (588 nm ± 2) and (606 nm ± 2 nm) for grating period of 391 nm and 405 nm.

Computational study of packing a collagen-like molecule: quasi-hexagonal vs "Smith" collagen microfibril model.

PubMed

Lee, J; Scheraga, H A; Rackovsky, S

1996-01-01

The lateral packing of a collagen-like molecule, CH3CO-(Gly-L-Pro-L-Pro)4-NHCH3, has been examined by energy minimization with the ECEPP/3 force field. Two current packing models, the Smith collagen microfibril twisted equilateral pentagonal model and the quasi-hexagonal packing model, have been extensively investigated. In treating the Smith microfibril model, energy minimization was carried out on various conformations including those with the symmetry of equivalent packing, i.e., in which the triple helices were arranged equivalently with respect to each other. Both models are based on the experimental observation of the characteristic axial periodicity, D = 67 nm, of light and dark bands, indicating that, if any superstructure exists, it should consist of five triple helices. The quasi-hexagonal packing structure is found to be energetically more favorable than the Smith microfibril model by as much as 31.2 kcal/mol of five triple helices. This is because the quasi-hexagonal packing geometry provides more nonbonded interaction possibilities between triple helices than does the Smith microfibril geometry. Our results are consistent with recent x-ray studies with synthetic collagen-like molecules and rat tail tendon, in which the data were interpreted as being consistent with either a quasi-hexagonal or a square-triangular structure.

Evanescent Properties of Optical Diffraction from 2-Dimensional Hexagonal Photonic Crystals and Their Sensor Applications.

PubMed

Liao, Yu-Yang; Chen, Yung-Tsan; Chen, Chien-Chun; Huang, Jian-Jang

2018-04-03

The sensitivity of traditional diffraction grating sensors is limited by the spatial resolution of the measurement setup. Thus, a large space is required to improve sensor performance. Here, we demonstrate a compact hexagonal photonic crystal (PhC) optical sensor with high sensitivity. PhCs are able to diffract optical beams to various angles in azimuthal space. The critical wavelength that satisfies the phase matching or becomes evanescent was used to benchmark the refractive index of a target analyte applied on a PhC sensor. Using a glucose solution as an example, our sensor demonstrated very high sensitivity and a low limit of detection. This shows that the diffraction mechanism of hexagonal photonic crystals can be used for sensors when compact size is a concern.

Unusual two-dimensional behavior of iron-based superconductors with low anisotropy

NASA Astrophysics Data System (ADS)

Kalenyuk, A. A.; Pagliero, A.; Borodianskyi, E. A.; Aswartham, S.; Wurmehl, S.; Büchner, B.; Chareev, D. A.; Kordyuk, A. A.; Krasnov, V. M.

2017-10-01

We study angular-dependent magnetoresistance in iron-based superconductors Ba1 -xNaxFe2As2 and FeTe1 -xSex . Both superconductors have relatively small anisotropies γ ˜2 and exhibit a three-dimensional (3D) behavior at low temperatures. However, we observe that they start to exhibit a profound two-dimensional behavior at elevated temperatures and in applied magnetic field parallel to the surface. We conclude that the unexpected two-dimensional (2D) behavior of the studied low-anisotropic superconductors is not related to layeredness of the materials, but is caused by appearance of surface superconductivity when magnetic field exceeds the upper critical field Hc 2(T ) for destruction of bulk superconductivity. We argue that the corresponding 3D-2D bulk-to-surface dimensional transition can be used for accurate determination of the upper critical field.

On the application of a fast polynomial transform and the Chinese remainder theorem to compute a two-dimensional convolution

NASA Technical Reports Server (NTRS)

Truong, T. K.; Lipes, R.; Reed, I. S.; Wu, C.

1980-01-01

A fast algorithm is developed to compute two dimensional convolutions of an array of d sub 1 X d sub 2 complex number points, where d sub 2 = 2(M) and d sub 1 = 2(m-r+) for some 1 or = r or = m. This algorithm requires fewer multiplications and about the same number of additions as the conventional fast fourier transform method for computing the two dimensional convolution. It also has the advantage that the operation of transposing the matrix of data can be avoided.

Multifunctional tunneling devices based on graphene/h-BN/MoSe2 van der Waals heterostructures

NASA Astrophysics Data System (ADS)

Cheng, Ruiqing; Wang, Feng; Yin, Lei; Xu, Kai; Ahmed Shifa, Tofik; Wen, Yao; Zhan, Xueying; Li, Jie; Jiang, Chao; Wang, Zhenxing; He, Jun

2017-04-01

The vertically stacked devices based on van der Waals heterostructures (vdWHs) of two-dimensional layered materials (2DLMs) have attracted considerable attention due to their superb properties. As a typical structure, graphene/hexagonal boron nitride (h-BN)/graphene vdWH has been proved possible to make tunneling devices. Compared with graphene, transition metal dichalcogenides possess intrinsic bandgap, leading to high performance of electronic devices. Here, tunneling devices based on graphene/h-BN/MoSe2 vdWHs are designed for multiple functions. On the one hand, the device shows a typical tunneling field-effect transistor behavior. A high on/off ratio of tunneling current (5 × 103) and an ultrahigh current rectification ratio (7 × 105) are achieved, which are attributed to relatively small electronic affinity of MoSe2 and optimized thickness of h-BN. On the other hand, the same structure also realizes 2D non-volatile memory with a high program/erase current ratio (>105), large memory window (˜150 V from ±90 V), and good retention characteristic. These results could enhance the fundamental understanding of tunneling behavior in vdWHs and contribute to the design of ultrathin rectifiers and memory based on 2DLMs.

Tuning the electronic and optical properties of hexagonal boron-nitride nanosheet by inserting graphene quantum dots

NASA Astrophysics Data System (ADS)

Ding, Yi-Min; Shi, Jun-Jie; Zhang, Min; Wu, Meng; Wang, Hui; Cen, Yu-Lang; Pan, Shu-Hang; Guo, Wen-Hui

2018-02-01

It is difficult to integrate two-dimensional (2D) graphene and hexagonal boron-nitride (h-BN) in optoelectronic nanodevices, due to the semi-metal and insulator characteristic of graphene and h-BN, respectively. Using the state-of-the-art first-principles calculations based on many-body perturbation theory, we investigate the electronic and optical properties of h-BN nanosheet embedded with graphene dots. We find that C atom impurities doped in h-BN nanosheet tend to phase-separate into graphene quantum dots (QD), and BNC hybrid structure, i.e. a graphene dot within a h-BN background, can be formed. The band gaps of BNC hybrid structures have an inverse relationship with the size of graphene dot. The calculated optical band gaps for BNC structures vary from 4.71 eV to 3.77 eV, which are much smaller than that of h-BN nanosheet. Furthermore, the valence band maximum is located in C atoms bonded to B atoms and conduction band minimum is located in C atoms bonded to N atoms, which means the electron and hole wave functions are closely distributed around the graphene dot. The bound excitons, localized around the graphene dot, determine the optical spectra of the BNC hybrid structures, in which the exciton binding energies decrease with increase in the size of graphene dots. Our results provide an important theoretical basis for the design and development of BNC-based optoelectronic nanodevices.

Optical and magnetic properties of free-standing silicene, germanene and T-graphene system

NASA Astrophysics Data System (ADS)

Chowdhury, Suman; Bandyopadhyay, Arka; Dhar, Namrata; Jana, Debnarayan

2017-05-01

The physics of two-dimensional (2D) materials is always intriguing in their own right. For all of these elemental 2D materials, a generic characteristic feature is that all the atoms of the materials are exposed on the surface, and thus tuning the structure and physical properties by surface treatments becomes very easy and straightforward. The discovery of graphene have fostered intensive research interest in the field of graphene like 2D materials such as silicene and germanene (hexagonal network of silicon and germanium, respectively). In contrast to the planar graphene lattice, the silicene and germanene honeycomb lattice is slightly buckled and composed of two vertically displaced sublattices.The magnetic properties were studied by introducing mono- and di-vacancy (DV), as well as by doping phosphorus and aluminium into the pristine silicene. It is observed that there is no magnetism in the mono-vacancy system, while there is large significant magnetic moment present for the DV system. The optical anisotropy of four differently shaped silicene nanodisks has revealed that diamond-shaped (DS) silicene nanodisk possesses highest static dielectric constant having no zero-energy states. The study of optical properties in silicene nanosheet network doped by aluminium (Al), phosphorus (P) and aluminium-phosphorus (Al-P) atoms has revealed that unlike graphene, no new electron energy loss spectra (EELS) peak occurs irrespective of doping type for parallel polarization. Tetragonal graphene (T-graphene) having non-equivalent (two kinds) bonds and non-honeycomb structure shows Dirac-like fermions and high Fermi velocity. The higher stability, large dipole moment along with high-intensity Raman active modes are observed in N-doped T-graphene. All these theoretical results may shed light on device fabrication in nano-optoelectronic technology and material characterization techniques in T-graphene, doped silicene, and germanene.

1-Dimensional AgVO3 nanowires hybrid with 2-dimensional graphene nanosheets to create 3-dimensional composite aerogels and their improved electrochemical properties

NASA Astrophysics Data System (ADS)

Liang, Liying; Xu, Yimeng; Lei, Yong; Liu, Haimei

2014-03-01

Three-dimensional (3D) porous composite aerogels have been synthesized via an innovative in situ hydrothermal method assisted by a freeze-drying process. In this hybrid structure, one-dimensional (1D) AgVO3 nanowires are uniformly dispersed on two-dimensional (2D) graphene nanosheet surfaces and/or are penetrated through the graphene sheets, forming 3D porous composite aerogels. As cathode materials for lithium-ion batteries, the composite aerogels exhibit high discharge capacity, excellent rate capability, and good cycling stability.Three-dimensional (3D) porous composite aerogels have been synthesized via an innovative in situ hydrothermal method assisted by a freeze-drying process. In this hybrid structure, one-dimensional (1D) AgVO3 nanowires are uniformly dispersed on two-dimensional (2D) graphene nanosheet surfaces and/or are penetrated through the graphene sheets, forming 3D porous composite aerogels. As cathode materials for lithium-ion batteries, the composite aerogels exhibit high discharge capacity, excellent rate capability, and good cycling stability. Electronic supplementary information (ESI) available: Preparation, characterization, SEM images, XRD patterns, and XPS of AgVO3/GAs. See DOI: 10.1039/c3nr06899d

Green Fabrication of Ultrathin Co3O4 Nanosheets from Metal-Organic Framework for Robust High-Rate Supercapacitors.

PubMed

Xiao, Zhenyu; Fan, Lili; Xu, Ben; Zhang, Shanqing; Kang, Wenpei; Kang, Zixi; Lin, Huan; Liu, Xiuping; Zhang, Shiyu; Sun, Daofeng

2017-12-06

Two-dimensional cobalt oxide (Co 3 O 4 ) is a promising candidate for robust electrochemical capacitors with high performance. Herein, we use 2,3,5,6-tetramethyl-1,4-diisophthalate as a recyclable ligand to construct a Co-based metal-organic framework of UPC-9, and subsequently, we obtain ultrathin hierarchical Co 3 O 4 hexagonal nanosheets with a thickness of 3.5 nm through a hydrolysis and calcination process. A remarkable and excellent specific capacitance of 1121 F·g -1 at a current density of 1 A·g -1 and 873 F·g -1 at a current density of 25 A·g -1 were achieved for the as-prepared asymmetric supercapacitor, which can be attributed to the ultrathin 2D morphology and the rich macroporous and mesoporous structures of the ultrathin Co 3 O 4 nanosheets. This synthesis strategy is environmentally benign and economically viable due to the fact that the costly organic ligand molecules are recycled, reducing the materials cost as well as the environmental cost for the synthesis process.

Two-dimensional vocal tracts with three-dimensional behavior in the numerical generation of vowels.

PubMed

Arnela, Marc; Guasch, Oriol

2014-01-01

Two-dimensional (2D) numerical simulations of vocal tract acoustics may provide a good balance between the high quality of three-dimensional (3D) finite element approaches and the low computational cost of one-dimensional (1D) techniques. However, 2D models are usually generated by considering the 2D vocal tract as a midsagittal cut of a 3D version, i.e., using the same radius function, wall impedance, glottal flow, and radiation losses as in 3D, which leads to strong discrepancies in the resulting vocal tract transfer functions. In this work, a four step methodology is proposed to match the behavior of 2D simulations with that of 3D vocal tracts with circular cross-sections. First, the 2D vocal tract profile becomes modified to tune the formant locations. Second, the 2D wall impedance is adjusted to fit the formant bandwidths. Third, the 2D glottal flow gets scaled to recover 3D pressure levels. Fourth and last, the 2D radiation model is tuned to match the 3D model following an optimization process. The procedure is tested for vowels /a/, /i/, and /u/ and the obtained results are compared with those of a full 3D simulation, a conventional 2D approach, and a 1D chain matrix model.

A series of three-dimensional lanthanide coordination polymers with rutile and unprecedented rutile-related topologies.

PubMed

Qin, Chao; Wang, Xin-Long; Wang, En-Bo; Su, Zhong-Min

2005-10-03

The complexes of formulas Ln(pydc)(Hpydc) (Ln = Sm (1), Eu (2), Gd (3); H2pydc = pyridine-2,5-dicarboxylic acid) and Ln(pydc)(bc)(H2O) (Ln = Sm (4), Gd (5); Hbc = benzenecarboxylic acid) have been synthesized under hydrothermal conditions and characterized by elemental analysis, IR, TG analysis, and single-crystal X-ray diffraction. Compounds 1-3 are isomorphous and crystallize in the orthorhombic system, space group Pbcn. Their final three-dimensional racemic frameworks can be considered as being constructed by helix-linked scalelike sheets. Compounds 4 and 5 are isostructural and crystallize in the monoclinic system, space group P2(1)/c. pydc ligands bridge dinuclear lanthanide centers to form the three-dimensional frameworks featuring hexagonal channels along the a-axis that are occupied by one-end-coordinated bc ligands. From the topological point of view, the five three-dimensional nets are binodal with six- and three-connected nodes, the former of which exhibit a rutile-related (4.6(2))(2)(4(2).6(9).8(4)) topology that is unprecedented within coordination frames, and the latter two species display a distorted rutile (4.6(2))(2)(4(2).6(10).8(3)) topology. Furthermore, the luminescent properties of 2 were studied.

Photoelectrodes based on 2D opals assembled from Cu-delafossite double-shelled microspheres for an enhanced photoelectrochemical response.

PubMed

Oh, Yunjung; Yang, Wooseok; Tan, Jeiwan; Lee, Hyungsoo; Park, Jaemin; Moon, Jooho

2018-02-22

Although a unique light-harvesting property was recently demonstrated in a photocathode based on 2-dimensional (2D) opals of CuFeO 2 -shelled SiO 2 microspheres, the performance of a monolayer of ultra-thin CuFeO 2 -shelled microspheres is limited by ineffective charge separation. Herein, we propose an innovative design rule, in which an inner CuFeO 2 /outer CuAlO 2 double-shelled heterojunction is formed on each partially etched microsphere to obtain a hexagonally assembled 2D opal photoelectrode. Our Cu-delafossite double-shelled photocathode shows a dramatically improved charge separation capability, with a 9-fold increase in the photocurrent compared to that of the single-shelled counterpart. Electrochemical impedance spectroscopy clearly confirms the reduced charge transport/transfer resistance associated with the Cu-delafossite double-shelled photocathode, while surface photovoltage spectra reveal enhanced polarization of the photogenerated carrier, indicating improved charge separation capability with the aid of the heterojunction. Our finding sheds light on the importance of heterojunction interfaces in achieving optimal charge separation in opal architectures as well as the inner-shell/electrolyte interface to expedite charge separation/transport.

Dynamic three-dimensional display of common congenital cardiac defects from reconstruction of two-dimensional echocardiographic images.

PubMed

Hsieh, K S; Lin, C C; Liu, W S; Chen, F L

1996-01-01

Two-dimensional echocardiography had long been a standard diagnostic modality for congenital heart disease. Further attempts of three-dimensional reconstruction using two-dimensional echocardiographic images to visualize stereotypic structure of cardiac lesions have been successful only recently. So far only very few studies have been done to display three-dimensional anatomy of the heart through two-dimensional image acquisition because such complex procedures were involved. This study introduced a recently developed image acquisition and processing system for dynamic three-dimensional visualization of various congenital cardiac lesions. From December 1994 to April 1995, 35 cases were selected in the Echo Laboratory here from about 3000 Echo examinations completed. Each image was acquired on-line with specially designed high resolution image grazmber with EKG and respiratory gating technique. Off-line image processing using a window-architectured interactive software package includes construction of 2-D ehcocardiographic pixel to 3-D "voxel" with conversion of orthogonal to rotatory axial system, interpolation, extraction of region of interest, segmentation, shading and, finally, 3D rendering. Three-dimensional anatomy of various congenital cardiac defects was shown, including four cases with ventricular septal defects, two cases with atrial septal defects, and two cases with aortic stenosis. Dynamic reconstruction of a "beating heart" is recorded as vedio tape with video interface. The potential application of 3D display of the reconstruction from 2D echocardiographic images for the diagnosis of various congenital heart defects has been shown. The 3D display was able to improve the diagnostic ability of echocardiography, and clear-cut display of the various congenital cardiac defects and vavular stenosis could be demonstrated. Reinforcement of current techniques will expand future application of 3D display of conventional 2D images.

Large Reduction of Hot Spot Temperature in Graphene Electronic Devices with Heat-Spreading Hexagonal Boron Nitride.

PubMed

Choi, David; Poudel, Nirakar; Park, Saungeun; Akinwande, Deji; Cronin, Stephen B; Watanabe, Kenji; Taniguchi, Takashi; Yao, Zhen; Shi, Li

2018-04-04

Scanning thermal microscopy measurements reveal a significant thermal benefit of including a high thermal conductivity hexagonal boron nitride (h-BN) heat-spreading layer between graphene and either a SiO 2 /Si substrate or a 100 μm thick Corning flexible Willow glass (WG) substrate. At the same power density, an 80 nm thick h-BN layer on the silicon substrate can yield a factor of 2.2 reduction of the hot spot temperature, whereas a 35 nm thick h-BN layer on the WG substrate is sufficient to obtain a factor of 4.1 reduction. The larger effect of the h-BN heat spreader on WG than on SiO 2 /Si is attributed to a smaller effective heat transfer coefficient per unit area for three-dimensional heat conduction into the thick, low-thermal conductivity WG substrate than for one-dimensional heat conduction through the thin oxide layer on silicon. Consequently, the h-BN lateral heat-spreading length is much larger on WG than on SiO 2 /Si, resulting in a larger degree of temperature reduction.

Strong Rashba effect in the localized impurity states of halogen-doped monolayer PtSe2

NASA Astrophysics Data System (ADS)

Absor, Moh. Adhib Ulil; Santoso, Iman; Harsojo, Abraha, Kamsul; Kotaka, Hiroki; Ishii, Fumiyuki; Saito, Mineo

2018-05-01

The recent epitaxial growth of the 1 T phase of the PtSe2 monolayer (ML) has opened the possibility for novel applications, in particular for a spintronics device. However, in contrast to the 2 H phase of transition-metal dichalcogenides (TMDs), the absence of spin splitting in the PtSe2 ML may limit the functionality for spintronics application. Through fully relativistic density-functional theory calculations, we show that large spin splitting can be induced in the PtSe2 ML by introducing a substitutional halogen impurity. Depending on the atomic number Z of the halogen dopants, we observe an enhancement of the spin splitting in the localized impurity states (LIS), which is due to the increased contribution of the p -d orbital coupling. More importantly, we identify very large Rashba splitting in the LIS near the Fermi level around the Γ point characterized by hexagonal warping of the Fermi surface. We show that the Rashba splitting can be controlled by adjusting the doping concentration. Therefore, this work provides a possible way to induce significant Rashba splitting in the two-dimensional TMDs, which is useful for spintronic devices operating at room temperature.

Measuring Intrinsic Curvature of Space with Electromagnetism

ERIC Educational Resources Information Center

Mabin, Mason; Becker, Maria; Batelaan, Herman

2016-01-01

The concept of curved space is not readily observable in everyday life. The educational movie "Sphereland" attempts to illuminate the idea. The main character, a hexagon, has to go to great lengths to prove that her world is in fact curved. We present an experiment that demonstrates a new way to determine if a two-dimensional surface,…

A template-free solvent-mediated synthesis of high surface area boron nitride nanosheets for aerobic oxidative desulfurization.

PubMed

Wu, Peiwen; Zhu, Wenshuai; Chao, Yanhong; Zhang, Jinshui; Zhang, Pengfei; Zhu, Huiyuan; Li, Changfeng; Chen, Zhigang; Li, Huaming; Dai, Sheng

2016-01-04

Hexagonal boron nitride nanosheets (h-BNNs) with rather high specific surface area (SSA) are important two-dimensional layer-structured materials. Here, a solvent-mediated synthesis of h-BNNs revealed a template-free lattice plane control strategy that induced high SSA nanoporous structured h-BNNs with outstanding aerobic oxidative desulfurization performance.

Young Infants' Perception of the Trajectories of Two- and Three-Dimensional Objects

ERIC Educational Resources Information Center

Johnson, Scott P.; Bremner, J. Gavin; Slater, Alan M.; Shuwairi, Sarah M.; Mason, Uschi; Spring, Jo; Usherwood, Barrie

2012-01-01

We investigated oculomotor anticipations in 4-month-old infants as they viewed center-occluded object trajectories. In two experiments, we examined performance in two-dimensional (2D) and three-dimensional (3D) dynamic occlusion displays and in an additional 3D condition with a smiley face as the moving target stimulus. Rates of anticipatory eye…

Data processing from lobster eye type optics

NASA Astrophysics Data System (ADS)

Nentvich, Ondrej; Stehlikova, Veronika; Urban, Martin; Hudec, Rene; Sieger, Ladislav

2017-05-01

Wolter I optics are commonly used for imaging in X-Ray spectrum. This system uses two reflections, and at higher energies, this system is not so much efficient but has a very good optical resolution. Here is another type of optics Lobster Eye, which is using also two reflections for focusing rays in Schmidt's or Angel's arrangement. Here is also possible to use Lobster eye optics as two one dimensional independent optics. This paper describes advantages of one dimensional and two dimensional Lobster Eye optics in Schmidt's arrangement and its data processing - find out a number of sources in wide field of view. Two dimensional (2D) optics are suitable to detect the number of point X-ray sources and their magnitude, but it is necessary to expose for a long time because a 2D system has much lower transitivity, due to double reflection, compared to one dimensional (1D) optics. Not only for this reason, two 1D optics are better to use for lower magnitudes of sources. In this case, additional image processing is necessary to achieve a 2D image. This article describes of approach an image reconstruction and advantages of two 1D optics without significant losses of transitivity.

Thickness determination of few-layer hexagonal boron nitride films by scanning electron microscopy and Auger electron spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sutter, P., E-mail: psutter@bnl.gov; Sutter, E.

2014-09-01

We assess scanning electron microscopy (SEM) and Auger electron spectroscopy (AES) for thickness measurements on few-layer hexagonal boron nitride (h-BN), the layered dielectric of choice for integration with graphene and other two-dimensional materials. Observations on h-BN islands with large, atomically flat terraces show that the secondary electron intensity in SEM reflects monolayer height changes in films up to least 10 atomic layers thickness. From a quantitative analysis of AES data, the energy-dependent electron escape depth in h-BN films is deduced. The results show that AES is suitable for absolute thickness measurements of few-layer h-BN of 1 to 6 layers.

Energetics and formation mechanism of borders between hexagonal boron nitride and graphene

NASA Astrophysics Data System (ADS)

Sawahata, Hisaki; Yamanaka, Ayaka; Maruyama, Mina; Okada, Susumu

2018-06-01

We studied the energetics of two-dimensional heterostructures consisting of hexagonal boron nitride (h-BN) and graphene with respect to the border structure and heterobond species using density functional theory. A BC heterobond is energetically preferable at the border between h-BN and graphene. We also found that the polarization at the zigzag border increases the total energy of the heterostructures. Competition between the bond formation energy and the polarization energy leads to chiral borders at which BC heterobonds are dominant. By taking the formation process of the heterostructures into account, the zigzag border with BC heterobonds is found to be preferentially synthesized from graphene edges under hydrogen-rich conditions.

The self-organization of grid cells in 3D

PubMed Central

Stella, Federico; Treves, Alessandro

2015-01-01

Do we expect periodic grid cells to emerge in bats, or perhaps dolphins, exploring a three-dimensional environment? How long will it take? Our self-organizing model, based on ring-rate adaptation, points at a complex answer. The mathematical analysis leads to asymptotic states resembling face centered cubic (FCC) and hexagonal close packed (HCP) crystal structures, which are calculated to be very close to each other in terms of cost function. The simulation of the full model, however, shows that the approach to such asymptotic states involves several sub-processes over distinct time scales. The smoothing of the initially irregular multiple fields of individual units and their arrangement into hexagonal grids over certain best planes are observed to occur relatively quickly, even in large 3D volumes. The correct mutual orientation of the planes, though, and the coordinated arrangement of different units, take a longer time, with the network showing no sign of convergence towards either a pure FCC or HCP ordering. DOI: http://dx.doi.org/10.7554/eLife.05913.001 PMID:25821989

Two-dimensional auto-correlation analysis and Fourier-transform analysis of second-harmonic-generation image for quantitative analysis of collagen fiber in human facial skin

NASA Astrophysics Data System (ADS)

Ogura, Yuki; Tanaka, Yuji; Hase, Eiji; Yamashita, Toyonobu; Yasui, Takeshi

2018-02-01

We compare two-dimensional auto-correlation (2D-AC) analysis and two-dimensional Fourier transform (2D-FT) for evaluation of age-dependent structural change of facial dermal collagen fibers caused by intrinsic aging and extrinsic photo-aging. The age-dependent structural change of collagen fibers for female subjects' cheek skin in their 20s, 40s, and 60s were more noticeably reflected in 2D-AC analysis than in 2D-FT analysis. Furthermore, 2D-AC analysis indicated significantly higher correlation with the skin elasticity measured by Cutometer® than 2D-AC analysis. 2D-AC analysis of SHG image has a high potential for quantitative evaluation of not only age-dependent structural change of collagen fibers but also skin elasticity.

Temperature-dependent layer breathing modes in two-dimensional materials

NASA Astrophysics Data System (ADS)

Maity, Indrajit; Maiti, Prabal K.; Jain, Manish

2018-04-01

Relative out-of-plane displacements of the constituent layers of two-dimensional materials give rise to unique low-frequency breathing modes. By computing the height-height correlation functions from molecular dynamics simulations, we show that the layer breathing modes (LBMs) can be mapped consistently to vibrations of a simple linear chain model. Our calculated thickness dependence of LBM frequencies for few-layer (FL) graphene and molybdenum disulfide (MoS2) are in excellent agreement with available experiments. Our results show a redshift of LBM frequency with an increase in temperature, which is a direct consequence of anharmonicities present in the interlayer interaction. We also predict the thickness and temperature dependence of LBM frequencies for FL hexagonal boron nitride. Our Rapid Communication provides a simple and efficient way to probe the interlayer interaction for layered materials and their heterostructures with the inclusion of anharmonic effects.

TakeTwo: an indexing algorithm suited to still images with known crystal parameters

PubMed Central

Ginn, Helen Mary; Roedig, Philip; Kuo, Anling; Evans, Gwyndaf; Sauter, Nicholas K.; Ernst, Oliver; Meents, Alke; Mueller-Werkmeister, Henrike; Miller, R. J. Dwayne; Stuart, David Ian

2016-01-01

The indexing methods currently used for serial femtosecond crystallography were originally developed for experiments in which crystals are rotated in the X-ray beam, providing significant three-dimensional information. On the other hand, shots from both X-ray free-electron lasers and serial synchrotron crystallo­graphy experiments are still images, in which the few three-dimensional data available arise only from the curvature of the Ewald sphere. Traditional synchrotron crystallography methods are thus less well suited to still image data processing. Here, a new indexing method is presented with the aim of maximizing information use from a still image given the known unit-cell dimensions and space group. Efficacy for cubic, hexagonal and orthorhombic space groups is shown, and for those showing some evidence of diffraction the indexing rate ranged from 90% (hexagonal space group) to 151% (cubic space group). Here, the indexing rate refers to the number of lattices indexed per image. PMID:27487826

TakeTwo: an indexing algorithm suited to still images with known crystal parameters

DOE PAGES

Ginn, Helen Mary; Roedig, Philip; Kuo, Anling; ...

2016-08-01

The indexing methods currently used for serial femtosecond crystallography were originally developed for experiments in which crystals are rotated in the X-ray beam, providing significant three-dimensional information. On the other hand, shots from both X-ray free-electron lasers and serial synchrotron crystallography experiments are still images, in which the few three-dimensional data available arise only from the curvature of the Ewald sphere. Traditional synchrotron crystallography methods are thus less well suited to still image data processing. Here, a new indexing method is presented with the aim of maximizing information use from a still image given the known unit-cell dimensions and spacemore » group. Efficacy for cubic, hexagonal and orthorhombic space groups is shown, and for those showing some evidence of diffraction the indexing rate ranged from 90% (hexagonal space group) to 151% (cubic space group). Here, the indexing rate refers to the number of lattices indexed per image.« less

Nonequilibrium phase transitions of sheared colloidal microphases: Results from dynamical density functional theory

NASA Astrophysics Data System (ADS)

Stopper, Daniel; Roth, Roland

2018-06-01

By means of classical density functional theory and its dynamical extension, we consider a colloidal fluid with spherically symmetric competing interactions, which are well known to exhibit a rich bulk phase behavior. This includes complex three-dimensional periodically ordered cluster phases such as lamellae, two-dimensional hexagonally packed cylinders, gyroid structures, or spherical micelles. While the bulk phase behavior has been studied extensively in earlier work, in this paper we focus on such structures confined between planar repulsive walls under shear flow. For sufficiently high shear rates, we observe that microphase separation can become fully suppressed. For lower shear rates, however, we find that, e.g., the gyroid structure undergoes a kinetic phase transition to a hexagonally packed cylindrical phase, which is found experimentally and theoretically in amphiphilic block copolymer systems. As such, besides the known similarities between the latter and colloidal systems regarding the equilibrium phase behavior, our work reveals further intriguing nonequilibrium relations between copolymer melts and colloidal fluids with competing interactions.

Rich interfacial chemistry and properties of carbon-doped hexagonal boron nitride nanosheets revealed by electronic structure calculations

NASA Astrophysics Data System (ADS)

Xie, Wei; Tamura, Takahiro; Yanase, Takashi; Nagahama, Taro; Shimada, Toshihiro

2018-04-01

The effect of C doping to hexagonal boron nitride (h-BN) to its electronic structure is examined by first principles calculations using the association from π-electron systems of organic molecules embedded in a two-dimensional insulator. In a monolayered carbon-doped structure, odd-number doping with carbon atoms confers metallic properties with different work functions. Various electronic interactions occur between two layers with odd-number carbon substitution. A direct sp3 covalent chemical bond is formed when C replaces adjacent B and N in different layers. A charge transfer complex between layers is found when C replaces B and N in the next-neighboring region, which results in narrower band gaps (e.g., 0.37 eV). Direct bonding between C and B atoms is found when two C atoms in different layers are at a certain distance.

Design and Fabrication of 3D printed Scaffolds with a Mechanical Strength Comparable to Cortical Bone to Repair Large Bone Defects

PubMed Central

Roohani-Esfahani, Seyed-Iman; Newman, Peter; Zreiqat, Hala

2016-01-01

A challenge in regenerating large bone defects under load is to create scaffolds with large and interconnected pores while providing a compressive strength comparable to cortical bone (100–150 MPa). Here we design a novel hexagonal architecture for a glass-ceramic scaffold to fabricate an anisotropic, highly porous three dimensional scaffolds with a compressive strength of 110 MPa. Scaffolds with hexagonal design demonstrated a high fatigue resistance (1,000,000 cycles at 1–10 MPa compressive cyclic load), failure reliability and flexural strength (30 MPa) compared with those for conventional architecture. The obtained strength is 150 times greater than values reported for polymeric and composite scaffolds and 5 times greater than reported values for ceramic and glass scaffolds at similar porosity. These scaffolds open avenues for treatment of load bearing bone defects in orthopaedic, dental and maxillofacial applications. PMID:26782020

Design and Fabrication of 3D printed Scaffolds with a Mechanical Strength Comparable to Cortical Bone to Repair Large Bone Defects

NASA Astrophysics Data System (ADS)

Roohani-Esfahani, Seyed-Iman; Newman, Peter; Zreiqat, Hala

2016-01-01

A challenge in regenerating large bone defects under load is to create scaffolds with large and interconnected pores while providing a compressive strength comparable to cortical bone (100-150 MPa). Here we design a novel hexagonal architecture for a glass-ceramic scaffold to fabricate an anisotropic, highly porous three dimensional scaffolds with a compressive strength of 110 MPa. Scaffolds with hexagonal design demonstrated a high fatigue resistance (1,000,000 cycles at 1-10 MPa compressive cyclic load), failure reliability and flexural strength (30 MPa) compared with those for conventional architecture. The obtained strength is 150 times greater than values reported for polymeric and composite scaffolds and 5 times greater than reported values for ceramic and glass scaffolds at similar porosity. These scaffolds open avenues for treatment of load bearing bone defects in orthopaedic, dental and maxillofacial applications.

Monodisperse mesoporous silica nanoparticles of distinct topology.

PubMed

Luo, Leilei; Liang, Yucang; Erichsen, Egil Sev; Anwander, Reiner

2017-06-01

Monodisperse and uniform high-quality MCM(Mobil Composition of Matter)-48-type CMSNs (Cubic Mesoporous Silica Nanoparticles) are readily prepared by simply optimizing the molar ratio of ethanol and surfactant in the system TEOS-CTAB-NaOH-H 2 O-EtOH (TEOS=tetraethyl orthosilicate, CTAB=cetyltrimethylammonium bromide, EtOH=ethanol). In the absence of ethanol only hexagonal mesoporous silica with ellipsoidal and spherical morphology are obtained. The presence of ethanol drives a mesophase transformation from hexagonal to mixed hexagonal/cubic, further to purely cubic, and finally to a mixed cubic/lamellar. This is accompanied by a morphology evolution involving a mixture of ellipses/spheres, regular rods, uniform spheres, and finally a mixture of spheres/flakes. Preserving the three-dimensional (3D) cubic MCM-48 structure, use of a small amount of ethanol is beneficial to the improvement of the monodispersity of the CMSNs. Moreover, the quality of the CMSNs can also be controlled by changing the surfactant concentration or adjusting the stirring rate. All MSNs were characterized using powder X-ray diffraction, transmission electron microscopy, scanning electron microscopy, and N 2 physisorption, indicating highly long-range ordered pore arrays, high specific surface areas (max. 1173 m 2 g -1 ) as well as high pore volumes (max. 1.14 cm 3 g -1 ). The monodispersity of the CMSNs was verified by statistical particle size distribution from SEM (scanning electron microscopy)/TEM (transmission electron microscopy) images and DLS (dynamic light scattering). The mesophase transformation can be rationalized on the basis of an ethanol-driven change of the surfactant packing structure and charge matching at the surfactant/silicate interface. The corresponding morphology evolution can be elucidated by an ethanol-controlled hydrolysis rate of TEOS and degree of condensation of oligomeric silicate species via a nucleation and growth process. Copyright © 2017 Elsevier Inc. All rights reserved.

Synthesis of large-area multilayer hexagonal boron nitride for high material performance

PubMed Central

Kim, Soo Min; Hsu, Allen; Park, Min Ho; Chae, Sang Hoon; Yun, Seok Joon; Lee, Joo Song; Cho, Dae-Hyun; Fang, Wenjing; Lee, Changgu; Palacios, Tomás; Dresselhaus, Mildred; Kim, Ki Kang; Lee, Young Hee; Kong, Jing

2015-01-01

Although hexagonal boron nitride (h-BN) is a good candidate for gate-insulating materials by minimizing interaction from substrate, further applications to electronic devices with available two-dimensional semiconductors continue to be limited by flake size. While monolayer h-BN has been synthesized on Pt and Cu foil using chemical vapour deposition (CVD), multilayer h-BN is still absent. Here we use Fe foil and synthesize large-area multilayer h-BN film by CVD with a borazine precursor. These films reveal strong cathodoluminescence and high mechanical strength (Young's modulus: 1.16±0.1 TPa), reminiscent of formation of high-quality h-BN. The CVD-grown graphene on multilayer h-BN film yields a high carrier mobility of ∼24,000 cm2 V−1 s−1 at room temperature, higher than that (∼13,000 2 V−1 s−1) with exfoliated h-BN. By placing additional h-BN on a SiO2/Si substrate for a MoS2 (WSe2) field-effect transistor, the doping effect from gate oxide is minimized and furthermore the mobility is improved by four (150) times. PMID:26507400

Two-dimensional fluorescence-detected coherent spectroscopy with absolute phasing by confocal imaging of a dynamic grating and 27-step phase-cycling

DOE Office of Scientific and Technical Information (OSTI.GOV)

De, Arijit K., E-mail: akde@lbl.gov; Fleming, Graham R., E-mail: grfleming@lbl.gov; Department of Chemistry, University of California at Berkeley, Berkeley, California 94702

2014-05-21

We present a novel experimental scheme for two-dimensional fluorescence-detected coherent spectroscopy (2D-FDCS) using a non-collinear beam geometry with the aid of “confocal imaging” of dynamic (population) grating and 27-step phase-cycling to extract the signal. This arrangement obviates the need for distinct experimental designs for previously developed transmission detected non-collinear two-dimensional coherent spectroscopy (2D-CS) and collinear 2D-FDCS. We also describe a novel method for absolute phasing of the 2D spectrum. We apply this method to record 2D spectra of a fluorescent dye in solution at room temperature and observe “spectral diffusion.”.

Vortex properties of two-dimensional superconducting Pb films.

PubMed

Ning, Y X; Song, C L; Wang, Y L; Chen, Xi; Jia, J F; Xue, Q K; Ma, X C

2010-02-17

Using low temperature scanning tunnelling microscopy/spectroscopy (STM/STS) we have investigated the vortex behaviours of two-dimensional superconducting Pb films at different thicknesses. STS at the vortex core shows an evolution of electronic states with film thickness. Transition from the clean limit to the dirty limit of superconductivity is identified, which can be ascribed to the decreased electronic mean free path induced by stronger scattering from the disordered interface at smaller thicknesses. A magnetic field dependent vortex core size is observed even for such a low- κ superconductor. The weak pinning induced by surface defects leads to the formation of a distorted hexagonal vortex lattice.

Isotopic separation of D.sub.2 O from H.sub.2 O using ruthenium adsorbent

DOEpatents

Thiel, Patricia A.

1990-04-10

A method of enrichment of D.sub.2 O in solutions of D.sub.2 O in H.sub.2 O by contacting said solutions in the steam phase with hexagonal crystalline to produce enriched D.sub.2 O. The passages may be repeated to achieve a desired amount of D.sub.2 O.

Magnetic properties of tapiolite (FeTa2O6); a quasi two-dimensional (2D) antiferromagnet

NASA Astrophysics Data System (ADS)

Chung, E. M. L.; Lees, M. R.; McIntyre, G. J.; Wilkinson, C.; Balakrishnan, G.; Hague, J. P.; Visser, D.; McK Paul, D.

2004-11-01

The possibilities of two-dimensional (2D) short-range magnetic correlations and frustration effects in the mineral tapiolite are investigated using bulk-property measurements and neutron Laue diffraction. In this study of the magnetic properties of synthetic single-crystals of tapiolite, we find that single crystals of FeTa2O6 order antiferromagnetically at TN = 7.95 ± 0.05 K, with extensive two-dimensional correlations existing up to at least 40 K. Although we find no evidence that FeTa2O6 is magnetically frustrated, hallmarks of two-dimensional magnetism observed in our single-crystal data include: (i) broadening of the susceptibility maximum due to short-range correlations, (ii) a spin-flop transition and (iii) lambda anomalies in the heat capacity and d(χT)/dT. Complementary neutron Laue diffraction measurements reveal 1D magnetic diffuse scattering extending along the c* direction perpendicular to the magnetic planes. This magnetic diffuse scattering, observed for the first time using the neutron Laue technique by VIVALDI, arises directly as a result of 2D short-range spin correlations.

Hexagonal convection patterns and their evolutionary scenarios in electroconvection induced by a strong unipolar injection

NASA Astrophysics Data System (ADS)

Luo, Kang; Wu, Jian; Yi, Hong-Liang; Liu, Lin-Hua; Tan, He-Ping

2018-05-01

A regular hexagonal pattern of three-dimensional electroconvective flow induced by unipolar injection in dielectric liquids is numerically observed by solving the fully coupled governing equations using the lattice Boltzmann method. A small-amplitude perturbation in the form of a spatially periodic pattern of hexagonal cells is introduced initially. The transient development of convective cells that undergo a sequence of transitions agrees with the idea of flow seeking an optimal scale. Stable hexagonal convective cells and their subcritical bifurcation together with a hysteresis loop are clearly observed. In addition, the stability of the hexagonal flow pattern is analyzed in a wide range of relevant parameters, including the electric Rayleigh number T , nondimensional mobility M , and wave number k . It is found that centrally downflowing hexagonal cells, which are characterized by the central region being empty of charge, are preferred in the system.

Communication: Disorder-suppressed vibrational relaxation in vapor-deposited high-density amorphous ice

NASA Astrophysics Data System (ADS)

Shalit, Andrey; Perakis, Fivos; Hamm, Peter

2014-04-01

We apply two-dimensional infrared spectroscopy to differentiate between the two polyamorphous forms of glassy water, low-density (LDA) and high-density (HDA) amorphous ices, that were obtained by slow vapor deposition at 80 and 11 K, respectively. Both the vibrational lifetime and the bandwidth of the 1-2 transition of the isolated OD stretch vibration of HDO in H2O exhibit characteristic differences when comparing hexagonal (Ih), LDA, and HDA ices, which we attribute to the different local structures - in particular the presence of interstitial waters in HDA ice - that cause different delocalization lengths of intermolecular phonon degrees of freedom. Moreover, temperature dependent measurements show that the vibrational lifetime closely follows the structural transition between HDA and LDA phases.

A new model for two-dimensional numerical simulation of pseudo-2D gas-solids fluidized beds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Tingwen; Zhang, Yongmin

2013-10-11

Pseudo-two dimensional (pseudo-2D) fluidized beds, for which the thickness of the system is much smaller than the other two dimensions, is widely used to perform fundamental studies on bubble behavior, solids mixing, or clustering phenomenon in different gas-solids fluidization systems. The abundant data from such experimental systems are very useful for numerical model development and validation. However, it has been reported that two-dimensional (2D) computational fluid dynamic (CFD) simulations of pseudo-2D gas-solids fluidized beds usually predict poor quantitative agreement with the experimental data, especially for the solids velocity field. In this paper, a new model is proposed to improve themore » 2D numerical simulations of pseudo-2D gas-solids fluidized beds by properly accounting for the frictional effect of the front and back walls. Two previously reported pseudo-2D experimental systems were simulated with this model. Compared to the traditional 2D simulations, significant improvements in the numerical predictions have been observed and the predicted results are in better agreement with the available experimental data.« less

Comparison of two- and three-dimensional Navier-Stokes solutions with NASA experimental data for CAST-10 airfoil

NASA Technical Reports Server (NTRS)

Swanson, R. Charles; Radespiel, Rolf; Mccormick, V. Edward

1989-01-01

The two-dimensional (2-D) and three-dimensional Navier-Stokes equations are solved for flow over a NAE CAST-10 airfoil model. Recently developed finite-volume codes that apply a multistage time stepping scheme in conjunction with steady state acceleration techniques are used to solve the equations. Two-dimensional results are shown for flow conditions uncorrected and corrected for wind tunnel wall interference effects. Predicted surface pressures from 3-D simulations are compared with those from 2-D calculations. The focus of the 3-D computations is the influence of the sidewall boundary layers. Topological features of the 3-D flow fields are indicated. Lift and drag results are compared with experimental measurements.

Renormalization of spin excitations in hexagonal HoMnO3 by magnon-phonon coupling

NASA Astrophysics Data System (ADS)

Kim, Taehun; Leiner, Jonathan C.; Park, Kisoo; Oh, Joosung; Sim, Hasung; Iida, Kazuki; Kamazawa, Kazuya; Park, Je-Geun

2018-05-01

Hexagonal HoMnO3, a two-dimensional Heisenberg antiferromagnet, has been studied via inelastic neutron scattering. A simple Heisenberg model with a single-ion anisotropy describes most features of the spin-wave dispersion curves. However, there is shown to be a renormalization of the magnon energies located at around 11 meV. Since both the magnon-magnon interaction and magnon-phonon coupling can affect the renormalization in a noncollinear magnet, we have accounted for both of these couplings by using a Heisenberg XXZ model with 1 /S expansions [1] and the Einstein site phonon model [13], respectively. This quantitative analysis leads to the conclusion that the renormalization effect primarily originates from the magnon-phonon coupling, while the spontaneous magnon decay due to the magnon-magnon interaction is suppressed by strong two-ion anisotropy.

2-dimensional implicit hydrodynamics on adaptive grids

NASA Astrophysics Data System (ADS)

Stökl, A.; Dorfi, E. A.

2007-12-01

We present a numerical scheme for two-dimensional hydrodynamics computations using a 2D adaptive grid together with an implicit discretization. The combination of these techniques has offered favorable numerical properties applicable to a variety of one-dimensional astrophysical problems which motivated us to generalize this approach for two-dimensional applications. Due to the different topological nature of 2D grids compared to 1D problems, grid adaptivity has to avoid severe grid distortions which necessitates additional smoothing parameters to be included into the formulation of a 2D adaptive grid. The concept of adaptivity is described in detail and several test computations demonstrate the effectivity of smoothing. The coupled solution of this grid equation together with the equations of hydrodynamics is illustrated by computation of a 2D shock tube problem.

2D-crystallization of Rhodococcus 20S proteasome at the liquid-liquid interface

NASA Astrophysics Data System (ADS)

Aoyama, Kazuhiro

1996-10-01

The 2D-crystallization method using the liquid-liquid interface between a aqueous phase (protein solution) and a thin organic liquid (dehydroabietylamine) layer has been applied to the Rhodococcus 20S proteasome. The 20S proteasome is known to be the core complex of the 26S proteasome, which is the central protease of the ubiquitin-dependent pathway. Two types of ordered arrays were obtained, both large enough for high resolution analysis by electron crystallography. The first one had a four-fold symmetry, whereas the second one was found out to be a hexagonally close-packed array. By image analysis based on a real space correlation averaging (CAV) technique, the close-packed array was found to be hexagonally packed, but the molecules had presumably rotational freedom. The four-fold array was found to be a true crystal with p4 symmetry. Lattice constants were a = b = 20.0 nm and α = 90°. The unit cell of this crystal contained two molecules. The diffraction pattern computed from the original picture showed spots up to (4, 5) that corresponds to 3.1 nm resolution. After applying an unbending procedure, the diffraction pattern showed spots extending to 1.8 nm resolution.

Optical spectroscopy of excited exciton states in MoS2 monolayers in van der Waals heterostructures

NASA Astrophysics Data System (ADS)

Robert, C.; Semina, M. A.; Cadiz, F.; Manca, M.; Courtade, E.; Taniguchi, T.; Watanabe, K.; Cai, H.; Tongay, S.; Lassagne, B.; Renucci, P.; Amand, T.; Marie, X.; Glazov, M. M.; Urbaszek, B.

2018-01-01

The optical properties of MoS2 monolayers are dominated by excitons, but for spectrally broad optical transitions in monolayers exfoliated directly onto SiO2 substrates detailed information on excited exciton states is inaccessible. Encapsulation in hexagonal boron nitride (hBN) allows approaching the homogenous exciton linewidth, but interferences in the van der Waals heterostructures make direct comparison between transitions in optical spectra with different oscillator strength more challenging. Here we reveal in reflectivity and in photoluminescence excitation spectroscopy the presence of excited states of the A exciton in MoS2 monolayers encapsulated in hBN layers of calibrated thickness, allowing us to extrapolate an exciton binding energy of ≈220 meV. We theoretically reproduce the energy separations and oscillator strengths measured in reflectivity by combining the exciton resonances calculated for a screened two-dimensional Coulomb potential with transfer matrix calculations of the reflectivity for the van der Waals structure. Our analysis shows a very different evolution of the exciton oscillator strength with principal quantum number for the screened Coulomb potential as compared to the ideal two-dimensional hydrogen model.

Uniform hexagonal graphene flakes and films grown on liquid copper surface.

PubMed

Geng, Dechao; Wu, Bin; Guo, Yunlong; Huang, Liping; Xue, Yunzhou; Chen, Jianyi; Yu, Gui; Jiang, Lang; Hu, Wenping; Liu, Yunqi

2012-05-22

Unresolved problems associated with the production of graphene materials include the need for greater control over layer number, crystallinity, size, edge structure and spatial orientation, and a better understanding of the underlying mechanisms. Here we report a chemical vapor deposition approach that allows the direct synthesis of uniform single-layered, large-size (up to 10,000 μm(2)), spatially self-aligned, and single-crystalline hexagonal graphene flakes (HGFs) and their continuous films on liquid Cu surfaces. Employing a liquid Cu surface completely eliminates the grain boundaries in solid polycrystalline Cu, resulting in a uniform nucleation distribution and low graphene nucleation density, but also enables self-assembly of HGFs into compact and ordered structures. These HGFs show an average two-dimensional resistivity of 609 ± 200 Ω and saturation current density of 0.96 ± 0.15 mA/μm, demonstrating their good conductivity and capability for carrying high current density.

Uniform hexagonal graphene flakes and films grown on liquid copper surface

PubMed Central

Geng, Dechao; Wu, Bin; Guo, Yunlong; Huang, Liping; Xue, Yunzhou; Chen, Jianyi; Yu, Gui; Jiang, Lang; Hu, Wenping; Liu, Yunqi

2012-01-01

Unresolved problems associated with the production of graphene materials include the need for greater control over layer number, crystallinity, size, edge structure and spatial orientation, and a better understanding of the underlying mechanisms. Here we report a chemical vapor deposition approach that allows the direct synthesis of uniform single-layered, large-size (up to 10,000 μm2), spatially self-aligned, and single-crystalline hexagonal graphene flakes (HGFs) and their continuous films on liquid Cu surfaces. Employing a liquid Cu surface completely eliminates the grain boundaries in solid polycrystalline Cu, resulting in a uniform nucleation distribution and low graphene nucleation density, but also enables self-assembly of HGFs into compact and ordered structures. These HGFs show an average two-dimensional resistivity of 609 ± 200 Ω and saturation current density of 0.96 ± 0.15 mA/μm, demonstrating their good conductivity and capability for carrying high current density. PMID:22509001

Observations of two-dimensional monolayer zinc oxide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sahoo, Trilochan, E-mail: trilochansahoo@gmail.com; Nayak, Sanjeev K.; Chelliah, Pandian

2016-03-15

Highlights: • Synthesis of planer ZnO nanostructure. • Observation of multilayered and monolayer ZnO. • DFT calculation of (10-10), (11-20) and (0 0 0 1) planes of ZnO. • Stability of non-polar (10-10) and (11-20) planes of ZnO. - Abstract: This letter reports the observations of planar two-dimensional ZnO synthesized using the hydrothermal growth technique. High-resolution transmission electron microscopy revealed the formation of a two-dimensional honeycomb lattice and aggregated structures of layered ZnO. The nonpolar (10-10) and (11-20) planes were present in the X-ray diffraction patterns, but the characteristic (0 0 0 1) peak of bulk ZnO was absent. Themore » study found that nonpolar freestanding ZnO structures composed of a single or few layers may be more stable and may have a higher probability of formation than their polar counterparts. The stability of the nonpolar two-dimensional hexagonal ZnO slabs is supported by density functional theory studies.« less

Engineering and Localization of Quantum Emitters in Large Hexagonal Boron Nitride Layers.

PubMed

Choi, Sumin; Tran, Toan Trong; Elbadawi, Christopher; Lobo, Charlene; Wang, Xuewen; Juodkazis, Saulius; Seniutinas, Gediminas; Toth, Milos; Aharonovich, Igor

2016-11-02

Hexagonal boron nitride is a wide-band-gap van der Waals material that has recently emerged as a promising platform for quantum photonics experiments. In this work, we study the formation and localization of narrowband quantum emitters in large flakes (up to tens of micrometers wide) of hexagonal boron nitride. The emitters can be activated in as-grown hexagonal boron nitride by electron irradiation or high-temperature annealing, and the emitter formation probability can be increased by ion implantation or focused laser irradiation of the as-grown material. Interestingly, we show that the emitters are always localized at the edges of the flakes, unlike most luminescent point defects in three-dimensional materials. Our results constitute an important step on the roadmap of deploying hexagonal boron nitride in nanophotonics applications.

Direct numerical simulation of turbulence and heat transfer in a hexagonal shaped duct

NASA Astrophysics Data System (ADS)

Marin, Oana; Obabko, Aleks; Schlatter, Philipp

2014-11-01

Flows in hexagonal shapes frequently occur in nuclear reactor applications, and are also present in honeycomb-shaped settling chambers for e.g. wind tunnels. Whereas wall-bounded turbulence has been studied comprehensively in two-dimensional channels, and to a lesser degree also in square and rectangular ducts and triangles, only very limited data for hexagonal ducts is available, including resistance correlations and mean profiles. Here, we use resolved spectral-element simulations to compute velocity and temperature in fully-developed (periodic) hexagonal duct flow. The Reynolds number, based on the fixed flow rate and the hydraulic diameter, ranges between 2000 and 20000. The temperature assumes constant wall flux or constant wall temperature. First DNS results are focused on the mean characteristics such a head loss, Nusselt number, and critical Reynolds number for sustained turbulence. Profiles, both for mean and fluctuating quantities, are extracted and discussed in the context of square ducts and pipes. Comparisons to existing experiments, RANS and empirical correlations are supplied as well. The results show a complicated and fine-scale pattern of the in-plane secondary flow, which clearly affects the momentum and temperature distribution throughout the cross section.

Arrays of quasi-hexagonally ordered silica nanopillars with independently controlled areal density, diameter and height gradients

NASA Astrophysics Data System (ADS)

Özdemir, Burcin; Huang, Wenting; Plettl, Alfred; Ziemann, Paul

2015-03-01

A consecutive fabrication approach of independently tailored gradients of the topographical parameters distance, diameter and height in arrays of well-ordered nanopillars on smooth SiO2-Si-wafers is presented. For this purpose, previously reported preparation techniques are further developed and combined. First, self-assembly of Au-salt loaded micelles by dip-coating with computer-controlled pulling-out velocities and subsequent hydrogen plasma treatment produce quasi-hexagonally ordered, 2-dimensional arrays of Au nanoparticles (NPs) with unidirectional variations of the interparticle distances along the pulling direction between 50-120 nm. Second, the distance (or areal density) gradient profile received in this way is superimposed with a diameter-controlled gradient profile of the NPs applying a selective photochemical growth technique. For demonstration, a 1D shutter is used for locally defined UV exposure times to prepare Au NP size gradients varying between 12 and 30 nm. Third, these double-gradient NP arrangements serve as etching masks in a following reactive ion etching step delivering arrays of nanopillars. For height gradient generation, the etching time is locally controlled by applying a shutter made from Si wafer piece. Due to the high flexibility of the etching process, the preparation route works on various materials such as cover slips, silicon, silicon oxide, silicon nitride and silicon carbide.

Synthesis and characterization of 2D graphene sheets from graphite powder

NASA Astrophysics Data System (ADS)

Patel, Rakesh V.; Patel, R. H.; Chaki, S. H.

2018-05-01

Graphene is 2D material composed of one atom thick hexagonal layer. This material has attracted great attention among scientific community because of its high surface area, excellent mechanical properties and conductivity due to free electrons in the 2D lattice. There are various approaches to prepare graphene nanosheets such as top-down approach where graphite exfoliation and nanotube unwrapping can be done. The bottom up approach involves deposition of hydrocarbon through CVD, epitaxial method and organo-synthesis etc.. In present studies top down approach method was used to prepare graphene. The graphite powder with around 20 µm to 150µm particle size was subjected to concentrated strong acid in presence of strong oxidizing agent in order to increase the d-spacing between layers which leads to the disruption of crystal lattice as confirmed by XRD (X'pert Philips). FT Raman spectra taken via (Renishaw InVia microscope) of pristine powder and Graphene oxide revealed the increase in D-band and reduction in G-Band. These exfoliated sheets have oxygen rich complexes at the surface of the layers as characterised by FTIR technique. The GO powder was ultrasonicated to prepare the stable suspension of Graphene. The graphene layers were observed under TEM (Philips Tecnai 20) as 2dimensional sheets with around 1µm sizes.

Burning invariant manifolds for reaction fronts in three-dimensional fluid flows

NASA Astrophysics Data System (ADS)

Mitchell, Kevin; Solomon, Tom

2017-11-01

The geometry of reaction fronts that propagate in fully three-dimensional (3D) fluid flows is studied using the tools of dynamical systems theory. The evolution of an infinitesimal front element is modeled as a six-dimensional ODE-three dimensions for the position of the front element and three for the orientation of its unit normal. This generalizes an earlier approach to understanding front propagation in two-dimensional (2D) fluid flows. As in 2D, the 3D system exhibits prominent burning invariant manifolds (BIMs). In 3D, BIMs are two-dimensional dynamically defined surfaces that form one-way barriers to the propagation of reaction fronts within the fluid. Due to the third dimension, BIMs in 3D exhibit a richer topology than their cousins in 2D. In particular, whereas BIMs in both 2D and 3D can originate from fixed points of the dynamics, BIMs in 3D can also originate from limit cycles. Such BIMs form robust tube-like channels that guide and constrain the evolution of the front within the bulk of the fluid. Supported by NSF Grant CMMI-1201236.

A template-free solvent-mediated synthesis of high surface area boron nitride nanosheets for aerobic oxidative desulfurization

DOE PAGES

Wu, Peiwen; Zhu, Wenshuai; Chao, Yanhong; ...

2015-10-16

Hexagonal boron nitride nanosheets (h-BNNs) with rather high specific surface area (SSA) are important two-dimensional layer-structured materials. Here in this study, a solvent-mediated synthesis of h-BNNs revealed a template-free lattice plane control strategy that induced high SSA nanoporous structured h-BNNs with outstanding aerobic oxidative desulfurization performance.

On the current drive capability of low dimensional semiconductors: 1D versus 2D

DOE PAGES

Zhu, Y.; Appenzeller, J.

2015-10-29

Low-dimensional electronic systems are at the heart of many scaling approaches currently pursuit for electronic applications. Here, we present a comparative study between an array of one-dimensional (1D) channels and its two-dimensional (2D) counterpart in terms of current drive capability. Lastly, our findings from analytical expressions derived in this article reveal that under certain conditions an array of 1D channels can outperform a 2D field-effect transistor because of the added degree of freedom to adjust the threshold voltage in an array of 1D devices.

Three-dimensional finite amplitude electroconvection in dielectric liquids

NASA Astrophysics Data System (ADS)

Luo, Kang; Wu, Jian; Yi, Hong-Liang; Tan, He-Ping

2018-02-01

Charge injection induced electroconvection in a dielectric liquid lying between two parallel plates is numerically simulated in three dimensions (3D) using a unified lattice Boltzmann method (LBM). Cellular flow patterns and their subcritical bifurcation phenomena of 3D electroconvection are numerically investigated for the first time. A unit conversion is also derived to connect the LBM system to the real physical system. The 3D LBM codes are validated by three carefully chosen cases and all results are found to be highly consistent with the analytical solutions or other numerical studies. For strong injection, the steady state roll, polygon, and square flow patterns are observed under different initial disturbances. Numerical results show that the hexagonal cell with the central region being empty of charge and centrally downward flow is preferred in symmetric systems under random initial disturbance. For weak injection, the numerical results show that the flow directly passes from the motionless state to turbulence once the system loses its linear stability. In addition, the numerically predicted linear and finite amplitude stability criteria of different flow patterns are discussed.

Fabrication of non-hexagonal close packed colloidal array on a substrate by transfer

NASA Astrophysics Data System (ADS)

Banik, Meneka; Mukherjee, Rabibrata

Self-organized colloidal arrays find application in fabrication of solar cells with advanced light management strategies. We report a simple spincoating based approach for fabricating two dimensional colloidal crystals with hexagonal and non-hexagonal close packed assembly on flat and nanopatterned substrates. The non-HCP arrays were fabricated by spin coating the particles onto soft lithographically fabricated substrates. The substrate patterns impose directionality to the particles by confining them within the grooves. We have developed a technique by which the HCP and non-HCP arrays can be transferred to any surface. For this purpose the colloidal arrays were fabricated on a UV degradable PMMA layer, resulting in transfer of the particles on UV exposure. This allows the colloidal structures to be transported across substrates irrespective of their surface energy, wettability or morphology. Since the particles are transferred without exposing it to any kind of chemical or thermal environment, it can be utilized for placing particles on top of thin film solar cells for improving their absorption efficiency.

Synthesis of bilayer MoS2 and corresponding field effect characteristics

NASA Astrophysics Data System (ADS)

Fang, Mingxu; Feng, Yulin; Wang, Fang; Yang, Zhengchun; Zhang, Kailiang

2017-06-01

Two-dimensional transition-metal dichalcogenides such as MoS2 are promising materials for next-generation nano-electronic devices. The physical properties of MoS2 are determined by layer number according to the variation of band-gap. Here, we synthesize large-size bilayer-MoS2 with triangle and hexagonal nanosheets in one step by chemical vapor deposition, Monolayer and bilayer-MoS2 back-gate field effect transistors are also fabricated and the performance including mobility and on/off ratios are compared. The bilayer-MoS2 back-gate field effect transistor shows superior performance with field effect mobility of ∼21.27cm2V-1s-1, and Ion/Ioff ratio of ∼3.9×107.

Structure of collagen-glycosaminoglycan matrix and the influence to its integrity and stability.

PubMed

Bi, Yuying; Patra, Prabir; Faezipour, Miad

2014-01-01

Glycosaminoglycan (GAG) is a chain-like disaccharide that is linked to polypeptide core to connect two collagen fibrils/fibers and provide the intermolecular force in Collagen-GAG matrix (C-G matrix). Thus, the distribution of GAG in C-G matrix contributes to the integrity and mechanical properties of the matrix and related tissue. This paper analyzes the transverse isotropic distribution of GAG in C-G matrix. The angle of GAGs related to collagen fibrils is used as parameters to qualify the GAGs isotropic characteristic in both 3D and 2D rendering. Statistical results included that over one third of GAGs were perpendicular directed to collagen fibril with symmetrical distribution for both 3D matrix and 2D plane cross through collagen fibrils. The three factors tested in this paper: collagen radius, collagen distribution, and GAGs density, were not statistically significant for the strength of Collagen-GAG matrix in 3D rendering. However in 2D rendering, a significant factor found was the radius of collagen in matrix for the GAGs directed to orthogonal plane of Collagen-GAG matrix. Between two cross-section selected from Collagen-GAG matrix model, the plane cross through collagen fibrils was symmetrically distributed but the total percentage of perpendicular directed GAG was deducted by decreasing collagen radius. There were some symmetry features of GAGs angle distribution in selected 2D plane that passed through space between collagen fibrils, but most models showed multiple peaks in GAGs angle distribution. With less GAGs directed to perpendicular of collagen fibril, strength in collagen cross-section weakened. Collagen distribution was also a factor that influences GAGs angle distribution in 2D rendering. True hexagonal collagen packaging is reported in this paper to have less strength at collagen cross-section compared to quasi-hexagonal collagen arrangement. In this work focus is on GAGs matrix within the collagen and its relevance to anisotropy.

Nanowire Optoelectronics

NASA Astrophysics Data System (ADS)

Wang, Zhihuan; Nabet, Bahram

2015-12-01

Semiconductor nanowires have been used in a variety of passive and active optoelectronic devices including waveguides, photodetectors, solar cells, light-emitting diodes (LEDs), lasers, sensors, and optical antennas. We review the optical properties of these nanowires in terms of absorption, guiding, and radiation of light, which may be termed light management. Analysis of the interaction of light with long cylindrical/hexagonal structures with subwavelength diameters identifies radial resonant modes, such as Leaky Mode Resonances, or Whispering Gallery modes. The two-dimensional treatment should incorporate axial variations in "volumetric modes,"which have so far been presented in terms of Fabry-Perot (FP), and helical resonance modes. We report on finite-difference timedomain (FDTD) simulations with the aim of identifying the dependence of these modes on geometry (length, width), tapering, shape (cylindrical, hexagonal), core-shell versus core-only, and dielectric cores with semiconductor shells. This demonstrates how nanowires (NWs) form excellent optical cavities without the need for top and bottommirrors. However, optically equivalent structures such as hexagonal and cylindrical wires can have very different optoelectronic properties meaning that light management alone does not sufficiently describe the observed enhancement in upward (absorption) and downward transitions (emission) of light inNWs; rather, the electronic transition rates should be considered. We discuss this "rate management" scheme showing its strong dimensional dependence, making a case for photonic integrated circuits (PICs) that can take advantage of the confluence of the desirable optical and electronic properties of these nanostructures.

Macroscopic and tunable nanoparticle superlattices

DOE PAGES

Zhang, Honghu; Wang, Wenjie; Mallapragada, Surya; ...

2016-10-24

In this paper, we describe a robust method to assemble nanoparticles into highly ordered superlattices by inducing aqueous phase separation of neutral capping polymers. Here we demonstrate the approach with thiolated polyethylene-glycol-functionalized gold nanoparticles (PEG-AuNPs) in the presence of salts (for example, K 2CO 3) in solutions that spontaneously migrate to the liquid–vapor interface to form a Gibbs monolayer. We show that by increasing salt concentration, PEG-AuNP monolayers transform from two-dimensional (2D) gas-like to liquid-like phase and eventually, beyond a threshold concentration, to a highly ordered hexagonal structure, as characterized by surface sensitive synchrotron X-ray reflectivity and grazing incidence X-raymore » diffraction. Furthermore, the method allows control of the inplane packing in the crystalline phase by varying the K 2CO 3 and PEG-AuNPs concentrations and the length of PEG. Using polymer-brush theory, we argue that the assembly and crystallization is driven by the need to reduce surface tension between PEG and the salt solution. Our approach of taking advantage of the phase separation of PEG in salt solutions is general (i.e., can be used with any nanoparticles) leads to high-quality macroscopic and tunable crystals. In conclusion, we discuss how the method can also be applied to the design of orderly 3D structures.« less

Differentiation of benign from malignant solid breast masses: comparison of two-dimensional and three-dimensional shear-wave elastography.

PubMed

Lee, Su Hyun; Chang, Jung Min; Kim, Won Hwa; Bae, Min Sun; Cho, Nariya; Yi, Ann; Koo, Hye Ryoung; Kim, Seung Ja; Kim, Jin You; Moon, Woo Kyung

2013-04-01

To prospectively compare the diagnostic performances of two-dimensional (2D) and three-dimensional (3D) shear-wave elastography (SWE) for differentiating benign from malignant breast masses. B-mode ultrasound and SWE were performed for 134 consecutive women with 144 breast masses before biopsy. Quantitative elasticity values (maximum and mean elasticity in the stiffest portion of mass, Emax and Emean; lesion-to-fat elasticity ratio, Erat) were measured with both 2D and 3D SWE. The area under the receiver operating characteristic curve (AUC), sensitivity and specificity of B-mode, 2D, 3D SWE and combined data of B-mode and SWE were compared. Sixty-seven of the 144 breast masses (47 %) were malignant. Overall, higher elasticity values of 3D SWE than 2D SWE were noted for both benign and malignant masses. The AUC for 2D and 3D SWE were not significantly different: Emean, 0.938 vs 0.928; Emax, 0.939 vs 0.930; Erat, 0.907 vs 0.871. Either 2D or 3D SWE significantly improved the specificity of B-mode ultrasound from 29.9 % (23 of 77) up to 71.4 % (55 of 77) and 63.6 % (49 of 77) without a significant change in sensitivity. Two-dimensional and 3D SWE performed equally in distinguishing benign from malignant masses and both techniques improved the specificity of B-mode ultrasound.

Three-dimensional macro-structures of two-dimensional nanomaterials.

PubMed

Shehzad, Khurram; Xu, Yang; Gao, Chao; Duan, Xiangfeng

2016-10-21

If two-dimensional (2D) nanomaterials are ever to be utilized as components of practical, macroscopic devices on a large scale, there is a complementary need to controllably assemble these 2D building blocks into more sophisticated and hierarchical three-dimensional (3D) architectures. Such a capability is key to design and build complex, functional devices with tailored properties. This review provides a comprehensive overview of the various experimental strategies currently used to fabricate the 3D macro-structures of 2D nanomaterials. Additionally, various approaches for the decoration of the 3D macro-structures with organic molecules, polymers, and inorganic materials are reviewed. Finally, we discuss the applications of 3D macro-structures, especially in the areas of energy, environment, sensing, and electronics, and describe the existing challenges and the outlook for this fast emerging field.

Universal Fermi Gases in Mixed Dimensions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nishida, Yusuke; Tan, Shina

2008-10-24

We investigate a two-species Fermi gas in which one species is confined in a two-dimensional plane (2D) or one-dimensional line (1D) while the other is free in the three-dimensional space (3D). We discuss the realization of such a system with the interspecies interaction tuned to resonance. When the mass ratio is in the range 0.0351

Topology for Dominance for Network of Multi-Agent System

NASA Astrophysics Data System (ADS)

Szeto, K. Y.

2007-05-01

The resource allocation problem in evolving two-dimensional point patterns is investigated for the existence of good strategies for the construction of initial configuration that leads to fast dominance of the pattern by one single species, which can be interpreted as market dominance by a company in the context of multi-agent systems in econophysics. For hexagonal lattice, certain special topological arrangements of the resource in two-dimensions, such as rings, lines and clusters have higher probability of dominance, compared to random pattern. For more complex networks, a systematic way to search for a stable and dominant strategy of resource allocation in the changing environment is found by means of genetic algorithm. Five typical features can be summarized by means of the distribution function for the local neighborhood of friends and enemies as well as the local clustering coefficients: (1) The winner has more triangles than the loser has. (2) The winner likes to form clusters as the winner tends to connect with other winner rather than with losers; while the loser tends to connect with winners rather than losers. (3) The distribution function of friends as well as enemies for the winner is broader than the corresponding distribution function for the loser. (4) The connectivity at which the peak of the distribution of friends for the winner occurs is larger than that of the loser; while the peak values for friends for winners is lower. (5) The connectivity at which the peak of the distribution of enemies for the winner occurs is smaller than that of the loser; while the peak values for enemies for winners is lower. These five features appear to be general, at least in the context of two-dimensional hexagonal lattices of various sizes, hierarchical lattice, Voronoi diagrams, as well as high-dimensional random networks. These general local topological properties of networks are relevant to strategists aiming at dominance in evolving patterns when the interaction between the agents is local.

A 2.5D Computational Method to Simulate Cylindrical Fluidized Beds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Tingwen; Benyahia, Sofiane; Dietiker, Jeff

2015-02-17

In this paper, the limitations of axisymmetric and Cartesian two-dimensional (2D) simulations of cylindrical gas-solid fluidized beds are discussed. A new method has been proposed to carry out pseudo-two-dimensional (2.5D) simulations of a cylindrical fluidized bed by appropriately combining computational domains of Cartesian 2D and axisymmetric simulations. The proposed method was implemented in the open-source code MFIX and applied to the simulation of a lab-scale bubbling fluidized bed with necessary sensitivity study. After a careful grid study to ensure the numerical results are grid independent, detailed comparisons of the flow hydrodynamics were presented against axisymmetric and Cartesian 2D simulations. Furthermore,more » the 2.5D simulation results have been compared to the three-dimensional (3D) simulation for evaluation. This new approach yields better agreement with the 3D simulation results than with axisymmetric and Cartesian 2D simulations.« less

Stability, elastic and electronic properties of a novel BN2 sheet with extended hexagons with N-N bonds

NASA Astrophysics Data System (ADS)

Waters, Kevin; Pandey, Ravindra

2018-04-01

A new B-N monolayer material (BN2) consisting of a network of extended hexagons is predicted using density functional theory. The distinguishable nature of this 2D material is found to be the presence of the bonded N atoms (N-N) in the lattice. Analysis of the phonon dispersion curves show this phase of BN2 to be stable. The calculated elastic properties exhibit anisotropic mechanical properties that surpass graphene in the armchair direction. The BN2 monolayer is metallic with in-plane p states dominating the Fermi level. Novel applications resulting from a strong anisotropic mechanical strength together with the metallic properties of the BN2 sheet with the extended hexagons with N-N bonds may enable future innovation at the nanoscale.

Divergence of the long-wavelength collective diffusion coefficient in quasi-one- and quasi-two-dimensional colloidal suspensions.

PubMed

Lin, Binhua; Cui, Bianxiao; Xu, Xinliang; Zangi, Ronen; Diamant, Haim; Rice, Stuart A

2014-02-01

We report the results of experimental studies of the short-time-long-wavelength behavior of collective particle displacements in quasi-one-dimensional (q1D) and quasi-two-dimensional (q2D) colloid suspensions. Our results are reported via the q → 0 behavior of the hydrodynamic function H(q) that relates the effective collective diffusion coefficient D(e)(q), with the static structure factor S(q) and the self-diffusion coefficient of isolated particles D(0): H(q) ≡ D(e)(q)S(q)/D(0). We find an apparent divergence of H(q) as q → 0 with the form H(q) ∝ q(-γ) (1.7 < γ < 1.9) for both q1D and q2D colloid suspensions. Given that S(q) does not diverge as q → 0 we infer that D(e)(q) does. This behavior is qualitatively different from that of the three-dimensional H(q) and D(e)(q) as q → 0, and the divergence is of a different functional form from that predicted for the diffusion coefficient in one-component one-dimensional and two-dimensional fluids not subject to boundary conditions that define the dimensionality of the system. We provide support for the contention that the boundary conditions that define a confined system play a very important role in determining the long-wavelength behavior of the collective diffusion coefficient from two sources: (i) the results of simulations of H(q) and D(e)(q) in quasi-1D and quasi-2D systems and (ii) verification, using data from the work of Lin, Rice and Weitz [Phys. Rev. E 51, 423 (1995)], of the prediction by Bleibel et al., arXiv:1305.3715, that D(e)(q) for a monolayer of colloid particles constrained to lie in the interface between two fluids diverges as q(-1) as q → 0.

Columnar to Nematic Mesophase Transition: Binary Mixtures of Unlike Copper Soaps

NASA Astrophysics Data System (ADS)

Seghrouchni, R.; Skoulios, A.

1995-10-01

Copper (II) soaps are known to produce columnar mesophases at high temperature. The polar groups of the soap molecules are stacked over one another within columns surrounded by the alkyl chains in a disordered conformation and laterally arranged according to a two-dimensional hexagonal lattice. The present work studies the mesomorphic behaviour of binary mixtures of copper soaps using differential scanning calorimetry, polarizing microscopy, and X-ray diffraction. When the soaps are of comparable molecular sizes the mixtures are homogeneous and columnar at all compositions. The columns of the two soaps, remaining intact in the mixture, are distributed randomly on the nodes of a hexagonal Bravais lattice. Crystallographic homogeneity is obtained by transfer of methylene groups from cell to cell. When, on the other hand, the soaps are different enough in molecular sizes, the columnar structure of the mixtures is interrupted in the middle range of compositions for the benefit of a nematic one. The transfer of methylene groups gets indeed harder to achieve and the distortion of the hexagonal units cells becomes important. The columnar to nematic phase transition is discussed on a molecular and a topological level.

Effects of dimensionality and laser polarization on kinetic simulations of laser-ion acceleration in the transparency regime

NASA Astrophysics Data System (ADS)

Stark, David; Yin, Lin; Albright, Brian; Guo, Fan

2017-10-01

The often cost-prohibitive nature of three-dimensional (3D) kinetic simulations of laser-plasma interactions has resulted in heavy use of two-dimensional (2D) simulations to extract physics. However, depending on whether the polarization is modeled as 2D-S or 2D-P (laser polarization in and out of the simulation plane, respectively), different results arise. In laser-ion acceleration in the transparency regime, VPIC particle-in-cell simulations show that 2D-S and 2D-P capture different physics that appears in 3D simulations. The electron momentum distribution is virtually two-dimensional in 2D-P, unlike the more isotropic distributions in 2D-S and 3D, leading to greater heating in the simulation plane. As a result, target expansion time scales and density thresholds for the onset of relativistic transparency differ dramatically between 2D-S and 2D-P. The artificial electron heating in 2D-P exaggerates the effectiveness of target-normal sheath acceleration (TNSA) into its dominant acceleration mechanism, whereas 2D-S and 3D both have populations accelerated preferentially during transparency to higher energies than those of TNSA. Funded by the LANL Directed Research and Development Program.

Assessment of Myocardial Infarct Size by Three-Dimensional and Two-Dimensional Speckle Tracking Echocardiography: A Comparative Study to Single Photon Emission Computed Tomography.

PubMed

Wang, Qiushuang; Huang, Dangsheng; Zhang, Liwei; Shen, Dong; Ouyang, Qiaohong; Duan, Zhongxiang; An, Xiuzhi; Zhang, Meiqing; Zhang, Chunhong; Yang, Feifei; Zhi, Guang

2015-10-01

To compare three-dimensional (3D) and two-dimensional (2D) speckle tracking echocardiography (STE) techniques in the assessment of left ventricular function and myocardial infarct size (MIS). Thirty-two patients diagnosed with ST elevation myocardial infarction and 18 healthy control patients underwent 2D echocardiography, 3D echocardiography, and single photon emission computed tomography (SPECT). 3D left ventricular global area strain (GAS), 2D and 3D global longitudinal strain (GLS), global radial strain (GRS) as well as global circumferential strain (GCS) were analyzed to correlate with myocardial infarct size detected by SPECT. 2D and 3D left ventricular ejection fraction (LVEF) as well as 2D and 3D wall motion score index (WMSI) also were measured using conventional echocardiography. The 2D-GLS values were significantly higher than that of 3D-GLS, while 2D-GCS and GRS were significantly lower than 3D-GCS and GRS, respectively. However, no significant differences in LVEF and WMSI could be observed between 2D and 3D echocardiography. Myocardial strain indices, LVEF, and WMSI using 2D and 3D echocardiography also had good correlations with MIS as measured by SPECT. ROC curve analysis showed that the 3D and 2D myocardial indices, LVEF, and WMSI could distinguish between small and large MIS, while 2D-GLS had the highest AUC. The 2D and 3D myocardial strain indices correlated well with MIS by SPECT. Among them, the 2D-GLS showed the highest diagnostic value, while 3D-GRS and GCS had better diagnostic value than 2D-GRS and GCS. © 2015, Wiley Periodicals, Inc.

Graphene ground states

NASA Astrophysics Data System (ADS)

Friedrich, Manuel; Stefanelli, Ulisse

2018-06-01

Graphene is locally two-dimensional but not flat. Nanoscale ripples appear in suspended samples and rolling up often occurs when boundaries are not fixed. We address this variety of graphene geometries by classifying all ground-state deformations of the hexagonal lattice with respect to configurational energies including two- and three-body terms. As a consequence, we prove that all ground-state deformations are either periodic in one direction, as in the case of ripples, or rolled up, as in the case of nanotubes.

Functionalized hexagonal boron nitride nano-coatings for protection of transparent plastics

NASA Astrophysics Data System (ADS)

Van Tran, Thu; Usta, Aybala; Asmatulu, Ramazan

2016-04-01

Nanocoating is the result of a coating application of nanomaterials to build a consistent network of molecules in a paint to protect the surfaces of various materials and devices. Hexagonal Boron Nitride (h-BN) is in two dimensional form with excellent thermal, mechanical and chemical properties. These BN nanocoatings are also a thermally insulating material for heat management. After adding functionalized h-BNs into paints or other coatings, they will absorb the harmful UV part of sunlight and prevent coating against the environmental degradations. The impacts of the environmental factors on the coatings can be substantially eliminated. In the present study, h-BNs were modified with [2-(2-Aminoethylamino) propyl] trimethoxysilane and uniformly dispersed into the polyurethane coatings with different amounts, such as 0.1, 0.2, 0.4, and 0.8wt% to increase hardness and water resistance, and decrease the UV degradation level of coatings and transparent plastics. The prepared samples were characterized by using Fourier Transform Infrared Spectroscopy (FTIR), UV-Vis Spectroscopy, Scanning Electron Microscope (SEM), Water Contact Angle, and Differential Scanning Calorimeter (DSC). The test results showed that the nanocoatings with functionalized h-BN provided excellent physical and chemical behaviors against the UV and other physical degradations on the substrates.

Order parameters from image analysis: a honeycomb example

NASA Astrophysics Data System (ADS)

Kaatz, Forrest H.; Bultheel, Adhemar; Egami, Takeshi

2008-11-01

Honeybee combs have aroused interest in the ability of honeybees to form regular hexagonal geometric constructs since ancient times. Here we use a real space technique based on the pair distribution function (PDF) and radial distribution function (RDF), and a reciprocal space method utilizing the Debye-Waller Factor (DWF) to quantify the order for a range of honeycombs made by Apis mellifera ligustica. The PDFs and RDFs are fit with a series of Gaussian curves. We characterize the order in the honeycomb using a real space order parameter, OP 3 , to describe the order in the combs and a two-dimensional Fourier transform from which a Debye-Waller order parameter, u, is derived. Both OP 3 and u take values from [0, 1] where the value one represents perfect order. The analyzed combs have values of OP 3 from 0.33 to 0.60 and values of u from 0.59 to 0.69. RDF fits of honeycomb histograms show that naturally made comb can be crystalline in a 2D ordered structural sense, yet is more ‘liquid-like’ than cells made on ‘foundation’ wax. We show that with the assistance of man-made foundation wax, honeybees can manufacture highly ordered arrays of hexagonal cells. This is the first description of honeycomb utilizing the Debye-Waller Factor, and provides a complete analysis of the order in comb from a real-space order parameter and a reciprocal space order parameter. It is noted that the techniques used are general in nature and could be applied to any digital photograph of an ordered array.

Are Young Children's Drawings Canonically Biased?

ERIC Educational Resources Information Center

Picard, Delphine; Durand, Karine

2005-01-01

In a between-subjects design, 4-to 6-year-olds were asked to draw from three-dimensional (3D) models, two-and-a-half-dimensional (212D) models with or without depth cues, or two-dimensional (2D) models of a familiar object (a saucepan) in noncanonical orientations (handle at the back or at the front). Results showed that canonical errors were…

Ullmann-like reactions for the synthesis of complex two-dimensional materials

NASA Astrophysics Data System (ADS)

Quardokus, Rebecca C.; Tewary, V. K.; DelRio, Frank W.

2016-11-01

Engineering two-dimensional materials through surface-confined synthetic techniques is a promising avenue for designing new materials with tailored properties. Developing and understanding reaction mechanisms for surface-confined synthesis of two-dimensional materials requires atomic-level characterization and chemical analysis. Beggan et al (2015 Nanotechnology 26 365602) used scanning tunneling microscopy and x-ray photoelectron spectroscopy to elucidate the formation mechanism of surface-confined Ullmann-like coupling of thiophene substituted porphyrins on Ag(111). Upon surface deposition, bromine is dissociated and the porphyrins couple with surface adatoms to create linear strands and hexagonally packed molecules. Annealing the sample results in covalently-bonded networks of thienylporphyrin derivatives. A deeper understanding of surface-confined Ullmann-like coupling has the potential to lead to precision-engineered nano-structures through synthetic techniques. Contribution of the National Institute of Standards and Technology, not subject to copyright in the United States of America.

Order-disorder transition in a two-dimensional boron-carbon-nitride alloy

NASA Astrophysics Data System (ADS)

Lu, Jiong; Zhang, Kai; Feng Liu, Xin; Zhang, Han; Chien Sum, Tze; Castro Neto, Antonio H.; Loh, Kian Ping

2013-10-01

Two-dimensional boron-carbon-nitride materials exhibit a spectrum of electronic properties ranging from insulating to semimetallic, depending on their composition and geometry. Detailed experimental insights into the phase separation and ordering in such alloy are currently lacking. Here we report the mixing and demixing of boron-nitrogen and carbon phases on ruthenium (0001) and found that energetics for such processes are modified by the metal substrate. The brick-and-mortar patchwork observed of stoichiometrically percolated hexagonal boron-carbon-nitride domains surrounded by a network of segregated graphene nanoribbons can be described within the Blume-Emery-Griffiths model applied to a honeycomb lattice. The isostructural boron nitride and graphene assumes remarkable fluidity and can be exchanged entirely into one another by a catalytically assistant substitution. Visualizing the dynamics of phase separation at the atomic level provides the premise for enabling structural control in a two-dimensional network for broad nanotechnology applications.

Echocardiography Comparison Between Two and Three Dimensional Echocardiograms

NASA Technical Reports Server (NTRS)

2003-01-01

Echocardiography uses sound waves to image the heart and other organs. Developing a compact version of the latest technology improved the ease of monitoring crew member health, a critical task during long space flights. NASA researchers plan to adapt the three-dimensional (3-D) echocardiogram for space flight. The two-dimensional (2-D) echocardiogram utilized in orbit on the International Space Station (ISS) was effective, but difficult to use with precision. A heart image from a 2-D echocardiogram (left) is of a better quality than that from a 3-D device (right), but the 3-D imaging procedure is more user-friendly.

Two-dimensional vibrational spectroscopy of the amide I band of crystalline acetanilide: Fermi resonance, conformational substates, or vibrational self-trapping?

NASA Astrophysics Data System (ADS)

Edler, J.; Hamm, P.

2003-08-01

Two-dimensional infrared (2D-IR) spectroscopy is applied to investigate acetanilide, a molecular crystal consisting of quasi-one-dimensional hydrogen bonded peptide units. The amide-I band exhibits a double peak structure, which has been attributed to different mechanisms including vibrational self-trapping, a Fermi resonance, or the existence of two conformational substates. The 2D-IR spectrum of crystalline acetanilide is compared with that of two different molecular systems: (i) benzoylchloride, which exhibits a strong symmetric Fermi resonance and (ii) N-methylacetamide dissolved in methanol which occurs in two spectroscopically distinguishable conformations. Both 2D-IR spectra differ significantly from that of crystalline acetanilide, proving that these two alternative mechanisms cannot account for the anomalous spectroscopy of crystalline acetanilide. On the other hand, vibrational self-trapping of the amide-I band can naturally explain the 2D-IR response.

Current status of one- and two-dimensional numerical models: Successes and limitations

NASA Technical Reports Server (NTRS)

Schwartz, R. J.; Gray, J. L.; Lundstrom, M. S.

1985-01-01

The capabilities of one and two-dimensional numerical solar cell modeling programs (SCAP1D and SCAP2D) are described. The occasions when a two-dimensional model is required are discussed. The application of the models to design, analysis, and prediction are presented along with a discussion of problem areas for solar cell modeling.

Preparation and Characterization of C60/Graphene Hybrid Nanostructures.

PubMed

Chen, Chuanhui; Mills, Adam; Zheng, Husong; Li, Yanlong; Tao, Chenggang

2018-05-15

Physical thermal deposition in a high vacuum environment is a clean and controllable method for fabricating novel molecular nanostructures on graphene. We present methods for depositing and passively manipulating C60 molecules on rippled graphene that advance the pursuit of realizing applications involving 1D C60/graphene hybrid structures. The techniques applied in this exposition are geared towards high vacuum systems with preparation areas capable of supporting molecular deposition as well as thermal annealing of the samples. We focus on C60 deposition at low pressure using a homemade Knudsen cell connected to a scanning tunneling microscopy (STM) system. The number of molecules deposited is regulated by controlling the temperature of the Knudsen cell and the deposition time. One-dimensional (1D) C60 chain structures with widths of two to three molecules can be prepared via tuning of the experimental conditions. The surface mobility of the C60 molecules increases with annealing temperature allowing them to move within the periodic potential of the rippled graphene. Using this mechanism, it is possible to control the transition of 1D C60 chain structures to a hexagonal close packed quasi-1D stripe structure.

Performance analysis of three-dimensional-triple-level cell and two-dimensional-multi-level cell NAND flash hybrid solid-state drives

NASA Astrophysics Data System (ADS)

Sakaki, Yukiya; Yamada, Tomoaki; Matsui, Chihiro; Yamaga, Yusuke; Takeuchi, Ken

2018-04-01

In order to improve performance of solid-state drives (SSDs), hybrid SSDs have been proposed. Hybrid SSDs consist of more than two types of NAND flash memories or NAND flash memories and storage-class memories (SCMs). However, the cost of hybrid SSDs adopting SCMs is more expensive than that of NAND flash only SSDs because of the high bit cost of SCMs. This paper proposes unique hybrid SSDs with two-dimensional (2D) horizontal multi-level cell (MLC)/three-dimensional (3D) vertical triple-level cell (TLC) NAND flash memories to achieve higher cost-performance. The 2D-MLC/3D-TLC hybrid SSD achieves up to 31% higher performance than the conventional 2D-MLC/2D-TLC hybrid SSD. The factors of different performance between the proposed hybrid SSD and the conventional hybrid SSD are analyzed by changing its block size, read/write/erase latencies, and write unit of 3D-TLC NAND flash memory, by means of a transaction-level modeling simulator.

Transition to spatiotemporal chaos in a two-dimensional hydrodynamic system.

PubMed

Pirat, Christophe; Naso, Aurore; Meunier, Jean-Louis; Maïssa, Philippe; Mathis, Christian

2005-04-08

We study the transition to spatiotemporal chaos in a two-dimensional hydrodynamic experiment where liquid columns take place in the gravity induced instability of a liquid film. The film is formed below a plane grid which is used as a porous media and is continuously supplied with a controlled flow rate. This system can be either ordered (on a hexagonal structure) or disordered depending on the flow rate. We observe, for the first time in an initially structured state, a subcritical transition to spatiotemporal disorder which arises through spatiotemporal intermittency. Statistics of numbers, creations, and fusions of columns are investigated. We exhibit a critical behavior close to the directed percolation one.

Ab initio study of the structural, vibrational and thermal properties of Ge2Sb2Te5

NASA Astrophysics Data System (ADS)

Odhiambo, Henry; Othieno, Herick

2015-05-01

The structural, vibrational and thermal properties of hexagonal as well as cubic Ge2Sb2Te5 (GST) have been calculated from first principles. The relative stability of the possible stacking sequences of hexagonal GST has been confirmed to depend on the choice for the exchange-correlation (XC) energy functional. It is apparent that without the inclusion of the Te 4d orbitals in the valence states, the lattice parameters can be underestimated by as much as 3.9% compared to experiment and all-electron calculations. From phonon dispersion curves, it has been confirmed that the hexagonal phase is, indeed, stable whereas the cubic phase is metastable. In particular, calculations based on the quasi-harmonic approximation (QHA) reveal an extra heat capacity beyond the Dulong-Petit limit at high temperatures for both hexagonal and cubic GST. Moreover, cubic GST exhibits a residual entropy at 0 K, in agreement with experimental studies which attribute this phenomenon to substitutional disorder on the Sb/Ge/v sublattice.

Multiparticle collision simulations of two-dimensional one-component plasmas: Anomalous transport and dimensional crossovers

NASA Astrophysics Data System (ADS)

Di Cintio, Pierfrancesco; Livi, Roberto; Lepri, Stefano; Ciraolo, Guido

2017-04-01

By means of hybrid multiparticle collsion-particle-in-cell (MPC-PIC) simulations we study the dynamical scaling of energy and density correlations at equilibrium in moderately coupled two-dimensional (2D) and quasi-one-dimensional (1D) plasmas. We find that the predictions of nonlinear fluctuating hydrodynamics for the structure factors of density and energy fluctuations in 1D systems with three global conservation laws hold true also for 2D systems that are more extended along one of the two spatial dimensions. Moreover, from the analysis of the equilibrium energy correlators and density structure factors of both 1D and 2D neutral plasmas, we find that neglecting the contribution of the fluctuations of the vanishing self-consistent electrostatic fields overestimates the interval of frequencies over which the anomalous transport is observed. Such violations of the expected scaling in the currents correlation are found in different regimes, hindering the observation of the asymptotic scaling predicted by the theory.

A metal-organic framework based on nanosized hexagonal channels as fluorescent indicator for detection of nitroaromatic explosives

NASA Astrophysics Data System (ADS)

Hu, Xiao-Li; Wang, Xin-Long; Su, Zhong-Min

2018-02-01

A novel Zn-MOF (metal organic framework) [Zn3(NTB)2(DMA)2]·12DMA (NTB = 4,4‧,4″-nitrilotrisbenzoic acid; DMA = N,N-dimethylacetamide) (1) was obtained under solvothermal condition. The resulted MOF which is based on {Zn3} SBU displays an interesting (3,6)-connected three-dimensional net with nanosized, hexagonal channels. Additionally, 1 can be a useful fluorescent indicator for the detection of nitroaromatic explosives qualitatively and quantitatively via a strong quenching effect, especially for picric acid (PA). With increasing - NO2 groups, energy transfer from the electron-donating framework to high electron deficiency becomes more, making the effect of fluorescence quenching more obvious. The result demonstrates that the photo-induced electron transfer (PET) is responsible for the emission quenching.

Optical second-harmonic-generation probe of two-dimensional ferroelectricity.

PubMed

Aktsipetrov, O A; Misuryaev, T V; Murzina, T V; Blinov, L M; Fridkin, V M; Palto, S P

2000-03-15

Optical second-harmonic generation (SHG) is used as a noninvasive probe of two-dimensional (2D) ferroelectricity in Langmuir-Blodgett (LB) films of the copolymer vinylidene fluoride with trifluoroethylene. The surface 2D ferroelectric-paraelectric phase transition in the topmost layer of the LB films and a thickness-independent (almost 2D) transition in the bulk of these films are observed in temperature studies of SHG.

Micro-structure and motion of two-dimensional dense short spherocylinder liquids

NASA Astrophysics Data System (ADS)

Wang, Wen; Lin, Jyun-Ting; Su, Yen-Shuo; I, Lin

2018-03-01

We numerically investigate the micro-structure and motion of 2D liquids composed of dense short spherocylinders, by reducing the shape aspect ratio from 3. It is found that reducing shape aspect ratio from 3 causes a smooth transition from heterogeneous structures composed of crystalline ordered domains with good tetratic alignment order to those with good hexagonal bond-orientational order at an aspect ratio equaling 1.35. In the intermediate regime, both structural orders are strongly deteriorated, and the translational hopping rate reaches a maximum due to the poor particle interlocking of the disordered structure. Shortening rod length allows easier rotation, induces monotonic increase of rotational hopping rates, and resumes the separation of rotational and translational hopping time scales at the small aspect ratio end, after the crossover of their rates in the intermediate regime. At the large shape aspect ratio end, the poor local tetratic order has the same positive effects on facilitating local rotational and translational hopping. In contrast, at the small shape aspect ratio end, the poor local bond orientational order has the opposite effects on facilitating local rotational and translational hopping.

The bias of a 2D view: Comparing 2D and 3D mesophyll surface area estimates using non-invasive imaging

USDA-ARS?s Scientific Manuscript database

The surface area of the leaf mesophyll exposed to intercellular airspace per leaf area (Sm) is closely associated with CO2 diffusion and photosynthetic rates. Sm is typically estimated from two-dimensional (2D) leaf sections and corrected for the three-dimensional (3D) geometry of mesophyll cells, l...

Formation of hexagonal and cubic ice during low-temperature growth

PubMed Central

Thürmer, Konrad; Nie, Shu

2013-01-01

From our daily life we are familiar with hexagonal ice, but at very low temperature ice can exist in a different structure––that of cubic ice. Seeking to unravel the enigmatic relationship between these two low-pressure phases, we examined their formation on a Pt(111) substrate at low temperatures with scanning tunneling microscopy and atomic force microscopy. After completion of the one-molecule-thick wetting layer, 3D clusters of hexagonal ice grow via layer nucleation. The coalescence of these clusters creates a rich scenario of domain-boundary and screw-dislocation formation. We discovered that during subsequent growth, domain boundaries are replaced by growth spirals around screw dislocations, and that the nature of these spirals determines whether ice adopts the cubic or the hexagonal structure. Initially, most of these spirals are single, i.e., they host a screw dislocation with a Burgers vector connecting neighboring molecular planes, and produce cubic ice. Films thicker than ∼20 nm, however, are dominated by double spirals. Their abundance is surprising because they require a Burgers vector spanning two molecular-layer spacings, distorting the crystal lattice to a larger extent. We propose that these double spirals grow at the expense of the initially more common single spirals for an energetic reason: they produce hexagonal ice. PMID:23818592

Computation of neutron fluxes in clusters of fuel pins arranged in hexagonal assemblies (2D and 3D)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prabha, H.; Marleau, G.

2012-07-01

For computations of fluxes, we have used Carvik's method of collision probabilities. This method requires tracking algorithms. An algorithm to compute tracks (in 2D and 3D) has been developed for seven hexagonal geometries with cluster of fuel pins. This has been implemented in the NXT module of the code DRAGON. The flux distribution in cluster of pins has been computed by using this code. For testing the results, they are compared when possible with the EXCELT module of the code DRAGON. Tracks are plotted in the NXT module by using MATLAB, these plots are also presented here. Results are presentedmore » with increasing number of lines to show the convergence of these results. We have numerically computed volumes, surface areas and the percentage errors in these computations. These results show that 2D results converge faster than 3D results. The accuracy on the computation of fluxes up to second decimal is achieved with fewer lines. (authors)« less

Observation and explanation of two-dimensional interconversion of oximes with multiple heart-cutting using comprehensive multidimensional gas chromatography.

PubMed

Kulsing, Chadin; Nolvachai, Yada; Wong, Yong Foo; Glouzman, Melissa I; Marriott, Philip J

2018-04-20

Real-time interconversion processes produce unconventional peak broadening in gas chromatography (GC), and can be used to generate kinetic and thermodynamic data. In this study, an unusual separation situation in comprehensive two dimensional GC where two dimensional interconversion (i.e. a raised plateau in both first and second dimension, 1 D and 2 D) was observed in analysis of oxime isomers. This resulted in a characteristic and unusual rectangular peak shape in the two dimensional result. A related theoretical approach was introduced to explain the peak shape supported by simulation results which can be varied depending on concentration profiles and kinetics of the process. The simulated results were supported by experimental results obtained by a comprehensive heart-cut multidimensional GC (H/C MDGC) approach which was developed to clearly investigate isomerisation of E/Z oxime molecules in both 1 D and 2 D separations under different isothermal conditions. The carrier gas flow and oven temperature were selected according to initial results for 1D interconversion on a poly(ethyleneglycol) stationary phase, which was further used in both 1 D and 2 D separations to result in broad zones of oxime interconversion in both dimensions. The method involved repetitive injections of oxime sample, then sampling contiguous fractions of sample into a long 2 D column which is intended to promote considerable interconversion. Comprehensiveness arises from the fact that the whole sample is sampled from the 1 D to the 2 D column, with the long 2 D column replacing the short 2 D column used in classical comprehensive two-dimensional gas chromatography, where the latter will not promote sufficient interconversion. Data processing and presentation permits a 'rectangular' distribution corresponding to the separated compounds, characteristic of this experiment. Copyright © 2018 Elsevier B.V. All rights reserved.

Influence of spatial configurations on electromagnetic interference shielding of ordered mesoporous carbon/ordered mesoporous silica/silica composites

PubMed Central

Wang, Jiacheng; Zhou, Hu; Zhuang, Jiandong; Liu, Qian

2013-01-01

Ordered mesoporous carbons (OMCs), obtained by nanocasting using ordered mesoporous silicas (OMSs) as hard templates, exhibit unique arrangements of ordered regular nanopore/nanowire mesostructures. Here, we used nanocasting combined with hot-pressing to prepare 10 wt% OMC/OMS/SiO2 ternary composites possessing various carbon mesostructure configurations of different dimensionalities (1D isolated CS41 carbon nanowires, 2D hexagonal CMK-3 carbon, and 3D cubic CMK-1 carbon). The electric/dielectric properties and electromagnetic interference (EMI) shielding efficiency (SE) of the composites were influenced by spatial configurations of carbon networks. The complex permittivity and the EMI SE of the composites in the X-band frequency range decreased for the carbon mesostructures in the following order: CMK-3-filled > CMK-1-filled > CS41-filled. Our study provides technical directions for designing and preparing high-performance EMI shielding materials. Our OMC-based silica composites can be used for EMI shielding, especially in high-temperature or corrosive environments, owing to the high stability of the OMC/OMS fillers and the SiO2 matrix. Related shielding mechanisms are also discussed. PMID:24248277

M{sub 2}X intermetallics: Nonmetal insertion in a h.c.-like metallic distribution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pivan, J.Y.; Guerin, R.

A simple structural model is proposed on the basis of an ideal hexagonal close-packing (AB){sup {infinity}} of the metal atoms M. The metalloid atoms X, located in an ordered manner in the metallic planes with the stacking sequence ..(A){sup {infinity}}.. or ..(B){sup {infinity}}.., generate two types of elementary units called units U{sub I} and U{sub II}. These units are hexagonal prisms with the fundamental vectors a{sub 0}, b{sub 0}, c{sub 0} and the elementary volume V{sub 0}. When the exclusive occurrence of U{sub I} (or U{sub II}) only yields 6-prismatic and triangular sites of metalloid atoms X, additional tetrahedral andmore » pyramidal sites of X atoms are present when units U{sub I} and U{sub II} exist simultaneously. The structures of compounds with the general formula M{sub 2}X (M = 3d, 4d, 5d and (or) 4f, 5f elements, X = B, P, As, Sb, Si, Ge, {hor_ellipsis}) are described in terms of intergrowth mechanisms. Binary, ternary, or even quaternary structures of compounds, with M/X ratios equal or close to two, appear as superstructures of the elementary units. Insofar as no ordering is considered along the stacking direction, the vectorial combinations of the fundamental vectors in the form A = h.a{sub 0}+s.b{sub 0}, B = k.a{sub 0}+t.b{sub 0}, C = c{sub 0} result in supercells with the volume V = (h.t {minus} k.s).V{sub 0}. The attainable symmetry (hexagonal, tetragonal, orthorhombic, monoclinic, {hor_ellipsis}) strongly depends on the particular values of the integers h, s, k, t. The criteria of occurrence of various series of compounds are presented together with their crystallographic features and structural relationships are emphasized. Moreover, the model demonstrates that numerous compounds with the predicted unit cell parameters should be obtained in each crystal system.« less

Three-dimensional versus two-dimensional ultrasound for assessing levonorgestrel intrauterine device location: A pilot study.

PubMed

Andrade, Carla Maria Araujo; Araujo Júnior, Edward; Torloni, Maria Regina; Moron, Antonio Fernandes; Guazzelli, Cristina Aparecida Falbo

2016-02-01

To compare the rates of success of two-dimensional (2D) and three-dimensional (3D) sonographic (US) examinations in locating and adequately visualizing levonorgestrel intrauterine devices (IUDs) and to explore factors associated with the unsuccessful viewing on 2D US. Transvaginal 2D and 3D US examinations were performed on all patients 1 month after insertion of levonorgestrel IUDs. The devices were considered adequately visualized on 2D US if both the vertical (shadow, upper and lower extremities) and the horizontal (two echogenic lines) shafts were identified. 3D volumes were also captured to assess the location of levonorgestrel IUDs on 3D US. Thirty women were included. The rates of adequate device visualization were 40% on 2D US (95% confidence interval [CI], 24.6; 57.7) and 100% on 3D US (95% CI, 88.6; 100.0). The device was not adequately visualized in all six women who had a retroflexed uterus, but it was adequately visualized in 12 of the 24 women (50%) who had a nonretroflexed uterus (95% CI, -68.6; -6.8). We found that 3D US is better than 2D US for locating and adequately visualizing levonorgestrel IUDs. Other well-designed studies with adequate power should be conducted to confirm this finding. © 2015 Wiley Periodicals, Inc.

Color Constancy in Two-Dimensional and Three-Dimensional Scenes: Effects of Viewing Methods and Surface Texture.

PubMed

Morimoto, Takuma; Mizokami, Yoko; Yaguchi, Hirohisa; Buck, Steven L

2017-01-01

There has been debate about how and why color constancy may be better in three-dimensional (3-D) scenes than in two-dimensional (2-D) scenes. Although some studies have shown better color constancy for 3-D conditions, the role of specific cues remains unclear. In this study, we compared color constancy for a 3-D miniature room (a real scene consisting of actual objects) and 2-D still images of that room presented on a monitor using three viewing methods: binocular viewing, monocular viewing, and head movement. We found that color constancy was better for the 3-D room; however, color constancy for the 2-D image improved when the viewing method caused the scene to be perceived more like a 3-D scene. Separate measurements of the perceptual 3-D effect of each viewing method also supported these results. An additional experiment comparing a miniature room and its image with and without texture suggested that surface texture of scene objects contributes to color constancy.

Band gap engineering of N-alloyed Ga{sub 2}O{sub 3} thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Dongyu; Li, Bingsheng, E-mail: libingsheng@hit.edu.cn, E-mail: ashen@ccny.cuny.edu; Sui, Yu

2016-06-15

The authors report the tuning of band gap of GaON ternary alloy in a wide range of 2.75 eV. The samples were prepared by a two-step nitridation method. First, the samples were deposited on 2-inch fused silica substrates by megnetron sputtering with NH{sub 3} and Ar gas for 60 minutes. Then they were annealed in NH{sub 3} ambience at different temperatures. The optical band gap energies are calculated from transmittance measurements. With the increase of nitridation temperature, the band gap gradually decreases from 4.8 eV to 2.05 eV. X-ray diffraction results indicate that as-deposited amorphous samples can crystallize into monoclinicmore » and hexagonal structures after they were annealed in oxygen or ammonia ambience, respectively. The narrowing of the band gap is attributed to the enhanced repulsion of N2p -Ga3d orbits and formation of hexagonal structure.« less

Cubic ice and large humidity with respect to ice in cold cirrus clouds

NASA Astrophysics Data System (ADS)

Bogdan, A.; Loerting, T.

2009-04-01

Recently several studies have reported about the possible formation of cubic ice in upper-tropospheric cirrus ice clouds and its role in the observed elevated relative humidity with respect to hexagonal ice, RHi, within the clouds. Since cubic ice is metastable with respect to stable hexagonal ice, its vapour pressure is higher. A key issue in determining the ratio of vapour pressures of cubic ice Pc and hexagonal ice Ph is the enthalpy of transformation from cubic to hexagonal ice Hc→h. By dividing the two integrated forms of the Clausius-Clapeyron equation for cubic ice and hexagonal ice, one obtains the relationship (1): ln Pc-- ln P*c-=--(Hc→h--) Ph P*h R 1T-- 1T* (1) from which the importance of Hc→h is evident. In many literature studies the approximation (2) is used: ln Pc-= Hc-→h. Ph RT (2) Using this approximated form one can predict the ratio of vapour pressures by measuring Hc→h. Unfortunately, the measurement of Hc→h is difficult. First, the enthalpy difference is very small, and the transition takes place over a broad temperature range, e.g., between 230 K and 260 K in some of our calorimetry experiments. Second, cubic ice (by contrast to hexagonal ice) can not be produced as a pure crystal. It always contains hexagonal stacking faults, which are evidenced by the (111)-hexagonal Bragg peak in the powder diffractogram. If the number of hexagonal stacking faults in cubic ice is high, then one could even consider this material as hexagonal ice with cubic stacking faults. Using the largest literature value of the change of enthalpy of transformation from cubic to hexagonal ice, Hc→h ? 160 J/mol, Murphy and Koop (2005) calculated that Pc would be ~10% higher than that of hexagonal ice Phat 180 K - 190 K, which agrees with the measurements obtained later by Shilling et al. (2006). Based on this result Shilling et al. concluded that "the formation of cubic ice at T < 202 K may significantly contribute to the persistent in-cloud water supersaturations" in the upper-tropospheric cold cirrus clouds. Using instead the value of Hc→h ? 50 J/mol (Handa et al., 1986; Mayer and Hallbrucker, 1987) the calculation gives that Pc is only ~3% larger than that of Ph. Recently it has been reported that emulsified water droplets freeze to cubic ice when being cooled at a rate of 10 K/min (Murray and Bertram, 2006,). We prepared emulsified droplets using the same emulsification technique and studied them with a differential scanning calorimeter (DSC) between 278 and 180 K using a scanning rate of 10 K/min. During the warming of the samples we observed a very broad, tiny exothermal peak approximately between 230 and 260 K. Kohl et al. (2000) observed exothermal peak at ~230 K during the warming at 30 K/min of several samples of hyperquenched glassy water (HGW) prepared at temperature between 130 and 190 K. They attributed this peak to the cubic-to-hexagonal ice transition and estimated Hc→h to be between ~33 and 75 J/mol. Johari (2005) used the value of Hc→h ? 37 J/mol. Assuming that in our case the broad peak between 230 and 260 K is also due to the cubic-to-hexagonal ice transition we obtained approximately between 10 and 25 J/mol for Hc→h. This low enthalpy of transformation suggests that cubic ice in the atmosphere contains many hexagonal stacking faults. Using these values of Hc→h for cubic ice as produced at atmospheric cooling rates, the above mentioned formula gives that Pc is larger than that of Ph only by ~1%. We, therefore, suggest that the difference in the water vapor pressures between ice Ic and ice Ih is small and does not play a significant role in the elevation of RHi in cold cirrus clouds. Murphy, D. M., and T. Koop (2005), Q. J. R. Meteorol. Soc. 131, 1539-1565. Shilling, J. E. et al. (2006). Geophys. Res. Lett. 33, L17801, doi:1029/2006GL026671. Handa, P. Y., D. D. Klug, and E. Whalley (1986). J. Chem. Phys. 84, 7009-7010. Mayer, E., and A. Hallbrucker (1987), Nature, 325, 601-602. Murray, B. J. and A. K. Bertram (2006), Phys. Chem. Chem. Phys. 8, 186-192. Kohl, I., E. Mayer, and A. Hallbrucker (2000), Phys. Chem. Chem. Phys. 2, 1579-1586. G. P. Johari, (2005), J. Chem. Phys. 122, 194504.

Arrays of Molecular Rotors with Triptycene Stoppers: Surface Inclusion in Hexagonal Tris(o-phenylenedioxy)cyclotriphosphazene.

PubMed

Kaleta, Jiří; Dron, Paul I; Zhao, Ke; Shen, Yongqiang; Císařová, Ivana; Rogers, Charles T; Michl, Josef

2015-06-19

A new generation of rod-shaped dipolar molecular rotors designed for controlled insertion into channel arrays in the surface of hexagonal tris(o-phenylenedioxy)cyclotriphosphazene (TPP) has been designed and synthesized. Triptycene is used as a stopper intended to prevent complete insertion, forcing the formation of a surface inclusion. Two widely separated (13)C NMR markers are present in the shaft for monitoring the degree of insertion. The structure of the two-dimensional rotor arrays contained in these surface inclusions was examined by solid-state NMR and X-ray powder diffraction. The NMR markers and the triptycene stopper functioned as designed, but half of the guest molecules were not inserted as deeply into the TPP channels as the other half. As a result, the dipolar rotators were distributed equally in two planes parallel to the crystal surface instead of being located in a single plane as would be required for ferroelectricity. Dielectric spectroscopy revealed rotational barriers of ∼4 kcal/mol but no ferroelectric behavior.

Three-Dimensional Finite Element Analysis of Varying Diameter and Connection Type in Implants with High Crown-Implant Ratio.

PubMed

Moraes, Sandra Lúcia Dantas de; Verri, Fellippo Ramos; Santiago, Joel Ferreira; Almeida, Daniel Augusto de Faria; Lemos, Cleidiel Aparecido Araujo; Gomes, Jéssica Marcela de Luna; Pellizzer, Eduardo Piza

2018-01-01

The aim of this study was to evaluate the effect of varying the diameter, connection type and loading on stress distribution in the cortical bone for implants with a high crown-implant ratio. Six 3D models were simulated with the InVesalius, Rhinoceros 3D 4.0 and SolidWorks 2011 software programs. Models were composed of bone from the posterior mandibular region; they included an implant of 8.5 mm length, diameter Ø 3.75 mm or Ø 5.00 mm and connection types such as external hexagon (EH), internal hexagon (IH) and Morse taper (MT). Models were processed using the Femap 11.2 and NeiNastran 11.0 programs and by using an axial force of 200 N and oblique force of 100 N. Results were recorded in terms of the maximum principal stress. Oblique loading showed high stress in the cortical bone compared to that shown by axial loading. The results showed that implants with a wide diameter showed more favorable stress distribution in the cortical bone region than regular diameter, regardless of the connection type. Morse taper implants showed better stress distribution compared to other connection types, especially in the oblique loading. Thus, oblique loading showed higher stress concentration in cortical bone tissue when compared with axial loading. Wide diameter implant was favorable for improved stress distribution in the cortical bone region, while Morse taper implants showed lower stress concentration than other connections.

Hexagonal MoTe2 with Amorphous BN Passivation Layer for Improved Oxidation Resistance and Endurance of 2D Field Effect Transistors.

PubMed

Sirota, Benjamin; Glavin, Nicholas; Krylyuk, Sergiy; Davydov, Albert V; Voevodin, Andrey A

2018-06-06

Environmental and thermal stability of two-dimensional (2D) transition metal dichalcogenides (TMDs) remains a fundamental challenge towards enabling robust electronic devices. Few-layer 2H-MoTe 2 with an amorphous boron nitride (a-BN) covering layer was synthesized as a channel for back-gated field effect transistors (FET) and compared to uncovered MoTe 2 . A systematic approach was taken to understand the effects of heat treatment in air on the performance of FET devices. Atmospheric oxygen was shown to negatively affect uncoated MoTe 2 devices while BN-covered FETs showed considerably enhanced chemical and electronic characteristic stability. Uncapped MoTe 2 FET devices, which were heated in air for one minute, showed a polarity switch from n- to p-type at 150 °C, while BN-MoTe 2 devices switched only after 200 °C of heat treatment. Time-dependent experiments at 100 °C showed that uncapped MoTe 2 samples exhibited the polarity switch after 15 min of heat treatment while the BN-capped device maintained its n-type conductivity for the maximum 60 min duration of the experiment. X-ray photoelectron spectroscopy (XPS) analysis suggests that oxygen incorporation into MoTe 2 was the primary doping mechanism for the polarity switch. This work demonstrates the effectiveness of an a-BN capping layer in preserving few-layer MoTe 2 material quality and controlling its conductivity type at elevated temperatures in an atmospheric environment.

Search for magnetism in transition metal atoms doped tetragonal graphene: A DFT approach

NASA Astrophysics Data System (ADS)

Chowdhury, Suman; Majumdar, Arnab; Jana, Debnarayan

2017-11-01

The discovery of different two-dimensional (2D) materials both theoretically and experimentally, can change the scenario of the current electronic industry because of their intriguing properties. Among the 2D materials, the first one which was discovered experimentally was graphene. In this work we have studied the electronic and magnetic properties of a new allotrope of disordered graphene, which is not hexagonal, rather possesses tetragonal symmetry known as T-graphene (TG). Density functional theory (DFT) has been thoroughly employed to study the relevant electronic properties. In previous works, it has been reported that pristine TG is non-magnetic. It is also known that, introducing transition metal (TM) atoms is a feasible way to control the electronic and magnetic properties. Here we have reported the relevant properties of four TM atoms i.e. Sc, V, Cr and Mn doped TG. From the defect formation energy study, it has been noticed that all the structures are endothermic in nature. For each case, we have found appreciable amount of magnetic moment. With increasing atomic weight of the dopant atom, the magnitude of the magnetic moment also increases. We have tried to explain this magnetic ordering with the help of spin-polarized partial density of states (PDOS). Controlling spin degrees of freedom is important for building spintronic devices. From that point of view, we hope this study will be useful to build TG based spintronic devices.

Grid cells on steeply sloping terrain: evidence for planar rather than volumetric encoding

PubMed Central

Hayman, Robin M. A.; Casali, Giulio; Wilson, Jonathan J.; Jeffery, Kate J.

2015-01-01

Neural encoding of navigable space involves a network of structures centered on the hippocampus, whose neurons –place cells – encode current location. Input to the place cells includes afferents from the entorhinal cortex, which contains grid cells. These are neurons expressing spatially localized activity patches, or firing fields, that are evenly spaced across the floor in a hexagonal close-packed array called a grid. It is thought that grids function to enable the calculation of distances. The question arises as to whether this odometry process operates in three dimensions, and so we queried whether grids permeate three-dimensional (3D) space – that is, form a lattice – or whether they simply follow the environment surface. If grids form a 3D lattice then this lattice would ordinarily be aligned horizontally (to explain the usual hexagonal pattern observed). A tilted floor would transect several layers of this putative lattice, resulting in interruption of the hexagonal pattern. We model this prediction with simulated grid lattices, and show that the firing of a grid cell on a 40°-tilted surface should cover proportionally less of the surface, with smaller field size, fewer fields, and reduced hexagonal symmetry. However, recording of real grid cells as animals foraged on a 40°-tilted surface found that firing of grid cells was almost indistinguishable, in pattern or rate, from that on the horizontal surface, with if anything increased coverage and field number, and preserved field size. It thus appears unlikely that the sloping surface transected a lattice. However, grid cells on the slope displayed slightly degraded firing patterns, with reduced coherence and slightly reduced symmetry. These findings collectively suggest that the grid cell component of the metric representation of space is not fixed in absolute 3D space but is influenced both by the surface the animal is on and by the relationship of this surface to the horizontal, supporting the hypothesis that the neural map of space is “multi-planar” rather than fully volumetric. PMID:26236245

Surface magnetism in a chiral d -wave superconductor with hexagonal symmetry

NASA Astrophysics Data System (ADS)

Goryo, Jun; Imai, Yoshiki; Rui, W. B.; Sigrist, Manfred; Schnyder, Andreas P.

2017-10-01

Surface properties are examined in a chiral d -wave superconductor with hexagonal symmetry, whose one-body Hamiltonian possesses intrinsic spin-orbit coupling identical to the one characterizing the topological nature of the Kane-Mele honeycomb insulator. In the normal state, spin-orbit coupling gives rise to spontaneous surface spin currents, whereas in the superconducting state, besides the spin currents, there exist also charge surface currents, due to chiral pairing symmetry. Interestingly, the combination of these two currents results in a surface spin polarization, whose spatial dependence is markedly different on the zigzag and armchair surfaces. We discuss various potential candidate materials, such as SrPtAs, which may exhibit these surface properties.

Three-dimensional color Doppler echocardiographic quantification of tricuspid regurgitation orifice area: comparison with conventional two-dimensional measures.

PubMed

Chen, Tien-En; Kwon, Susan H; Enriquez-Sarano, Maurice; Wong, Benjamin F; Mankad, Sunil V

2013-10-01

Three-dimensional (3D) color Doppler echocardiography (CDE) provides directly measured vena contracta area (VCA). However, a large comprehensive 3D color Doppler echocardiographic study with sufficiently severe tricuspid regurgitation (TR) to verify its value in determining TR severity in comparison with conventional quantitative and semiquantitative two-dimensional (2D) parameters has not been previously conducted. The aim of this study was to examine the utility and feasibility of directly measured VCA by 3D transthoracic CDE, its correlation with 2D echocardiographic measurements of TR, and its ability to determine severe TR. Ninety-two patients with mild or greater TR prospectively underwent 2D and 3D transthoracic echocardiography. Two-dimensional evaluation of TR severity included the ratio of jet area to right atrial area, vena contracta width, and quantification of effective regurgitant orifice area using the flow convergence method. Full-volume breath-hold 3D color data sets of TR were obtained using a real-time 3D echocardiography system. VCA was directly measured by 3D-guided direct planimetry of the color jet. Subgroup analysis included the presence of a pacemaker, eccentricity of the TR jet, ellipticity of the orifice shape, underlying TR mechanism, and baseline rhythm. Three-dimensional VCA correlated well with effective regurgitant orifice area (r = 0.62, P < .0001), moderately with vena contracta width (r = 0.42, P < .0001), and weakly with jet area/right atrial area ratio. Subgroup analysis comparing 3D VCA with 2D effective regurgitant orifice area demonstrated excellent correlation for organic TR (r = 0.86, P < .0001), regular rhythm (r = 0.78, P < .0001), and circular orifice (r = 0.72, P < .0001) but poor correlation in atrial fibrillation rhythm (r = 0.23, P = .0033). Receiver operating characteristic curve analysis for 3D VCA demonstrated good accuracy for severe TR determination. Three-dimensional VCA measurement is feasible and obtainable in the majority of patients with mild or greater TR. Three-dimensional VCA measurement is also feasible in patients with atrial fibrillation but performed poorly even with <20% cycle length variation. Three-dimensional VCA has good cutoff accuracy in determining severe TR. This simple, straightforward 3D color Doppler measurement shows promise as an alternative for the quantification of TR. Copyright © 2013 American Society of Echocardiography. Published by Mosby, Inc. All rights reserved.

Two-dimensional Dirac fermions in thin films of C d3A s2

NASA Astrophysics Data System (ADS)

Galletti, Luca; Schumann, Timo; Shoron, Omor F.; Goyal, Manik; Kealhofer, David A.; Kim, Honggyu; Stemmer, Susanne

2018-03-01

Two-dimensional states in confined thin films of the three-dimensional Dirac semimetal C d3A s2 are probed by transport and capacitance measurements under applied magnetic and electric fields. The results establish the two-dimensional Dirac electronic spectrum of these states. We observe signatures of p -type conduction in the two-dimensional states as the Fermi level is tuned across their charge neutrality point and the presence of a zero-energy Landau level, all of which indicate topologically nontrivial states. The resistance at the charge neutrality point is approximately h /e2 and increases rapidly under the application of a magnetic field. The results open many possibilities for gate-tunable topological devices and for the exploration of novel physics in the zero-energy Landau level.

Two-dimensional limit of crystalline order in perovskite membrane films

PubMed Central

Hong, Seung Sae; Yu, Jung Ho; Lu, Di; Marshall, Ann F.; Hikita, Yasuyuki; Cui, Yi; Hwang, Harold Y.

2017-01-01

Long-range order and phase transitions in two-dimensional (2D) systems—such as magnetism, superconductivity, and crystallinity—have been important research topics for decades. The issue of 2D crystalline order has reemerged recently, with the development of exfoliated atomic crystals. Understanding the dimensional limit of crystalline phases, with different types of bonding and synthetic techniques, is at the foundation of low-dimensional materials design. We study ultrathin membranes of SrTiO3, an archetypal perovskite oxide with isotropic (3D) bonding. Atomically controlled membranes are released after synthesis by dissolving an underlying epitaxial layer. Although all unreleased films are initially single-crystalline, the SrTiO3 membrane lattice collapses below a critical thickness (5 unit cells). This crossover from algebraic to exponential decay of the crystalline coherence length is analogous to the 2D topological Berezinskii-Kosterlitz-Thouless (BKT) transition. The transition is likely driven by chemical bond breaking at the 2D layer-3D bulk interface, defining an effective dimensional phase boundary for coherent crystalline lattices. PMID:29167822

Two-dimensional limit of crystalline order in perovskite membrane films

DOE PAGES

Hong, Seung Sae; Yu, Jung Ho; Lu, Di; ...

2017-11-17

Long-range order and phase transitions in two-dimensional (2D) systems—such as magnetism, superconductivity, and crystallinity—have been important research topics for decades. The issue of 2D crystalline order has reemerged recently, with the development of exfoliated atomic crystals. Understanding the dimensional limit of crystalline phases, with different types of bonding and synthetic techniques, is at the foundation of low-dimensional materials design. We study ultrathin membranes of SrTiO 3, an archetypal perovskite oxide with isotropic (3D) bonding. Atomically controlled membranes are released after synthesis by dissolving an underlying epitaxial layer. Although all unreleased films are initially single-crystalline, the SrTiO 3 membrane lattice collapsesmore » below a critical thickness (5 unit cells). This crossover from algebraic to exponential decay of the crystalline coherence length is analogous to the 2D topological Berezinskii-Kosterlitz-Thouless (BKT) transition. Finally, the transition is likely driven by chemical bond breaking at the 2D layer-3D bulk interface, defining an effective dimensional phase boundary for coherent crystalline lattices.« less

Synthesis of atomically thin hexagonal boron nitride films on nickel foils by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Nakhaie, S.; Wofford, J. M.; Schumann, T.; Jahn, U.; Ramsteiner, M.; Hanke, M.; Lopes, J. M. J.; Riechert, H.

2015-05-01

Hexagonal boron nitride (h-BN) is a layered two-dimensional material with properties that make it promising as a dielectric in various applications. We report the growth of h-BN films on Ni foils from elemental B and N using molecular beam epitaxy. The presence of crystalline h-BN over the entire substrate is confirmed by Raman spectroscopy. Atomic force microscopy is used to examine the morphology and continuity of the synthesized films. A scanning electron microscopy study of films obtained using shorter depositions offers insight into the nucleation and growth behavior of h-BN on the Ni substrate. The morphology of h-BN was found to evolve from dendritic, star-shaped islands to larger, smooth triangular ones with increasing growth temperature.

Origin of band gaps in graphene on hexagonal boron nitride

PubMed Central

Jung, Jeil; DaSilva, Ashley M.; MacDonald, Allan H.; Adam, Shaffique

2015-01-01

Recent progress in preparing well-controlled two-dimensional van der Waals heterojunctions has opened up a new frontier in materials physics. Here we address the intriguing energy gaps that are sometimes observed when a graphene sheet is placed on a hexagonal boron nitride substrate, demonstrating that they are produced by an interesting interplay between structural and electronic properties, including electronic many-body exchange interactions. Our theory is able to explain the observed gap behaviour by accounting first for the structural relaxation of graphene’s carbon atoms when placed on a boron nitride substrate, and then for the influence of the substrate on low-energy π-electrons located at relaxed carbon atom sites. The methods we employ can be applied to many other van der Waals heterojunctions. PMID:25695638

Three-dimensional compound comparison methods and their application in drug discovery.

PubMed

Shin, Woong-Hee; Zhu, Xiaolei; Bures, Mark Gregory; Kihara, Daisuke

2015-07-16

Virtual screening has been widely used in the drug discovery process. Ligand-based virtual screening (LBVS) methods compare a library of compounds with a known active ligand. Two notable advantages of LBVS methods are that they do not require structural information of a target receptor and that they are faster than structure-based methods. LBVS methods can be classified based on the complexity of ligand structure information utilized: one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D). Unlike 1D and 2D methods, 3D methods can have enhanced performance since they treat the conformational flexibility of compounds. In this paper, a number of 3D methods will be reviewed. In addition, four representative 3D methods were benchmarked to understand their performance in virtual screening. Specifically, we tested overall performance in key aspects including the ability to find dissimilar active compounds, and computational speed.

FireStem2D — A two-dimensional heat transfer model for simulating tree stem injury in fires

Treesearch

Efthalia K. Chatziefstratiou; Gil Bohrer; Anthony S. Bova; Ravishankar Subramanian; Renato P.M. Frasson; Amy Scherzer; Bret W. Butler; Matthew B. Dickinson

2013-01-01

FireStem2D, a software tool for predicting tree stem heating and injury in forest fires, is a physically-based, two-dimensional model of stem thermodynamics that results from heating at the bark surface. It builds on an earlier one-dimensional model (FireStem) and provides improved capabilities for predicting fire-induced mortality and injury before a fire occurs by...

Construction of noninterpenetrating and interpenetrating Co(ii) networks with halogenated carboxylate modulated by auxiliary N-donor co-ligands: structural diversity, electrochemical and photocatalytic properties.

PubMed

Hao, Shao Yun; Hou, Suo Xia; Van Hecke, Kristof; Cui, Guang Hua

2017-02-14

Six Co(ii)-based coordination polymers (CPs) with characteristic frameworks and topologies-namely, [Co(L1)(DCTP)] n (1), [Co(L2)(DCTP)] n (2), [Co(L3)(DCTP)] n (3), {[Co 3 (L4) 3 (DCTP) 3 ·H 2 O]·H 2 O} n (4), [Co(L5) 1.5 (DCTP)] n (5) and [Co(L6)(DCTP)] n (6)-were successfully hydrothermally synthesized by employing the halogenated linear ligand 2,5-dichloroterephthalic acid (H 2 DCTP). The interpenetrated structures could be rationally modulated by auxiliary N-donor co-ligands containing 1,1'-(1,4-butanediyl)bis-1H-benzimidazole (L1), 1,4-bis(5,6-dimethylbenzimidazol-1-yl)-2-butylene (L2), 1,2-bis(2-methylbenzimidazol-1-ylmethyl)benzene (L3), 1,4-bis(2-methylbenzimidazol-1-ylmethyl)benzene (L4), 1,2-bis(5,6-dimethylbenzimidazol-1-ylmethyl)benzene (L5) and 1,4-bis(5,6-dimethylbenzimidazol-1-ylmethyl)benzene (L6). These diaphanous crystals were clearly characterized by elemental analysis, infrared (IR) spectra and X-ray powder diffraction (XRPD) as well as single-crystal X-ray diffraction analysis. With the aid of the flexible N-donor co-ligands, CP 1 occupies a non-interpenetrated 2D sheet with the point symbol {4 4 ·6 2 } sql net topology, CP 2 possesses a 3D hexagon-shaped network with the point symbol {6 6 } three-fold interpenetrated sqc6 topology, CP 3 exhibits a 2D layer with the point symbol {4 4 ·6 2 } sql net topology, CP 4 reveals an unusual 3D framework with the point symbol {4 2 ·6 3 ·8} three-fold interpenetrated sra topology, CP 5 has a 3D hexagon-shaped network with the point symbol {6 6 } two-fold interpenetrated sqc6 topology, while CP 6 displays a 3D hexagon-shaped network with the point symbol {6 6 } three-fold interpenetrated sqc6 topology. The diverse structures of CPs 1-6 illustrate that the substitute group and position of the methyl group of the bis(benzimidazole) derivatives play a significant role in the assembly of such interpenetrated frameworks. Moreover, luminescence properties and thermal behavior, as well as the electrochemical and photocatalytic properties of CPs 1-6 on the degradation of methylene blue, are also presented.

Comparison between PVI2D and Abreu–Johnson’s Model for Petroleum Vapor Intrusion Assessment

PubMed Central

Yao, Yijun; Wang, Yue; Verginelli, Iason; Suuberg, Eric M.; Ye, Jianfeng

2018-01-01

Recently, we have developed a two-dimensional analytical petroleum vapor intrusion model, PVI2D (petroleum vapor intrusion, two-dimensional), which can help users to easily visualize soil gas concentration profiles and indoor concentrations as a function of site-specific conditions such as source strength and depth, reaction rate constant, soil characteristics, and building features. In this study, we made a full comparison of the results returned by PVI2D and those obtained using Abreu and Johnson’s three-dimensional numerical model (AJM). These comparisons, examined as a function of the source strength, source depth, and reaction rate constant, show that PVI2D can provide similar soil gas concentration profiles and source-to-indoor air attenuation factors (within one order of magnitude difference) as those by the AJM. The differences between the two models can be ascribed to some simplifying assumptions used in PVI2D and to some numerical limitations of the AJM in simulating strictly piecewise aerobic biodegradation and no-flux boundary conditions. Overall, the obtained results show that for cases involving homogenous source and soil, PVI2D can represent a valid alternative to more rigorous three-dimensional numerical models. PMID:29398981

Dysprosium complexes with mono-/di-carboxylate ligands—From simple dimers to 2D and 3D frameworks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Yingjie, E-mail: yzx@ansto.gov.au; Bhadbhade, Mohan; Scales, Nicholas

2014-11-15

Four dysprosium (Dy) single carboxylates, a formate, a propionate, a butyrate and an oxalate have been synthesized and structurally characterized. The structure of Dy(HCO{sub 2}){sub 3} (1) contains nine-fold coordinated Dy polyhedra in perfect tricapped trigonal prisms. They are linked through trigonal O atoms forming 1D pillars which are further linked together through tricapped O atoms into a 3D pillared metal organic framework. The network structure is stable up to 360 °C. The structure of [Dy{sub 2}(C{sub 2}O{sub 4}){sub 3}(H{sub 2}O){sub 6}]·2.5H{sub 2}O (2) contains nine-fold coordinated Dy polyhedra linking together through μ{sub 2}-bridging oxalate anions into a 2D hexagonalmore » layered structure. Both [Dy{sub 2}(Pr){sub 6}(H{sub 2}O){sub 4}]·(HPr){sub 0.5} (3) [Pr=(C{sub 2}H{sub 5}CO{sub 2}){sup −1}] and [Dy{sub 2}(Bu){sub 6}(H{sub 2}O){sub 4}] (4) [Bu=(C{sub 3}H{sub 7}CO{sub 2}){sup −1}] have similar di-nuclear structures. The Raman vibration modes of the complexes have been investigated. - Graphical abstract: Four dysprosium (Dy) complexes with formate, propionate, butyrate and oxalate ligands have been synthesized and characterized. The Dy formato complex has a 3D pillared metal organic framework and the structure is stable up to 360 °C whilst the complexes with longer alkyl chained mono-carboxylates possess similar di-nuclear structures. The Dy oxalato complex has a 2D hexagonal (honeycomb-type) structure. Their Raman vibration modes have been investigated. - Highlights: • New Dysprosium complexes with formate, propionate, butyrate and oxalate ligands. • Crystal structures range from dimers to two and three dimensional frameworks. • Vibrational modes have been investigated and correlated to the structures. • The complexes are thermal robust and stable to over 300 °C.« less

Efficient two-dimensional compressive sensing in MIMO radar

NASA Astrophysics Data System (ADS)

Shahbazi, Nafiseh; Abbasfar, Aliazam; Jabbarian-Jahromi, Mohammad

2017-12-01

Compressive sensing (CS) has been a way to lower sampling rate leading to data reduction for processing in multiple-input multiple-output (MIMO) radar systems. In this paper, we further reduce the computational complexity of a pulse-Doppler collocated MIMO radar by introducing a two-dimensional (2D) compressive sensing. To do so, we first introduce a new 2D formulation for the compressed received signals and then we propose a new measurement matrix design for our 2D compressive sensing model that is based on minimizing the coherence of sensing matrix using gradient descent algorithm. The simulation results show that our proposed 2D measurement matrix design using gradient decent algorithm (2D-MMDGD) has much lower computational complexity compared to one-dimensional (1D) methods while having better performance in comparison with conventional methods such as Gaussian random measurement matrix.

Generation Algorithm of Discrete Line in Multi-Dimensional Grids

NASA Astrophysics Data System (ADS)

Du, L.; Ben, J.; Li, Y.; Wang, R.

2017-09-01

Discrete Global Grids System (DGGS) is a kind of digital multi-resolution earth reference model, in terms of structure, it is conducive to the geographical spatial big data integration and mining. Vector is one of the important types of spatial data, only by discretization, can it be applied in grids system to make process and analysis. Based on the some constraint conditions, this paper put forward a strict definition of discrete lines, building a mathematic model of the discrete lines by base vectors combination method. Transforming mesh discrete lines issue in n-dimensional grids into the issue of optimal deviated path in n-minus-one dimension using hyperplane, which, therefore realizing dimension reduction process in the expression of mesh discrete lines. On this basis, we designed a simple and efficient algorithm for dimension reduction and generation of the discrete lines. The experimental results show that our algorithm not only can be applied in the two-dimensional rectangular grid, also can be applied in the two-dimensional hexagonal grid and the three-dimensional cubic grid. Meanwhile, when our algorithm is applied in two-dimensional rectangular grid, it can get a discrete line which is more similar to the line in the Euclidean space.

Flipping-shuttle oscillations of bright one- and two-dimensional solitons in spin-orbit-coupled Bose-Einstein condensates with Rabi mixing

NASA Astrophysics Data System (ADS)

Sakaguchi, Hidetsugu; Malomed, Boris A.

2017-10-01

We analyze the possibility of macroscopic quantum effects in the form of coupled structural oscillations and shuttle motion of bright two-component spin-orbit-coupled striped (one-dimensional, 1D) and semivortex (two-dimensional, 2D) matter-wave solitons, under the action of linear mixing (Rabi coupling) between the components. In 1D, the intrinsic oscillations manifest themselves as flippings between spatially even and odd components of striped solitons, while in 2D the system features periodic transitions between zero-vorticity and vortical components of semivortex solitons. The consideration is performed by means of a combination of analytical and numerical methods.

Limitations to the use of two-dimensional thermal modeling of a nuclear waste repository

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davis, B.W.

1979-01-04

Thermal modeling of a nuclear waste repository is basic to most waste management predictive models. It is important that the modeling techniques accurately determine the time-dependent temperature distribution of the waste emplacement media. Recent modeling studies show that the time-dependent temperature distribution can be accurately modeled in the far-field using a 2-dimensional (2-D) planar numerical model; however, the near-field cannot be modeled accurately enough by either 2-D axisymmetric or 2-D planar numerical models for repositories in salt. The accuracy limits of 2-D modeling were defined by comparing results from 3-dimensional (3-D) TRUMP modeling with results from both 2-D axisymmetric andmore » 2-D planar. Both TRUMP and ADINAT were employed as modeling tools. Two-dimensional results from the finite element code, ADINAT were compared with 2-D results from the finite difference code, TRUMP; they showed almost perfect correspondence in the far-field. This result adds substantially to confidence in future use of ADINAT and its companion stress code ADINA for thermal stress analysis. ADINAT was found to be somewhat sensitive to time step and mesh aspect ratio. 13 figures, 4 tables.« less

Thermal distributions of first, second and third quantization

NASA Astrophysics Data System (ADS)

McGuigan, Michael

1989-05-01

We treat first quantized string theory as two-dimensional gravity plus matter. This allows us to compute the two-dimensional density of one string states by the method of Darwin and Fowler. One can then use second quantized methods to form a grand microcanonical ensemble in which one can compute the density of multistring states of arbitrary momentum and mass. It is argued that modelling an elementary particle as a d-1-dimensional object whose internal degrees of freedom are described by a massless d-dimensional gas yields a density of internal states given by σ d(m)∼m -aexp((bm) {2(d-1)}/{d}) . This indicates that these objects cannot be in thermal equilibrium at any temperature unless d⩽2; that is for a string or a particle. Finally, we discuss the application of the above ideas to four-dimensional gravity and introduce an ensemble of multiuniverse states parameterized by second quantized canonical momenta and particle number.

Creation of half-metallic f -orbital Dirac fermion with superlight elements in orbital-designed molecular lattice

NASA Astrophysics Data System (ADS)

Cui, Bin; Huang, Bing; Li, Chong; Zhang, Xiaoming; Jin, Kyung-Hwan; Zhang, Lizhi; Jiang, Wei; Liu, Desheng; Liu, Feng

2017-08-01

Magnetism in solids generally originates from the localized d or f orbitals that are hosted by heavy transition-metal elements. Here, we demonstrate a mechanism for designing a half-metallic f -orbital Dirac fermion from superlight s p elements. Combining first-principles and model calculations, we show that bare and flat-band-sandwiched (FBS) Dirac bands can be created when C20 molecules are deposited into a two-dimensional hexagonal lattice, which are composed of f -molecular orbitals (MOs) derived from s p -atomic orbitals (AOs). Furthermore, charge doping of the FBS Dirac bands induces spontaneous spin polarization, converting the system into a half-metallic Dirac state. Based on this discovery, a model of a spin field effect transistor is proposed to generate and transport 100% spin-polarized carriers. Our finding illustrates a concept to realize exotic quantum states by manipulating MOs, instead of AOs, in orbital-designed molecular crystal lattices.

Two-dimensional simple proportional feedback control of a chaotic reaction system

NASA Astrophysics Data System (ADS)

Mukherjee, Ankur; Searson, Dominic P.; Willis, Mark J.; Scott, Stephen K.

2008-04-01

The simple proportional feedback (SPF) control algorithm may, in principle, be used to attain periodic oscillations in dynamic systems exhibiting low-dimensional chaos. However, if implemented within a discrete control framework with sampling frequency limitations, controller performance may deteriorate. This phenomenon is illustrated using simulations of a chaotic autocatalytic reaction system. A two-dimensional (2D) SPF controller that explicitly takes into account some of the problems caused by limited sampling rates is then derived by introducing suitable modifications to the original SPF method. Using simulations, the performance of the 2D-SPF controller is compared to that of a conventional SPF control law when implemented as a sampled data controller. Two versions of the 2D-SPF controller are described: linear (L2D-SPF) and quadratic (Q2D-SPF). The performance of both the L2D-SPF and Q2D-SPF controllers is shown to be superior to the SPF when controller sampling frequencies are decreased. Furthermore, it is demonstrated that the Q2D-SPF controller provides better fixed point stabilization compared to both the L2D-SPF and the conventional SPF when concentration measurements are corrupted by noise.

Extended arrays for nonlinear susceptibility magnitude imaging

PubMed Central

Ficko, Bradley W.; Giacometti, Paolo; Diamond, Solomon G.

2016-01-01

This study implements nonlinear susceptibility magnitude imaging (SMI) with multifrequency intermodulation and phase encoding. An imaging grid was constructed of cylindrical wells of 3.5-mm diameter and 4.2-mm height on a hexagonal two-dimensional 61-voxel pattern with 5-mm spacing. Patterns of sample wells were filled with 40-μl volumes of Fe3O4 starch-coated magnetic nanoparticles (mNPs) with a hydrodynamic diameter of 100 nm and a concentration of 25 mg/ml. The imaging hardware was configured with three excitation coils and three detection coils in anticipation that a larger imaging system will have arrays of excitation and detection coils. Hexagonal and bar patterns of mNP were successfully imaged (R2 > 0.9) at several orientations. This SMI demonstration extends our prior work to feature a larger coil array, enlarged field-of-view, effective phase encoding scheme, reduced mNP sample size, and more complex imaging patterns to test the feasibility of extending the method beyond the pilot scale. The results presented in this study show that nonlinear SMI holds promise for further development into a practical imaging system for medical applications. PMID:26124044

Comparison of two-dimensional and three-dimensional simulations of dense nonaqueous phase liquids (DNAPLs): Migration and entrapment in a nonuniform permeability field

NASA Astrophysics Data System (ADS)

Christ, John A.; Lemke, Lawrence D.; Abriola, Linda M.

2005-01-01

The influence of reduced dimensionality (two-dimensional (2-D) versus 3-D) on predictions of dense nonaqueous phase liquid (DNAPL) infiltration and entrapment in statistically homogeneous, nonuniform permeability fields was investigated using the University of Texas Chemical Compositional Simulator (UTCHEM), a 3-D numerical multiphase simulator. Hysteretic capillary pressure-saturation and relative permeability relationships implemented in UTCHEM were benchmarked against those of another lab-tested simulator, the Michigan-Vertical and Lateral Organic Redistribution (M-VALOR). Simulation of a tetrachloroethene spill in 16 field-scale aquifer realizations generated DNAPL saturation distributions with approximately equivalent distribution metrics in two and three dimensions, with 2-D simulations generally resulting in slightly higher maximum saturations and increased vertical spreading. Variability in 2-D and 3-D distribution metrics across the set of realizations was shown to be correlated at a significance level of 95-99%. Neither spill volume nor release rate appeared to affect these conclusions. Variability in the permeability field did affect spreading metrics by increasing the horizontal spreading in 3-D more than in 2-D in more heterogeneous media simulations. The assumption of isotropic horizontal spatial statistics resulted, on average, in symmetric 3-D saturation distribution metrics in the horizontal directions. The practical implication of this study is that for statistically homogeneous, nonuniform aquifers, 2-D simulations of saturation distributions are good approximations to those obtained in 3-D. However, additional work will be needed to explore the influence of dimensionality on simulated DNAPL dissolution.

Isotope engineering of van der Waals interactions in hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Vuong, T. Q. P.; Liu, S.; van der Lee, A.; Cuscó, R.; Artús, L.; Michel, T.; Valvin, P.; Edgar, J. H.; Cassabois, G.; Gil, B.

2018-02-01

Hexagonal boron nitride is a model lamellar compound where weak, non-local van der Waals interactions ensure the vertical stacking of two-dimensional honeycomb lattices made of strongly bound boron and nitrogen atoms. We study the isotope engineering of lamellar compounds by synthesizing hexagonal boron nitride crystals with nearly pure boron isotopes (10B and 11B) compared to those with the natural distribution of boron (20 at% 10B and 80 at% 11B). On the one hand, as with standard semiconductors, both the phonon energy and electronic bandgap varied with the boron isotope mass, the latter due to the quantum effect of zero-point renormalization. On the other hand, temperature-dependent experiments focusing on the shear and breathing motions of adjacent layers revealed the specificity of isotope engineering in a layered material, with a modification of the van der Waals interactions upon isotope purification. The electron density distribution is more diffuse between adjacent layers in 10BN than in 11BN crystals. Our results open perspectives in understanding and controlling van der Waals bonding in layered materials.

Isotope engineering of van der Waals interactions in hexagonal boron nitride.

PubMed

Vuong, T Q P; Liu, S; Van der Lee, A; Cuscó, R; Artús, L; Michel, T; Valvin, P; Edgar, J H; Cassabois, G; Gil, B

2018-02-01

Hexagonal boron nitride is a model lamellar compound where weak, non-local van der Waals interactions ensure the vertical stacking of two-dimensional honeycomb lattices made of strongly bound boron and nitrogen atoms. We study the isotope engineering of lamellar compounds by synthesizing hexagonal boron nitride crystals with nearly pure boron isotopes ( 10 B and 11 B) compared to those with the natural distribution of boron (20 at% 10 B and 80 at% 11 B). On the one hand, as with standard semiconductors, both the phonon energy and electronic bandgap varied with the boron isotope mass, the latter due to the quantum effect of zero-point renormalization. On the other hand, temperature-dependent experiments focusing on the shear and breathing motions of adjacent layers revealed the specificity of isotope engineering in a layered material, with a modification of the van der Waals interactions upon isotope purification. The electron density distribution is more diffuse between adjacent layers in 10 BN than in 11 BN crystals. Our results open perspectives in understanding and controlling van der Waals bonding in layered materials.

An existence criterion for low-dimensional materials

NASA Astrophysics Data System (ADS)

Chen, Jiapeng; Wang, Biao; Hu, Yangfan

2017-10-01

The discovery of graphene and other two-dimensional (2-D) materials has stimulated a general interest in low-dimensional (low-D) materials. Whereas long time ago, Peierls (1935) and Landau's (1937) theoretical work demonstrated that any one- and two-dimensional materials could not exist in any finite temperature environment. Then, two basic issues became a central concern for many researchers: How can stable low-D materials exist? What kind of low-D materials are stable? Here, we establish an energy stability criterion for low-D materials, which seeks to provide a clear answer to these questions. For a certain kind of element, the stability of its specific low-D structure is determined by several derivatives of its interatomic potential. This atomistic-based approach is then applied to study any straight/planar, low-D, equal-bond-length elemental materials. We found that 1-D monatomic chains, 2-D honeycomb lattices, square lattices, and triangular lattices are the only four permissible structures, and the stability of these structures can only be understood by assuming multi-body interatomic potentials. Using this approach, the stable existence of graphene, silicene and germanene can be explained.

Two- and three-dimensional accuracy of dental impression materials: effects of storage time and moisture contamination.

PubMed

Chandran, Deepa T; Jagger, Daryll C; Jagger, Robert G; Barbour, Michele E

2010-01-01

Dental impression materials are used to create an inverse replica of the dental hard and soft tissues, and are used in processes such as the fabrication of crowns and bridges. The accuracy and dimensional stability of impression materials are of paramount importance to the accuracy of fit of the resultant prosthesis. Conventional methods for assessing the dimensional stability of impression materials are two-dimensional (2D), and assess shrinkage or expansion between selected fixed points on the impression. In this study, dimensional changes in four impression materials were assessed using an established 2D and an experimental three-dimensional (3D) technique. The former involved measurement of the distance between reference points on the impression; the latter a contact scanning method for producing a computer map of the impression surface showing localised expansion, contraction and warpage. Dimensional changes were assessed as a function of storage times and moisture contamination comparable to that found in clinical situations. It was evident that dimensional changes observed using the 3D technique were not always apparent using the 2D technique, and that the former offers certain advantages in terms of assessing dimensional accuracy and predictability of impression methods. There are, however, drawbacks associated with 3D techniques such as the more time-consuming nature of the data acquisition and difficulty in statistically analysing the data.

Complete thoracoscopic lobectomy for cancer: comparative study of three-dimensional high-definition with two-dimensional high-definition video systems †.

PubMed

Bagan, Patrick; De Dominicis, Florence; Hernigou, Jacques; Dakhil, Bassel; Zaimi, Rym; Pricopi, Ciprian; Le Pimpec Barthes, Françoise; Berna, Pascal

2015-06-01

Common video systems for video-assisted thoracic surgery (VATS) provide the surgeon a two-dimensional (2D) image. This study aimed to evaluate performances of a new three-dimensional high definition (3D-HD) system in comparison with a two-dimensional high definition (2D-HD) system when conducting a complete thoracoscopic lobectomy (CTL). This multi-institutional comparative study trialled two video systems: 2D-HD and 3D-HD video systems used to conduct the same type of CTL. The inclusion criteria were T1N0M0 non-small-cell lung carcinoma (NSCLC) in the left lower lobe and suitable for thoracoscopic resection. The CTL was performed by the same surgeon using either a 3D-HD or 2D-HD system. Eighteen patients with NSCLC were included in the study between January and December 2013: 14 males, 4 females, with a median age of 65.6 years (range: 49-81). The patients were randomized before inclusion into two groups: to undergo surgery with the use of a 2D-HD or 3D-HD system. We compared operating time, the drainage duration, hospital stay and the N upstaging rate from the definitive histology. The use of the 3D-HD system significantly reduced the surgical time (by 17%). However, chest-tube drainage, hospital stay, the number of lymph-node stations and upstaging were similar in both groups. The main finding was that 3D-HD system significantly reduced the surgical time needed to complete the lobectomy. Thus, future integration of 3D-HD systems should improve thoracoscopic surgery, and enable more complex resections to be performed. It will also help advance the field of endoscopically assisted surgery. © The Author 2015. Published by Oxford University Press on behalf of the European Association for Cardio-Thoracic Surgery. All rights reserved.

Complete mechanical characterization of an external hexagonal implant connection: in vitro study, 3D FEM, and probabilistic fatigue.

PubMed

Prados-Privado, María; Gehrke, Sérgio A; Rojo, Rosa; Prados-Frutos, Juan Carlos

2018-06-11

The aim of this study was to fully characterize the mechanical behavior of an external hexagonal implant connection (ø3.5 mm, 10-mm length) with an in vitro study, a three-dimensional finite element analysis, and a probabilistic fatigue study. Ten implant-abutment assemblies were randomly divided into two groups, five were subjected to a fracture test to obtain the maximum fracture load, and the remaining were exposed to a fatigue test with 360,000 cycles of 150 ± 10 N. After mechanical cycling, all samples were attached to the torque-testing machine and the removal torque was measured in Newton centimeters. A finite element analysis (FEA) was then executed in ANSYS® to verify all results obtained in the mechanical tests. Finally, due to the randomness of the fatigue phenomenon, a probabilistic fatigue model was computed to obtain the probability of failure associated with each cycle load. FEA demonstrated that the fracture corresponded with a maximum stress of 2454 MPa obtained in the in vitro fracture test. Mean life was verified by the three methods. Results obtained by the FEA, the in vitro test, and the probabilistic approaches were in accordance. Under these conditions, no mechanical etiology failure is expected to occur up to 100,000 cycles. Graphical abstract ᅟ.

Fast-Moving Bacteria Self-Organize into Active Two-Dimensional Crystals of Rotating Cells

NASA Astrophysics Data System (ADS)

Petroff, Alexander P.; Wu, Xiao-Lun; Libchaber, Albert

2015-04-01

We investigate a new form of collective dynamics displayed by Thiovulum majus, one of the fastest-swimming bacteria known. Cells spontaneously organize on a surface into a visually striking two-dimensional hexagonal lattice of rotating cells. As each constituent cell rotates its flagella, it creates a tornadolike flow that pulls neighboring cells towards and around it. As cells rotate against their neighbors, they exert forces on one another, causing the crystal to rotate and cells to reorganize. We show how these dynamics arise from hydrodynamic and steric interactions between cells. We derive the equations of motion for a crystal, show that this model explains several aspects of the observed dynamics, and discuss the stability of these active crystals.

Femtosecond X-ray Diffraction From Two-Dimensional Protein Crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frank, Matthias; Carlson, David B.; Hunter, Mark

2014-02-28

Here we present femtosecond x-ray diffraction patterns from two-dimensional (2-D) protein crystals using an x-ray free electron laser (XFEL). To date it has not been possible to acquire x-ray diffraction from individual 2-D protein crystals due to radiation damage. However, the intense and ultrafast pulses generated by an XFEL permits a new method of collecting diffraction data before the sample is destroyed. Utilizing a diffract-before-destroy methodology at the Linac Coherent Light Source, we observed Bragg diffraction to better than 8.5 Å resolution for two different 2-D protein crystal samples that were maintained at room temperature. These proof-of-principle results show promisemore » for structural analysis of both soluble and membrane proteins arranged as 2-D crystals without requiring cryogenic conditions or the formation of three-dimensional crystals.« less

Evaluating mental workload of two-dimensional and three-dimensional visualization for anatomical structure localization.

PubMed

Foo, Jung-Leng; Martinez-Escobar, Marisol; Juhnke, Bethany; Cassidy, Keely; Hisley, Kenneth; Lobe, Thom; Winer, Eliot

2013-01-01

Visualization of medical data in three-dimensional (3D) or two-dimensional (2D) views is a complex area of research. In many fields 3D views are used to understand the shape of an object, and 2D views are used to understand spatial relationships. It is unclear how 2D/3D views play a role in the medical field. Using 3D views can potentially decrease the learning curve experienced with traditional 2D views by providing a whole representation of the patient's anatomy. However, there are challenges with 3D views compared with 2D. This current study expands on a previous study to evaluate the mental workload associated with both 2D and 3D views. Twenty-five first-year medical students were asked to localize three anatomical structures--gallbladder, celiac trunk, and superior mesenteric artery--in either 2D or 3D environments. Accuracy and time were taken as the objective measures for mental workload. The NASA Task Load Index (NASA-TLX) was used as a subjective measure for mental workload. Results showed that participants viewing in 3D had higher localization accuracy and a lower subjective measure of mental workload, specifically, the mental demand component of the NASA-TLX. Results from this study may prove useful for designing curricula in anatomy education and improving training procedures for surgeons.

Resistance to alveolar shape change limits range of force propagation in lung parenchyma.

PubMed

Ma, Baoshun; Smith, Bradford J; Bates, Jason H T

2015-06-01

We have recently shown that if the lung parenchyma is modeled in 2 dimensions as a network of springs arranged in a pattern of repeating hexagonal cells, the distortional forces around a contracting airway propagate much further from the airway wall than classic continuum theory predicts. In the present study we tested the hypothesis that this occurs because of the negligible shear modulus of a hexagonal spring network. We simulated the narrowing of an airway embedded in a hexagonal network of elastic alveolar walls when the hexagonal cells of the network offered some resistance to a change in shape. We found that as the forces resisting shape change approach about 10% of the forces resisting length change of an individual spring the range of distortional force propagation in the spring network fell of rapidly as in an elastic continuum. We repeated these investigations in a 3-dimensional spring network composed of space-filling polyhedral cells and found similar results. This suggests that force propagation away from a point of local parenchymal distortion also falls off rapidly in real lung tissue. Copyright © 2015 Elsevier B.V. All rights reserved.

Two-dimensional multiferroics in monolayer group IV monochalcogenides

NASA Astrophysics Data System (ADS)

Wang, Hua; Qian, Xiaofeng

2017-03-01

Low-dimensional multiferroic materials hold great promises in miniaturized device applications such as nanoscale transducers, actuators, sensors, photovoltaics, and nonvolatile memories. Here, using first-principles theory we predict that two-dimensional (2D) monolayer group IV monochalcogenides including GeS, GeSe, SnS, and SnSe are a class of 2D semiconducting multiferroics with giant strongly-coupled in-plane spontaneous ferroelectric polarization and spontaneous ferroelastic lattice strain that are thermodynamically stable at room temperature and beyond, and can be effectively modulated by elastic strain engineering. Their optical absorption spectra exhibit strong in-plane anisotropy with visible-spectrum excitonic gaps and sizable exciton binding energies, rendering the unique characteristics of low-dimensional semiconductors. More importantly, the predicted low domain wall energy and small migration barrier together with the coupled multiferroic order and anisotropic electronic structures suggest their great potentials for tunable multiferroic functional devices by manipulating external electrical, mechanical, and optical field to control the internal responses, and enable the development of four device concepts including 2D ferroelectric memory, 2D ferroelastic memory, and 2D ferroelastoelectric nonvolatile photonic memory as well as 2D ferroelectric excitonic photovoltaics.

Investigations on structural, vibrational, morphological and optical properties of CdS and CdS/Co films by ultrasonic spray pyrolysis

NASA Astrophysics Data System (ADS)

Aksay, S.; Polat, M.; Özer, T.; Köse, S.; Gürbüz, G.

2011-09-01

CdS and CdS/Co films have been deposited on glass substrates by an ultrasonic spray pyrolysis method. The effects of Co incorporation on the structural, optical, morphological, elemental and vibrational properties of these films were investigated. XRD analysis confirmed the hexagonal wurtzite structure of all films and had no impurity phase. While CdS film has (0 0 2) as the preferred orientation, CdS/Co films have (1 1 0) as the preferred orientation. The direct optical band gap was found to decrease from 2.42 to 2.39 eV by Co incorporation. The decrease of the direct energy gaps by increasing Co contents is mainly due to the sp-d exchange interaction between the localized d-electrons of Co2+ ions and band electrons of CdS. After the optical investigations, it was seen that the transmittance of CdS films decreased by Co content. The Raman measurements revealed two peaks corresponding to the 1LO and 2LO modes of hexagonal CdS. The vibrational modes of Cd-S were obtained in the wavenumber range (590-715 cm-1) using Fourier transform infrared spectroscopy (FTIR). The elemental analysis of the film was done by energy dispersive X-ray spectrometry.

Comparison of two-dimensional fast spin echo T2 weighted sequences and three-dimensional volume isotropic T2 weighted fast spin echo (VISTA) MRI in the evaluation of triangular fibrocartilage of the wrist.

PubMed

Park, Hee Jin; Lee, So Yeon; Kang, Kyung A; Kim, Eun Young; Shin, Hun Kyu; Park, Se Jin; Park, Jai Hyung; Kim, Eugene

2018-04-01

To compare image quality of three-dimensional volume isotropic T 2 weighted fast spin echo (3D VISTA) and two-dimensional (2D) T 2 weighted images (T2WI) for evaluation of triangular fibrocartilage (TFC) and to investigate whether 3D VISTA can replace 2D T 2 WI in evaluating TFC injury. This retrospective study included 69 patients who received wrist MRIs using both 2D T 2 WI and 3D VISTA techniques for assessment of wrist pathology, including TFC injury. Two radiologists measured the signal-to-noise ratio (SNR) and the contrast-to-noise ratio (CNR) of the two sequences. The anatomical identification score and diagnostic performance were independently assessed by two interpreters. The diagnostic abilities of 3D VISTA and 2D T 2 WI were analysed by sensitivity, specificity and accuracy for diagnosing TFC injury using surgically or clinically confirmed diagnostic reference standards. 17 cases (25%) were classified as having TFC injury. 2 cases (12%) were diagnosed surgically, and 15 cases (88%) were diagnosed by physical examination. 52 cases (75%) were diagnosed as having intact TFC. 8 of these cases (15%) were surgically confirmed, while the others were diagnosed by physical examination and clinical findings. The 3D VISTA images had significantly higher SNR and CNR values for the TFC than 2D T 2 WI images. The scores of 3D VISTA's total length, full width and sharpness were similar to those of 2D T 2 WI. We were unable to find a significant difference between 3D VISTA and 2D T 2 WI in the ability to diagnose TFC injury. 3D VISTA image quality is similar to that of 2D T 2 WI for TFC evaluation and is also excellent for tissue contrast. 3D VISTA can replace 2D images in TFC injury assessment. Advances in knowledge: 3D VISTA image quality is similar to that of 2D T 2 WI for TFC evaluation and is also excellent for tissue contrast. 3D VISTA can replace 2D images in TFC injury assessment.

Zinc Sulphide Overlayer Two-Dimensional Photonic Crystal for Enhanced Extraction of Light from a Micro Cavity Light-Emitting Diode

NASA Astrophysics Data System (ADS)

Mastro, Michael A.; Kim, Chul Soo; Kim, Mijin; Caldwell, Josh; Holm, Ron T.; Vurgaftman, Igor; Kim, Jihyun; Eddy, Charles R., Jr.; Meyer, Jerry R.

2008-10-01

A two-dimensional (2D) ZnS photonic crystal was deposited on the surface of a one-dimensional (1D) III-nitride micro cavity light-emitting diode (LED), to intermix the light extraction features of both structures (1D+2D). The deposition of an ideal micro-cavity optical thickness of ≈λ/2 is impractical for III-nitride LEDs, and in realistic multi-mode devices a large fraction of the light is lost to internal refraction as guided light. Therefore, a 2D photonic crystal on the surface of the LED was used to diffract and thus redirect this guided light out of the semiconductor over several hundred microns. Additionally, the employment of a post-epitaxy ZnS 2D photonic crystal avoided the typical etching into the GaN:Mg contact layer, a procedure which can cause damage to the near surface.

Tetragonal deformation of the hexagonal myofilament matrix in single skinned skeletal muscle fibres owing to change in sarcomere length.

PubMed

Schiereck, P; de Beer, E L; Grundeman, R L; Manussen, T; Kylstra, N; Bras, W

1992-10-01

Single skinned skeletal muscle fibres were immersed in solutions containing two different levels of activator calcium (pCa: 4.4; 6.0). Sarcomere length was varied from 1.6 to 3.5 microns and recorded by laser diffraction. Slack length was 2.0 microns. Small-angle equatorial X-ray diffraction patterns of relaxed and activated fibres at different sarcomere lengths were recorded using synchrotron radiation. The position and amplitude of the diffraction peaks were calculated from the spectra based on the hexagonal arrangement of the myofilament matrix, relating the position of the (1.0)- and (1.1)-diffraction peaks in this model by square root of 3. The diffraction peaks were fitted by five Gaussian functions (1.0, 1.1, 2.0, 2.1 and Z-line) and residual background was corrected by means of a hyperbola. The coupling of the position of the (1.0)- and (1.1)-peak was expressed as a factor: FAC = [d(1.0)/d(1.1)]/square root 3. In the relaxed state this coupling factor decreased at increasing sarcomere length (0.9880 +/- 0.002 at 2.0 microns; 0.900 +/- 0.01 at 3.5 microns). The coupling factor tends toward the one that will be obtained from the squared structure of actin filaments near the Z-discs. At shorter sarcomere lengths a decrease of the coupling factor has also been seen (0.9600 +/- 0.005 at 1.6 microns), giving rise to an increased uniform deformation of the hexagonal matrix, when sarcomere length is changed from slack length. From these experiments we conclude that a change in sarcomere length (from slack length) increases the deformation of the actin-myosin matrix to a tetragonal lattice.

Bak-Tang-Wiesenfeld model in the upper critical dimension: Induced criticality in lower-dimensional subsystems.

PubMed

Dashti-Naserabadi, H; Najafi, M N

2017-10-01

We present extensive numerical simulations of Bak-Tang-Wiesenfeld (BTW) sandpile model on the hypercubic lattice in the upper critical dimension D_{u}=4. After re-extracting the critical exponents of avalanches, we concentrate on the three- and two-dimensional (2D) cross sections seeking for the induced criticality which are reflected in the geometrical and local exponents. Various features of finite-size scaling (FSS) theory have been tested and confirmed for all dimensions. The hyperscaling relations between the exponents of the distribution functions and the fractal dimensions are shown to be valid for all dimensions. We found that the exponent of the distribution function of avalanche mass is the same for the d-dimensional cross sections and the d-dimensional BTW model for d=2 and 3. The geometrical quantities, however, have completely different behaviors with respect to the same-dimensional BTW model. By analyzing the FSS theory for the geometrical exponents of the two-dimensional cross sections, we propose that the 2D induced models have degrees of similarity with the Gaussian free field (GFF). Although some local exponents are slightly different, this similarity is excellent for the fractal dimensions. The most important one showing this feature is the fractal dimension of loops d_{f}, which is found to be 1.50±0.02≈3/2=d_{f}^{GFF}.

Three-dimensional visual guidance improves the accuracy of calculating right ventricular volume with two-dimensional echocardiography

NASA Technical Reports Server (NTRS)

Dorosz, Jennifer L.; Bolson, Edward L.; Waiss, Mary S.; Sheehan, Florence H.

2003-01-01

Three-dimensional guidance programs have been shown to increase the reproducibility of 2-dimensional (2D) left ventricular volume calculations, but these systems have not been tested in 2D measurements of the right ventricle. Using magnetic fields to identify the probe location, we developed a new 3-dimensional guidance system that displays the line of intersection, the plane of intersection, and the numeric angle of intersection between the current image plane and previously saved scout views. When used by both an experienced and an inexperienced sonographer, this guidance system increases the accuracy of the 2D right ventricular volume measurements using a monoplane pyramidal model. Furthermore, a reconstruction of the right ventricle, with a computed volume similar to the calculated 2D volume, can be displayed quickly by tracing a few anatomic structures on 2D scans.

Electronic structure and electron-phonon interaction in hexagonal yttrium by density functional calculations

NASA Astrophysics Data System (ADS)

Singh, Prabhakar P.

2007-03-01

To understand the pressure-induced changes in the electronic structure and the electron-phonon interaction in yttrium, we have studied hexagonal-close-packed (hcp) yttrium, stable at ambient pressure, and double hexagonal-close-packed (dhcp) yttrium, stable up to around 44GPa , using density-functional-based methods. Our results show that as one goes from hcp yttrium to dhcp yttrium, there are (i) a substantial charge transfer from s→d with extensive modifications of the d band and a sizable reduction in the density of states at the Fermi energy, (ii) a substantial stiffening of phonon modes with the electron-phonon coupling covering the entire frequency range, and (iii) an increase in the electron-phonon coupling constant λ from 0.55 to 1.24, leading to a change in the superconducting transition temperature Tc from 0.3to15.3K for μ*=0.2 .

Numerical modelling techniques of soft soil improvement via stone columns: A brief review

NASA Astrophysics Data System (ADS)

Zukri, Azhani; Nazir, Ramli

2018-04-01

There are a number of numerical studies on stone column systems in the literature. Most of the studies found were involved with two-dimensional analysis of the stone column behaviour, while only a few studies used three-dimensional analysis. The most popular software utilised in those studies was Plaxis 2D and 3D. Other types of software that used for numerical analysis are DIANA, EXAMINE, ZSoil, ABAQUS, ANSYS, NISA, GEOSTUDIO, CRISP, TOCHNOG, CESAR, GEOFEM (2D & 3D), FLAC, and FLAC 3. This paper will review the methodological approaches to model stone column numerically, both in two-dimensional and three-dimensional analyses. The numerical techniques and suitable constitutive model used in the studies will also be discussed. In addition, the validation methods conducted were to verify the numerical analysis conducted will be presented. This review paper also serves as a guide for junior engineers through the applicable procedures and considerations when constructing and running a two or three-dimensional numerical analysis while also citing numerous relevant references.

Equations of state and diagrams of two-dimensional liquid dusty plasmas

NASA Astrophysics Data System (ADS)

Feng, Yan; Lin, Wei; Li, Wei; Wang, Qiaoling

2016-09-01

Recently, the pressure of two-dimensional (2D) Yukawa liquids has been calculated from the simulations of isochores [Feng et al., J. Phys. D: Appl. Phys. 49, 235203 (2016)], which is applicable to 2D dusty plasmas. Thus, the equation of state for 2D strongly coupled liquid dusty plasmas is obtained. Isobars and isotherms of 2D liquid dusty plasmas are derived from this equation of state. For 2D liquid dusty plasmas, the surface corresponding to this equation of state has also been obtained in the 3D space of the pressure, the temperature, and the screening parameter which is related to the volume in the equilibrium state.

Color Constancy in Two-Dimensional and Three-Dimensional Scenes: Effects of Viewing Methods and Surface Texture

PubMed Central

Morimoto, Takuma; Mizokami, Yoko; Yaguchi, Hirohisa; Buck, Steven L.

2017-01-01

There has been debate about how and why color constancy may be better in three-dimensional (3-D) scenes than in two-dimensional (2-D) scenes. Although some studies have shown better color constancy for 3-D conditions, the role of specific cues remains unclear. In this study, we compared color constancy for a 3-D miniature room (a real scene consisting of actual objects) and 2-D still images of that room presented on a monitor using three viewing methods: binocular viewing, monocular viewing, and head movement. We found that color constancy was better for the 3-D room; however, color constancy for the 2-D image improved when the viewing method caused the scene to be perceived more like a 3-D scene. Separate measurements of the perceptual 3-D effect of each viewing method also supported these results. An additional experiment comparing a miniature room and its image with and without texture suggested that surface texture of scene objects contributes to color constancy. PMID:29238513

7-Hexagon Multifocal Electroretinography for an Objective Functional Assessment of the Macula in 14 Seconds.

PubMed

Schönbach, Etienne M; Chaikitmongkol, Voraporn; Annam, Rachel; McDonnell, Emma C; Wolfson, Yulia; Fletcher, Emily; Scholl, Hendrik P N

2017-01-01

We present the multifocal electroretinogram (mfERG) with a 7-hexagon array as an objective test of macular function that can be recorded in 14 s. We provide normal values and investigate its reproducibility and validity. Healthy participants underwent mfERG testing according to International Society for Clinical Electrophysiology of Vision (ISCEV) standards using the Espion Profile/D310 multifocal ERG system (Diagnosys, LLC, Lowell, MA, USA). One standard recording of a 61-hexagon array and 2 repeated recordings of a custom 7-hexagon array were obtained. A total of 13 subjects (mean age 46.9 years) were included. The median response densities were 12.5 nV/deg2 in the center and 5.2 nV/deg2 in the periphery. Intereye correlations were strong in both the center (ρCenter = 0.821; p < 0.0001) and the periphery (ρPeriphery = 0.862; p < 0.0001). Intraeye correlations were even stronger: ρCenter = 0.904 with p < 0.0001 and ρPeriphery = 0.955 with p < 0.0001. Bland-Altman plots demonstrated an acceptable retest mean difference in both the center and periphery, and narrow limits of agreement. We found strong correlations of the center (ρCenter = 0.826; p < 0.0001) and periphery (ρPeriphery = 0.848; p < 0.0001), with recordings obtained by the 61-hexagon method. The 7-hexagon mfERG provides reproducible results in agreement with results obtained according to the ISCEV standard. © 2017 S. Karger AG, Basel.

Cognitive Load and Attentional Demands during Objects' Position Change in Real and Digital Environments

ERIC Educational Resources Information Center

Zacharis, Georgios K.; Mikropoulos, Tassos Anastasios; Kalyvioti, Katerina

2016-01-01

Studies showed that two-dimensional (2D) and three-dimensional (3D) educational content contributes to learning. Although there were many studies with 3D stereoscopic learning environments, only a few studies reported on the differences between real, 2D, and 3D scenes, as far as cognitive load and attentional demands were concerned. We used…

Comparison of Two- and Three-Dimensional Methods for Analysis of Trunk Kinematic Variables in the Golf Swing.

PubMed

Smith, Aimée C; Roberts, Jonathan R; Wallace, Eric S; Kong, Pui; Forrester, Stephanie E

2016-02-01

Two-dimensional methods have been used to compute trunk kinematic variables (flexion/extension, lateral bend, axial rotation) and X-factor (difference in axial rotation between trunk and pelvis) during the golf swing. Recent X-factor studies advocated three-dimensional (3D) analysis due to the errors associated with two-dimensional (2D) methods, but this has not been investigated for all trunk kinematic variables. The purpose of this study was to compare trunk kinematic variables and X-factor calculated by 2D and 3D methods to examine how different approaches influenced their profiles during the swing. Trunk kinematic variables and X-factor were calculated for golfers from vectors projected onto the global laboratory planes and from 3D segment angles. Trunk kinematic variable profiles were similar in shape; however, there were statistically significant differences in trunk flexion (-6.5 ± 3.6°) at top of backswing and trunk right-side lateral bend (8.7 ± 2.9°) at impact. Differences between 2D and 3D X-factor (approximately 16°) could largely be explained by projection errors introduced to the 2D analysis through flexion and lateral bend of the trunk and pelvis segments. The results support the need to use a 3D method for kinematic data calculation to accurately analyze the golf swing.

Synthesis of three-dimensional reduced graphene oxide layer supported cobalt nanocrystals and their high catalytic activity in F-T CO2 hydrogenation.

PubMed

He, Fei; Niu, Na; Qu, Fengyu; Wei, Shuquan; Chen, Yujin; Gai, Shili; Gao, Peng; Wang, Yan; Yang, Piaoping

2013-09-21

The reduced graphene oxide (rGO) supported cobalt nanocrystals have been synthesized through an in situ crystal growth method using Co(acac)2 under solvothermal conditions by using DMF as the solvent. By carefully controlling the reaction temperature, the phase transition of the cobalt nanocrystals from the cubic phase to the hexagonal phase has been achieved. Moreover, the microscopic structure and morphology as well as the reduction process of the composite have been investigated in detail. It is found that oxygen-containing functional groups on the graphene oxide (GO) can greatly influence the formation process of the Co nanocrystals by binding the Co(2+) cations dissociated from the Co(acac)2 in the initial reaction solution at 220 °C, leading to the 3D reticular structure of the composite. Furthermore, this is the first attempt to use a Co/rGO composite as the catalyst in the F-T CO2 hydrogenation process. The catalysis testing results reveal that the as-synthesized 3D structured composite exhibits ideal catalytic activity and good stability, which may greatly extend the scope of applications for this kind of graphene-based metal hybrid material.

Four-dimensional \\mathcal{N} = 2 supersymmetric theory with boundary as a two-dimensional complex Toda theory

NASA Astrophysics Data System (ADS)

Luo, Yuan; Tan, Meng-Chwan; Vasko, Petr; Zhao, Qin

2017-05-01

We perform a series of dimensional reductions of the 6d, \\mathcal{N} = (2, 0) SCFT on S 2 × Σ × I × S 1 down to 2d on Σ. The reductions are performed in three steps: (i) a reduction on S 1 (accompanied by a topological twist along Σ) leading to a supersymmetric Yang-Mills theory on S 2 × Σ × I, (ii) a further reduction on S 2 resulting in a complex Chern-Simons theory defined on Σ × I, with the real part of the complex Chern-Simons level being zero, and the imaginary part being proportional to the ratio of the radii of S 2 and S 1, and (iii) a final reduction to the boundary modes of complex Chern-Simons theory with the Nahm pole boundary condition at both ends of the interval I, which gives rise to a complex Toda CFT on the Riemann surface Σ. As the reduction of the 6d theory on Σ would give rise to an \\mathcal{N} = 2 supersymmetric theory on S 2 × I × S 1, our results imply a 4d-2d duality between four-dimensional \\mathcal{N} = 2 supersymmetric theory with boundary and two-dimensional complex Toda theory.

Accelerating the discovery of hidden two-dimensional magnets using machine learning and first principle calculations

NASA Astrophysics Data System (ADS)

Miyazato, Itsuki; Tanaka, Yuzuru; Takahashi, Keisuke

2018-02-01

Two-dimensional (2D) magnets are explored in terms of data science and first principle calculations. Machine learning determines four descriptors for predicting the magnetic moments of 2D materials within reported 216 2D materials data. With the trained machine, 254 2D materials are predicted to have high magnetic moments. First principle calculations are performed to evaluate the predicted 254 2D materials where eight undiscovered stable 2D materials with high magnetic moments are revealed. The approach taken in this work indicates that undiscovered materials can be surfaced by utilizing data science and materials data, leading to an innovative way of discovering hidden materials.

Coherent backscattering enhancement in cavities. Highlights of the role of symmetry.

PubMed

Gallot, Thomas; Catheline, Stefan; Roux, Philippe

2011-04-01

Through experiments and simulations, the consequences of symmetry on coherent backscattering enhancement (CBE) are studied in cavities. Three main results are highlighted. First, the CBE outside the source is observed: (a) on a single symmetric point in a one-dimensional (1-D) cavity, in a disk and in a symmetric chaotic plate; (b) on three symmetric points in a two-dimensional (2-D) rectangle; and (c) on seven symmetric points in a three-dimensional (3-D) parallelepiped cavity. Second, the existence of enhanced intensity lines and planes in 2-D and 3-D simple-shape cavities is demonstrated. Third, it is shown how the anti-symmetry caused by the special boundary conditions is responsible for the existence of a coherent backscattering decrement with a dimensional dependence of R = (½)(d), with d = 1,2,3 as the dimensionality of the cavity.

3D coherent X-ray diffractive imaging of an Individual colloidal crystal grain

NASA Astrophysics Data System (ADS)

Shabalin, A.; Meijer, J.-M.; Sprung, M.; Petukhov, A. V.; Vartanyants, I. A.

Self-assembled colloidal crystals represent an important model system to study nucleation phenomena and solid-solid phase transitions. They are attractive for applications in photonics and sensorics. We present results of a coherent x-ray diffractive imaging experiment performed on a single colloidal crystal grain. The full three-dimensional (3D) reciprocal space map measured by an azimuthal rotational scan contained several orders of Bragg reflections together with the coherent interference signal between them. Applying the iterative phase retrieval approach, the 3D structure of the crystal grain was reconstructed and positions of individual colloidal particles were resolved. We identified an exact stacking sequence of hexagonal close-packed layers including planar and linear defects. Our results open up a breakthrough in applications of coherent x-ray diffraction for visualization of the inner 3D structure of different mesoscopic materials, such as photonic crystals. Present address: University of California - San Diego, USA.

From Flatland to Spaceland: Higher Dimensional Patterning with Two-Dimensional Materials.

PubMed

Chen, Po-Yen; Liu, Muchun; Wang, Zhongying; Hurt, Robert H; Wong, Ian Y

2017-06-01

The creation of three-dimensional (3D) structures from two-dimensional (2D) nanomaterial building blocks enables novel chemical, mechanical or physical functionalities that cannot be realized with planar thin films or in bulk materials. Here, we review the use of emerging 2D materials to create complex out-of-plane surface topographies and 3D material architectures. We focus on recent approaches that yield periodic textures or patterns, and present four techniques as case studies: (i) wrinkling and crumpling of planar sheets, (ii) encapsulation by crumpled nanosheet shells, (iii) origami folding and kirigami cutting to create programmed curvature, and (iv) 3D printing of 2D material suspensions. Work to date in this field has primarily used graphene and graphene oxide as the 2D building blocks, and we consider how these unconventional approaches may be extended to alternative 2D materials and their heterostructures. Taken together, these emerging patterning and texturing techniques represent an intriguing alternative to conventional materials synthesis and processing methods, and are expected to contribute to the development of new composites, stretchable electronics, energy storage devices, chemical barriers, and biomaterials. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Strain tuning of electronic properties of various dimension elemental tellurium with broken screw symmetry

NASA Astrophysics Data System (ADS)

Xue, Xiong-Xiong; Feng, Ye-Xin; Liao, Lei; Chen, Qin-Jun; Wang, Dan; Tang, Li-Ming; Chen, Keqiu

2018-03-01

We present a systematical study of atomic structures and electronic properties of various dimension tellurium (Te) with broken intrinsical screw symmetry by applying reasonable strain. It is demonstrated that (i) bulk trigonal Te has degenerate Weyl nodes around the H point near the Fermi energy, and this degeneracy will be broken by introducing the selenium (Se) atom through creating the inner unsymmetrical strain, instead of external shear strain. (ii) 2D structures of tetragonal Te (t-Te) and 1T-MoS2-like Te (1T-Te) show direct and indirect band gap, respectively. Under the uniform biaxial compressive (BC) strain, monolayer of t-Te shows the direct-to-indirect band gap transition, while 1T-Te monolayer has a band gap transition firstly from indirect to direct and then from direct to indirect. Their effective masses of hole and electron can be effectively tuned by BC strain. (iii) One-dimensional (1D) structures of single helix, triangular Te and hexagonal Te nanowires display the obvious quantum confinement effect on the band structure and different sensitivity to the effect of uniaxial compressive strain.

New cellular automaton model for magnetohydrodynamics

NASA Technical Reports Server (NTRS)

Chen, Hudong; Matthaeus, William H.

1987-01-01

A new type of two-dimensional cellular automation method is introduced for computation of magnetohydrodynamic fluid systems. Particle population is described by a 36-component tensor referred to a hexagonal lattice. By appropriate choice of the coefficients that control the modified streaming algorithm and the definition of the macroscopic fields, it is possible to compute both Lorentz-force and magnetic-induction effects. The method is local in the microscopic space and therefore suited to massively parallel computations.

(d -2 ) -Dimensional Edge States of Rotation Symmetry Protected Topological States

NASA Astrophysics Data System (ADS)

Song, Zhida; Fang, Zhong; Fang, Chen

2017-12-01

We study fourfold rotation-invariant gapped topological systems with time-reversal symmetry in two and three dimensions (d =2 , 3). We show that in both cases nontrivial topology is manifested by the presence of the (d -2 )-dimensional edge states, existing at a point in 2D or along a line in 3D. For fermion systems without interaction, the bulk topological invariants are given in terms of the Wannier centers of filled bands and can be readily calculated using a Fu-Kane-like formula when inversion symmetry is also present. The theory is extended to strongly interacting systems through the explicit construction of microscopic models having robust (d -2 )-dimensional edge states.

Quantum Computational Universality of the 2D Cai-Miyake-D"ur-Briegel Quantum State

NASA Astrophysics Data System (ADS)

Wei, Tzu-Chieh; Raussendorf, Robert; Kwek, Leong Chuan

2012-02-01

Universal quantum computation can be achieved by simply performing single-qubit measurements on a highly entangled resource state, such as cluster states. Cai, Miyake, D"ur, and Briegel recently constructed a ground state of a two-dimensional quantum magnet by combining multiple Affleck-Kennedy-Lieb-Tasaki quasichains of mixed spin-3/2 and spin-1/2 entities and by mapping pairs of neighboring spin-1/2 particles to individual spin-3/2 particles [Phys. Rev. A 82, 052309 (2010)]. They showed that this state enables universal quantum computation by constructing single- and two-qubit universal gates. Here, we give an alternative understanding of how this state gives rise to universal measurement-based quantum computation: by local operations, each quasichain can be converted to a one-dimensional cluster state and entangling gates between two neighboring logical qubits can be implemented by single-spin measurements. Furthermore, a two-dimensional cluster state can be distilled from the Cai-Miyake-D"ur-Briegel state.

Three-dimensional scene reconstruction from a two-dimensional image

NASA Astrophysics Data System (ADS)

Parkins, Franz; Jacobs, Eddie

2017-05-01

We propose and simulate a method of reconstructing a three-dimensional scene from a two-dimensional image for developing and augmenting world models for autonomous navigation. This is an extension of the Perspective-n-Point (PnP) method which uses a sampling of the 3D scene, 2D image point parings, and Random Sampling Consensus (RANSAC) to infer the pose of the object and produce a 3D mesh of the original scene. Using object recognition and segmentation, we simulate the implementation on a scene of 3D objects with an eye to implementation on embeddable hardware. The final solution will be deployed on the NVIDIA Tegra platform.

Intrinsic Dirac half-metal and quantum anomalous Hall phase in a hexagonal metal-oxide lattice

NASA Astrophysics Data System (ADS)

Zhang, Shou-juan; Zhang, Chang-wen; Zhang, Shu-feng; Ji, Wei-xiao; Li, Ping; Wang, Pei-ji; Li, Sheng-shi; Yan, Shi-shen

2017-11-01

The quantum anomalous Hall (QAH) effect has attracted extensive attention due to time-reversal symmetry broken by a staggered magnetic flux emerging from ferromagnetic ordering and spin-orbit coupling. However, the experimental observations of the QAH effect are still challenging due to its small nontrivial bulk gap. Here, based on density functional theory and Berry curvature calculations, we propose the realization of intrinsic QAH effect in two-dimensional hexagonal metal-oxide lattice, N b2O3 , which is characterized by the nonzero Chern number (C =1 ) and chiral edge states. Spin-polarized calculations indicate that it exhibits a Dirac half-metal feature with temperature as large as TC=392 K using spin-wave theory. When the spin-orbit coupling is switched on, N b2O3 becomes a QAH insulator. Notably, the nontrivial topology is robust against biaxial strain with its band gap reaching up to Eg=75 meV , which is far beyond room temperature. A tight-binding model is further constructed to understand the origin of nontrivially electronic properties. Our findings on the Dirac half-metal and room-temperature QAH effect in the N b2O3 lattice can serve as an ideal platform for developing future topotronics devices.

Dipeptide Structural Analysis Using Two-Dimensional NMR for the Undergraduate Advanced Laboratory

ERIC Educational Resources Information Center

Gonzalez, Elizabeth; Dolino, Drew; Schwartzenburg, Danielle; Steiger, Michelle A.

2015-01-01

A laboratory experiment was developed to introduce students in either an organic chemistry or biochemistry lab course to two-dimensional nuclear magnetic resonance (2D NMR) spectroscopy using simple biomolecules. The goal of this experiment is for students to understand and interpret the information provided by a 2D NMR spectrum. Students are…

Discrete elastic model for two-dimensional melting.

PubMed

Lansac, Yves; Glaser, Matthew A; Clark, Noel A

2006-04-01

We present a network model for the study of melting and liquid structure in two dimensions, the first in which the presence and energy of topological defects (dislocations and disclinations) and of geometrical defects (elemental voids) can be independently controlled. Interparticle interaction is via harmonic springs and control is achieved by Monte Carlo moves which springs can either be orientationally "flipped" between particles to generate topological defects, or can be "popped" in force-free shape, to generate geometrical defects. With the geometrical defects suppressed the transition to the liquid phase occurs via disclination unbinding, as described by the Kosterlitz-Thouless-Halperin-Nelson-Young model and found in soft potential two-dimensional (2D) systems, such as the dipole-dipole potential [H. H. von Grünberg, Phys. Rev. Lett. 93, 255703 (2004)]. By contrast, with topological defects suppressed, a disordering transition, the Glaser-Clark condensation of geometrical defects [M. A. Glaser and N. A. Clark, Adv. Chem. Phys. 83, 543 (1993); M. A. Glaser, (Springer-Verlag, Berlin, 1990), Vol. 52, p. 141], produces a state that accurately characterizes the local liquid structure and first-order melting observed in hard-potential 2D systems, such as hard disk and the Weeks-Chandler-Andersen (WCA) potentials (M. A. Glaser and co-workers, see above). Thus both the geometrical and topological defect systems play a role in melting. The present work introduces a system in which the relative roles of topological and geometrical defects and their interactions can be explored. We perform Monte Carlo simulations of this model in the isobaric-isothermal ensemble, and present the phase diagram as well as various thermodynamic, statistical, and structural quantities as a function of the relative populations of geometrical and topological defects. The model exhibits a rich phase behavior including hexagonal and square crystals, expanded crystal, dodecagonal quasicrystal, and isotropic liquid phases. In this system the geometrical defects effectively control the melting, reducing the solid-liquid transition temperature by a factor of relative to the topological-only case. The local structure of the dense liquid has been investigated and the results are compared to that from simulations of WCA systems.

High-definition resolution three-dimensional imaging systems in laparoscopic radical prostatectomy: randomized comparative study with high-definition resolution two-dimensional systems.

PubMed

Kinoshita, Hidefumi; Nakagawa, Ken; Usui, Yukio; Iwamura, Masatsugu; Ito, Akihiro; Miyajima, Akira; Hoshi, Akio; Arai, Yoichi; Baba, Shiro; Matsuda, Tadashi

2015-08-01

Three-dimensional (3D) imaging systems have been introduced worldwide for surgical instrumentation. A difficulty of laparoscopic surgery involves converting two-dimensional (2D) images into 3D images and depth perception rearrangement. 3D imaging may remove the need for depth perception rearrangement and therefore have clinical benefits. We conducted a multicenter, open-label, randomized trial to compare the surgical outcome of 3D-high-definition (HD) resolution and 2D-HD imaging in laparoscopic radical prostatectomy (LRP), in order to determine whether an LRP under HD resolution 3D imaging is superior to that under HD resolution 2D imaging in perioperative outcome, feasibility, and fatigue. One-hundred twenty-two patients were randomly assigned to a 2D or 3D group. The primary outcome was time to perform vesicourethral anastomosis (VUA), which is technically demanding and may include a number of technical difficulties considered in laparoscopic surgeries. VUA time was not significantly shorter in the 3D group (26.7 min, mean) compared with the 2D group (30.1 min, mean) (p = 0.11, Student's t test). However, experienced surgeons and 3D-HD imaging were independent predictors for shorter VUA times (p = 0.000, p = 0.014, multivariate logistic regression analysis). Total pneumoperitoneum time was not different. No conversion case from 3D to 2D or LRP to open RP was observed. Fatigue was evaluated by a simulation sickness questionnaire and critical flicker frequency. Results were not different between the two groups. Subjective feasibility and satisfaction scores were significantly higher in the 3D group. Using a 3D imaging system in LRP may have only limited advantages in decreasing operation times over 2D imaging systems. However, the 3D system increased surgical feasibility and decreased surgeons' effort levels without inducing significant fatigue.

User's Guide for ECAP2D: an Euler Unsteady Aerodynamic and Aeroelastic Analysis Program for Two Dimensional Oscillating Cascades, Version 1.0

NASA Technical Reports Server (NTRS)

Reddy, T. S. R.

1995-01-01

This guide describes the input data required for using ECAP2D (Euler Cascade Aeroelastic Program-Two Dimensional). ECAP2D can be used for steady or unsteady aerodynamic and aeroelastic analysis of two dimensional cascades. Euler equations are used to obtain aerodynamic forces. The structural dynamic equations are written for a rigid typical section undergoing pitching (torsion) and plunging (bending) motion. The solution methods include harmonic oscillation method, influence coefficient method, pulse response method, and time integration method. For harmonic oscillation method, example inputs and outputs are provided for pitching motion and plunging motion. For the rest of the methods, input and output for pitching motion only are given.

Vertical heterostructures of MoS2 and graphene nanoribbons grown by two-step chemical vapor deposition for high-gain photodetectors.

PubMed

Yunus, Rozan Mohamad; Endo, Hiroko; Tsuji, Masaharu; Ago, Hiroki

2015-10-14

Heterostructures of two-dimensional (2D) layered materials have attracted growing interest due to their unique properties and possible applications in electronics, photonics, and energy. Reduction of the dimensionality from 2D to one-dimensional (1D), such as graphene nanoribbons (GNRs), is also interesting due to the electron confinement effect and unique edge effects. Here, we demonstrate a bottom-up approach to grow vertical heterostructures of MoS2 and GNRs by a two-step chemical vapor deposition (CVD) method. Single-layer GNRs were first grown by ambient pressure CVD on an epitaxial Cu(100) film, followed by the second CVD process to grow MoS2 over the GNRs. The MoS2 layer was found to grow preferentially on the GNR surface, while the coverage could be further tuned by adjusting the growth conditions. The MoS2/GNR nanostructures show clear photosensitivity to visible light with an optical response much higher than that of a 2D MoS2/graphene heterostructure. The ability to grow a novel 1D heterostructure of layered materials by a bottom-up CVD approach will open up a new avenue to expand the dimensionality of the material synthesis and applications.

Macroscopic self-reorientation of interacting two-dimensional crystals

PubMed Central

Woods, C. R.; Withers, F.; Zhu, M. J.; Cao, Y.; Yu, G.; Kozikov, A.; Ben Shalom, M.; Morozov, S. V.; van Wijk, M. M.; Fasolino, A.; Katsnelson, M. I.; Watanabe, K.; Taniguchi, T.; Geim, A. K.; Mishchenko, A.; Novoselov, K. S.

2016-01-01

Microelectromechanical systems, which can be moved or rotated with nanometre precision, already find applications in such fields as radio-frequency electronics, micro-attenuators, sensors and many others. Especially interesting are those which allow fine control over the motion on the atomic scale because of self-alignment mechanisms and forces acting on the atomic level. Such machines can produce well-controlled movements as a reaction to small changes of the external parameters. Here we demonstrate that, for the system of graphene on hexagonal boron nitride, the interplay between the van der Waals and elastic energies results in graphene mechanically self-rotating towards the hexagonal boron nitride crystallographic directions. Such rotation is macroscopic (for graphene flakes of tens of micrometres the tangential movement can be on hundreds of nanometres) and can be used for reproducible manufacturing of aligned van der Waals heterostructures. PMID:26960435

Rational growth of Bi2S3 nanotubes from quasi-two-dimensional precursors.

PubMed

Ye, Changhui; Meng, Guowen; Jiang, Zhi; Wang, Yinhai; Wang, Guozhong; Zhang, Lide

2002-12-25

Synthesis of Bi2S3 nanotubes from rolling of the quasi-two-dimensional (2-D) layered precursor represents new progress in the synthetic approach and adds new members to the present inorganic fullerene family. These nanotubes display multiwalled structures that resemble that of a multiwalled carbon nanotube. The successful synthesis of Bi2S3 nanotubes highlights the feasibility of inorganic fullerene-like structures from other chemicals that possess layered crystalline structures, not only the well-known 2-D family, but possibly also those quasi-2-D members.

Differentiating two- from three-dimensional mental rotation training effects.

PubMed

Moreau, David

2013-01-01

Block videogame training has consistently demonstrated transfer effects to mental rotation tasks, yet how variations in training influence performance with different stimuli remains unclear. In this study, participants took mental rotation assessments before and after a 3-week training programme based on 2D or 3D block videogames. Assessments varied in terms of dimensionality (2D or 3D) and stimulus type (polygon or body). Increases in videogame scores throughout training were correlated with mental rotation improvements. In particular, 2D training led to improvements in 2D tasks, whereas 3D training led to improvements in both 2D and 3D tasks. This effect did not depend on stimulus type, demonstrating that training can transfer to different stimuli of identical dimensionality. Interestingly, traditional gender differences in 3D mental rotation tasks vanished after 3D videogame training, highlighting the malleability of mental rotation ability given adequate training. These findings emphasize the influence of dimensionality in transfer effects and offer promising perspectives to reduce differences in mental rotation via designed training programmes.

Application of Combined Two-Dimensional and Three-Dimensional Transvaginal Contrast Enhanced Ultrasound in the Diagnosis of Endometrial Carcinoma

PubMed Central

Zhou, Hui-li; Xiang, Hong; Duan, Li; Shahai, Gulinaer; Liu, Hui; Li, Xiang-hong; Mou, Rui-xue

2015-01-01

Objective. The goal of this study was to explore the clinical value of combining two-dimensional (2D) and three-dimensional (3D) transvaginal contrast-enhanced ultrasounds (CEUS) in diagnosis of endometrial carcinoma (EC). Methods. In this prospective diagnostic study, transvaginal 2D and 3D CEUS were performed on 68 patients with suspected EC, and the results of the obtained 2D-CEUS and 3D-CEUS images were compared with the gold standard for statistical analysis. Results. 2D-CEUS benign endometrial lesions showed the normal uterine perfusion phase while EC cases showed early arrival and early washout of the contrast agent and nonuniform enhancement. The 3D-CEUS images differed in central blood vessel manifestation, blood vessel shape, and vascular pattern between benign and malignant endometrial lesions (P < 0.05). Sensitivity, specificity, positive predictive value, negative predictive value, and accuracy of transvaginal 2D-CEUS and 2D-CEUS combined with 3D-CEUS for diagnosis of benign and malignant endometrial lesions were 76.9%, 73.8%, 64.5%, 83.8%, and 75.0% and 84.6%, 83.3%, 75.9%, 89.7%, and 83.8%, respectively. Conclusion. 3D-CEUS is a useful supplement to 2D-CEUS and can clearly reveal the angioarchitecture spatial relationships between vessels and depth of myometrial invasion in EC. The combined use of 2D and 3D-CEUS can offer direct, accurate, and comprehensive diagnosis of early EC. PMID:26090396

Directed Block Copolymer Assembly versus Electron Beam Lithography for Bit-Patterned Media with Areal Density of 1 Terabit/inch(2) and Beyond.

PubMed

Yang, Xiaomin; Wan, Lei; Xiao, Shuaigang; Xu, Yuan; Weller, Dieter K

2009-07-28

The directed self-assembly of block copolymer (BCP) offers a new route to perfect nanolithographic patterning at sub-50 nm length scale with molecular scale precision. We have explored the feasibility of using the BCP approach versus the conventional electron beam (e-beam) lithography to create highly dense dot patterns for bit-patterned media (BPM) applications. Cylinder-forming poly(styrene-b-methyl methacrylate) (PS-b-PMMA) directly self-assembled on a chemically prepatterned substrate. The nearly perfect hexagonal arrays of perpendicularly oriented cylindrical pores at a density of approximately 1 Terabit per square inch (Tb/in.(2)) are achieved over an arbitrarily large area. Considerable gains in the BCP process are observed relative to the conventional e-beam lithography in terms of the dot size variation, the placement accuracy, the pattern uniformity, and the exposure latitude. The maximum dimensional latitude in the cylinder-forming BCP patterns and the maximum skew angle that the BCP can tolerate have been investigated for the first time. The dimensional latitude restricts the formation of more than one lattice configuration in certain ranges. More defects in BCP patterns are observed when using low molecular weight BCP materials or on non-hexagonal prepatterns due to the dimensional latitude restriction. Finally, the limitations and challenges in the BCP approach that are associated with BPM applications will be briefly discussed.

Differentiating Fragmentation Pathways of Cholesterol by Two-Dimensional Fourier Transform Ion Cyclotron Resonance Mass Spectrometry.

PubMed

van Agthoven, Maria A; Barrow, Mark P; Chiron, Lionel; Coutouly, Marie-Aude; Kilgour, David; Wootton, Christopher A; Wei, Juan; Soulby, Andrew; Delsuc, Marc-André; Rolando, Christian; O'Connor, Peter B

2015-12-01

Two-dimensional Fourier transform ion cyclotron resonance mass spectrometry is a data-independent analytical method that records the fragmentation patterns of all the compounds in a sample. This study shows the implementation of atmospheric pressure photoionization with two-dimensional (2D) Fourier transform ion cyclotron resonance mass spectrometry. In the resulting 2D mass spectrum, the fragmentation patterns of the radical and protonated species from cholesterol are differentiated. This study shows the use of fragment ion lines, precursor ion lines, and neutral loss lines in the 2D mass spectrum to determine fragmentation mechanisms of known compounds and to gain information on unknown ion species in the spectrum. In concert with high resolution mass spectrometry, 2D Fourier transform ion cyclotron resonance mass spectrometry can be a useful tool for the structural analysis of small molecules. Graphical Abstract ᅟ.

Two-Dimensional Micro-/Nanoradian Angle Generator with High Resolution and Repeatability Based on Piezo-Driven Double-Axis Flexure Hinge and Three Capacitive Sensors.

PubMed

Tan, Xinran; Zhu, Fan; Wang, Chao; Yu, Yang; Shi, Jian; Qi, Xue; Yuan, Feng; Tan, Jiubin

2017-11-19

This study presents a two-dimensional micro-/nanoradian angle generator (2D-MNAG) that achieves high angular displacement resolution and repeatability using a piezo-driven flexure hinge for two-dimensional deflections and three capacitive sensors for output angle monitoring and feedback control. The principal error of the capacitive sensor for precision microangle measurement is analyzed and compensated for; so as to achieve a high angle output resolution of 10 nrad (0.002 arcsec) and positioning repeatability of 120 nrad (0.024 arcsec) over a large angular range of ±4363 μrad (±900 arcsec) for the 2D-MNAG. The impact of each error component, together with the synthetic error of the 2D-MNAG after principal error compensation are determined using Monte Carlo simulation for further improvement of the 2D-MNAG.

Two-Dimensional Micro-/Nanoradian Angle Generator with High Resolution and Repeatability Based on Piezo-Driven Double-Axis Flexure Hinge and Three Capacitive Sensors

PubMed Central

Tan, Xinran; Zhu, Fan; Wang, Chao; Yu, Yang; Shi, Jian; Qi, Xue; Yuan, Feng; Tan, Jiubin

2017-01-01

This study presents a two-dimensional micro-/nanoradian angle generator (2D-MNAG) that achieves high angular displacement resolution and repeatability using a piezo-driven flexure hinge for two-dimensional deflections and three capacitive sensors for output angle monitoring and feedback control. The principal error of the capacitive sensor for precision microangle measurement is analyzed and compensated for; so as to achieve a high angle output resolution of 10 nrad (0.002 arcsec) and positioning repeatability of 120 nrad (0.024 arcsec) over a large angular range of ±4363 μrad (±900 arcsec) for the 2D-MNAG. The impact of each error component, together with the synthetic error of the 2D-MNAG after principal error compensation are determined using Monte Carlo simulation for further improvement of the 2D-MNAG. PMID:29156595

Two-dimensional topological superconducting phases emerged from d-wave superconductors in proximity to antiferromagnets

NASA Astrophysics Data System (ADS)

Zhu, Guo-Yi; Wang, Ziqiang; Zhang, Guang-Ming

2017-05-01

Motivated by the recent observations of nodeless superconductivity in the monolayer CuO2 grown on the Bi2Sr2CaCu2O8+δ substrates, we study the two-dimensional superconducting (SC) phases described by the two-dimensional t\\text-J model in proximity to an antiferromagnetic (AF) insulator. We found that i) the nodal d-wave SC state can be driven via a continuous transition into a nodeless d-wave pairing state by the proximity-induced AF field. ii) The energetically favorable pairing states in the strong field regime have extended s-wave symmetry and can be nodal or nodeless. iii) Between the pure d-wave and s-wave paired phases, there emerge two topologically distinct SC phases with (s+\\text{i}d) symmetry, i.e., the weak and strong pairing phases, and the weak pairing phase is found to be a Z 2 topological superconductor protected by valley symmetry, exhibiting robust gapless nonchiral edge modes. These findings strongly suggest that the high-T c superconductors in proximity to antiferromagnets can realize fully gapped symmetry-protected topological SC.

Study of optical design of three-dimensional digital ophthalmoscopes.

PubMed

Fang, Yi-Chin; Yen, Chih-Ta; Chu, Chin-Hsien

2015-10-01

This study primarily involves using optical zoom structures to design a three-dimensional (3D) human-eye optical sensory system with infrared and visible light. According to experimental data on two-dimensional (2D) and 3D images, human-eye recognition of 3D images is substantially higher (approximately 13.182%) than that of 2D images. Thus, 3D images are more effective than 2D images when they are used at work or in high-recognition devices. In the optical system design, infrared and visible light wavebands were incorporated as light sources to perform simulations. The results can be used to facilitate the design of optical systems suitable for 3D digital ophthalmoscopes.

A two dimensional finite difference time domain analysis of the quiet zone fields of an anechoic chamber

NASA Technical Reports Server (NTRS)

Ryan, Deirdre A.; Luebbers, Raymond J.; Nguyen, Truong X.; Kunz, Karl S.; Steich, David J.

1992-01-01

Prediction of anechoic chamber performance is a difficult problem. Electromagnetic anechoic chambers exist for a wide range of frequencies but are typically very large when measured in wavelengths. Three dimensional finite difference time domain (FDTD) modeling of anechoic chambers is possible with current computers but at frequencies lower than most chamber design frequencies. However, two dimensional FDTD (2D-FTD) modeling enables much greater detail at higher frequencies and offers significant insight into compact anechoic chamber design and performance. A major subsystem of an anechoic chamber for which computational electromagnetic analyses exist is the reflector. First, an analysis of the quiet zone fields of a low frequency anechoic chamber produced by a uniform source and a reflector in two dimensions using the FDTD method is presented. The 2D-FDTD results are compared with results from a three dimensional corrected physical optics calculation and show good agreement. Next, a directional source is substituted for the uniform radiator. Finally, a two dimensional anechoic chamber geometry, including absorbing materials, is considered, and the 2D-FDTD results for these geometries appear reasonable.

Measuring the order in ordered porous arrays: can bees outperform humans?

NASA Astrophysics Data System (ADS)

Kaatz, F. H.

2006-08-01

A method that explains how to quantify the amount of order in “ordered” and “highly ordered” porous arrays is derived. Ordered arrays from bee honeycomb and several from the general field of nanoscience are compared. Accurate measures of the order in porous arrays are made using the discrete radial distribution function (RDF). Nanoporous anodized aluminum oxide (AAO), hexagonal arrays from functional materials, hexagonal arrays from nanosphere lithography, and square arrays defined by interference lithography (all taken from the literature) are compared to two-dimensional model systems. These arrays have a range of pore diameters from ˜60 to 180 nm. An order parameter, OP 3 , is defined to evaluate the total order in a given array such that an ideal network has the value of 1. When we compare RDFs of man-made arrays with that of our honeycomb (pore diameter ˜5.89 mm), a locally grown version made by Apis mellifera without the use of foundation comb, we find OP 3 =0.399 for the honeycomb and OP 3 =0.572 for man’s best hexagonal array. The nearest neighbor peaks range from 4.65 for the honeycomb to 5.77 for man’s best hexagonal array, while the ideal hexagonal array has an average of 5.93 nearest neighbors. Ordered arrays are now becoming quite common in nanostructured science, while bee honeycombs were studied for millennia. This paper describes the first method to quantify the order found in these arrays with a simple yet elegant procedure that provides a precise measurement of the order in one array compared to other arrays.

Liquid phase deposition synthesis of hexagonal molybdenum trioxide thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deki, Shigehito; Beleke, Alexis Bienvenu; Kotani, Yuki

2009-09-15

Hexagonal molybdenum trioxide thin films with good crystallinity and high purity have been fabricated by the liquid phase deposition (LPD) technique using molybdic acid (H{sub 2}MoO{sub 4}) dissolved in 2.82% hydrofluoric acid (HF) and H{sub 3}BO{sub 3} as precursors. The crystal was found to belong to a hexagonal hydrate system MoO{sub 3}.nH{sub 2}O (napprox0.56). The unit cell lattice parameters are a=10.651 A, c=3.725 A and V=365.997 A{sup 3}. Scanning electron microscope (SEM) images of the as-deposited samples showed well-shaped hexagonal rods nuclei that grew and where the amount increased with increase in reaction time. X-ray photon electron spectroscopy (XPS) spectramore » showed a Gaussian shape of the doublet of Mo 3d core level, indicating the presence of Mo{sup 6+} oxidation state in the deposited films. The deposited films exhibited an electrochromic behavior by lithium intercalation and deintercalation, which resulted in coloration and bleaching of the film. Upon dehydration at about 450 deg. C, the hexagonal MoO{sub 3}.nH{sub 2}O was transformed into the thermodynamically stable orthorhombic phase. - Abstract: SEM photograph of typical h-MoO{sub 3}.nH{sub 2}O thin film nuclei obtained after 36 h at 40 deg. C by the LPD method. Display Omitted« less

Two-dimensional wavelet transform for reliability-guided phase unwrapping in optical fringe pattern analysis.

PubMed

Li, Sikun; Wang, Xiangzhao; Su, Xianyu; Tang, Feng

2012-04-20

This paper theoretically discusses modulus of two-dimensional (2D) wavelet transform (WT) coefficients, calculated by using two frequently used 2D daughter wavelet definitions, in an optical fringe pattern analysis. The discussion shows that neither is good enough to represent the reliability of the phase data. The differences between the two frequently used 2D daughter wavelet definitions in the performance of 2D WT also are discussed. We propose a new 2D daughter wavelet definition for reliability-guided phase unwrapping of optical fringe pattern. The modulus of the advanced 2D WT coefficients, obtained by using a daughter wavelet under this new daughter wavelet definition, includes not only modulation information but also local frequency information of the deformed fringe pattern. Therefore, it can be treated as a good parameter that represents the reliability of the retrieved phase data. Computer simulation and experimentation show the validity of the proposed method.

Visuospatial Attention in Children with Autism Spectrum Disorder: A Comparison between 2-D and 3-D Environments

ERIC Educational Resources Information Center

Ip, Horace H. S.; Lai, Candy Hoi-Yan; Wong, Simpson W. L.; Tsui, Jenny K. Y.; Li, Richard Chen; Lau, Kate Shuk-Ying; Chan, Dorothy F. Y.

2017-01-01

Previous research has illustrated the unique benefits of three-dimensional (3-D) Virtual Reality (VR) technology in Autism Spectrum Disorder (ASD) children. This study examined the use of 3-D VR technology as an assessment tool in ASD children, and further compared its use to two-dimensional (2-D) tasks. Additionally, we aimed to examine…

Overestimation of heights in virtual reality is influenced more by perceived distal size than by the 2-D versus 3-D dimensionality of the display.

PubMed

Dixon, Melissa W; Proffitt, Dennis R

2002-01-01

One important aspect of the pictorial representation of a scene is the depiction of object proportions. Yang, Dixon, and Proffitt (1999 Perception 28 445-467) recently reported that the magnitude of the vertical-horizontal illusion was greater for vertical extents presented in three-dimensional (3-D) environments compared to two-dimensional (2-D) displays. However, because all of the 3-D environments were large and all of the 2-D displays were small, the question remains whether the observed magnitude differences were due solely to the dimensionality of the displays (2-D versus 3-D) or to the perceived distal size of the extents (small versus large). We investigated this question by comparing observers' judgments of vertical relative to horizontal extents on a large but 2-D display compared to the large 3-D and the small 2-D displays used by Yang et al (1999). The results confirmed that the magnitude differences for vertical overestimation between display media are influenced more by the perceived distal object size rather than by the dimensionality of the display.

Overestimation of heights in virtual reality is influenced more by perceived distal size than by the 2-D versus 3-D dimensionality of the display

NASA Technical Reports Server (NTRS)

Dixon, Melissa W.; Proffitt, Dennis R.; Kaiser, M. K. (Principal Investigator)

2002-01-01

One important aspect of the pictorial representation of a scene is the depiction of object proportions. Yang, Dixon, and Proffitt (1999 Perception 28 445-467) recently reported that the magnitude of the vertical-horizontal illusion was greater for vertical extents presented in three-dimensional (3-D) environments compared to two-dimensional (2-D) displays. However, because all of the 3-D environments were large and all of the 2-D displays were small, the question remains whether the observed magnitude differences were due solely to the dimensionality of the displays (2-D versus 3-D) or to the perceived distal size of the extents (small versus large). We investigated this question by comparing observers' judgments of vertical relative to horizontal extents on a large but 2-D display compared to the large 3-D and the small 2-D displays used by Yang et al (1999). The results confirmed that the magnitude differences for vertical overestimation between display media are influenced more by the perceived distal object size rather than by the dimensionality of the display.

Phase transitions and dielectric properties of a hexagonal ABX3 perovskite-type organic-inorganic hybrid compound: [C3H4NS][CdBr3].

PubMed

Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen

2015-06-21

A new organic-inorganic hexagonal perovskite-type compound with the formula ABX3, thiazolium tribromocadmate(ii) (1), in which thiazolium cations are situated in the space between the one-dimensional chains of face-sharing CdBr(6) octahedra, has been successfully synthesized. Systematic characterizations including differential scanning calorimetry measurements, variable-temperature structural analyses, and dielectric measurements reveal that it undergoes two structural phase transitions, at 180 and 146 K. These phase transitions are accompanied by remarkable dielectric relaxation and anisotropy. The thiazolium cations remain orientationally disordered during the two phase transition processes. The origins of the phase transitions at 180 and 146 K are ascribed to the slowing down and reorientation of the molecular motions of the cations, respectively. Moreover, the dielectric relaxation process well described by the Cole-Cole equation and the prominent dielectric anisotropy are also connected with the dynamics of the dipolar thiazolium cations.

Two-dimensional membrane as elastic shell with proof on the folds revealed by three-dimensional atomic mapping

NASA Astrophysics Data System (ADS)

Zhao, Jiong; Deng, Qingming; Ly, Thuc Hue; Han, Gang Hee; Sandeep, Gorantla; Rümmeli, Mark H.

2015-11-01

The great application potential for two-dimensional (2D) membranes (MoS2, WSe2, graphene and so on) aroused much effort to understand their fundamental mechanical properties. The out-of-plane bending rigidity is the key factor that controls the membrane morphology under external fields. Herein we provide an easy method to reconstruct the 3D structures of the folded edges of these 2D membranes on the atomic scale, using high-resolution (S)TEM images. After quantitative comparison with continuum mechanics shell model, it is verified that the bending behaviour of the studied 2D materials can be well explained by the linear elastic shell model. And the bending rigidities can thus be derived by fitting with our experimental results. Recall almost only theoretical approaches can access the bending properties of these 2D membranes before, now a new experimental method to measure the bending rigidity of such flexible and atomic thick 2D membranes is proposed.

Effectiveness of three-dimensional digital animation in teaching human anatomy in an authentic classroom context.

PubMed

Hoyek, Nady; Collet, Christian; Di Rienzo, Franck; De Almeida, Mickael; Guillot, Aymeric

2014-01-01

Three-dimensional (3D) digital animations were used to teach the human musculoskeletal system to first year kinesiology students. The purpose of this study was to assess the effectiveness of this method by comparing two groups from two different academic years during two of their official required anatomy examinations (trunk and upper limb assessments). During the upper limb section, the teacher used two-dimensional (2D) drawings embedded into PowerPoint(®) slides and 3D digital animations for the first group (2D group) and the second (3D group), respectively. The same 3D digital animations were used for both groups during the trunk section. The only difference between the two was the multimedia used to present the information during the upper limb section. The 2D group surprisingly outperformed the 3D group on the trunk assessment. On the upper limb assessment no difference in the scores on the overall anatomy examination was found. However, the 3D group outperformed the 2D group in questions requiring spatial ability. Data supported that 3D digital animations were effective instructional multimedia material tools in teaching human anatomy especially in recalling anatomical knowledge requiring spatial ability. The importance of evaluating the effectiveness of a new instructional material outside laboratory environment (e.g., after a complete semester and on official examinations) was discussed. © 2014 American Association of Anatomists.

Reappraisal of Pediatric Diastatic Skull Fractures in the 3-Dimensional CT Era: Clinical Characteristics and Comparison of Diagnostic Accuracy of Simple Skull X-Ray, 2-Dimensional CT, and 3-Dimensional CT.

PubMed

Sim, Sook Young; Kim, Hyun Gi; Yoon, Soo Han; Choi, Jong Wook; Cho, Sung Min; Choi, Mi Sun

2017-12-01

Diastatic skull fractures (DSFs) in children are difficult to detect in skull radiographs before they develop into growing skull fractures; therefore, little information is available on this topic. However, recent advances in 3-dimensional (3D) computed tomography (CT) imaging technology have enabled more accurate diagnoses of almost all forms of skull fracture. The present study was undertaken to document the clinical characteristics of DSFs in children and to determine whether 3D CT enhances diagnostic accuracy. Two hundred and ninety-two children younger than 12 years with skull fractures underwent simple skull radiography, 2-dimensional (2D) CT, and 3DCT. Results were compared with respect to fracture type, location, associated lesions, and accuracy of diagnosis. DSFs were diagnosed in 44 (15.7%) of children with skull fractures. Twenty-two patients had DSFs only, and the other 22 had DSFs combined with compound or mixed skull fractures. The most common fracture locations were the occipitomastoid (25%) and lambdoid (15.9%). Accompanying lesions consisted of subgaleal hemorrhages (42/44), epidural hemorrhages (32/44), pneumocephalus (17/44), and subdural hemorrhages (3/44). A total of 17 surgical procedures were performed on 15 of the 44 patients. Fourteen and 19 patients were confirmed to have DSFs by skull radiography and 2D CT, respectively, but 3D CT detected DSFs in 43 of the 44 children (P < 0.001). 3D CT was found to be markedly superior to skull radiography or 2D CT for detecting DSFs. This finding indicates that 3D CT should be used routinely rather than 2D CT for the assessment of pediatric head trauma. Copyright © 2017 Elsevier Inc. All rights reserved.

Phonon thermal conduction in novel 2D materials.

PubMed

Xu, Xiangfan; Chen, Jie; Li, Baowen

2016-12-07

Recently, there has been increasing interest in phonon thermal transport in low-dimensional materials, due to the crucial importance of dissipating and managing heat in micro- and nano-electronic devices. Significant progress has been achieved for one-dimensional (1D) systems, both theoretically and experimentally. However, the study of heat conduction in two-dimensional (2D) systems is still in its infancy due to the limited availability of 2D materials and the technical challenges of fabricating suspended samples that are suitable for thermal measurements. In this review, we outline different experimental techniques and theoretical approaches for phonon thermal transport in 2D materials, discuss the problems and challenges of phonon thermal transport measurements and provide a comparison between existing experimental data. Special attention will be given to the effects of size, dimensionality, anisotropy and mode contributions in novel 2D systems, including graphene, boron nitride, MoS 2 , black phosphorous and silicene.

Getting out of Flatland

ERIC Educational Resources Information Center

Popelka, Susan R.; Langlois, Joshua

2018-01-01

"Flatland: A Romance of Many Dimensions" is an 1884 novella written by English schoolmaster Edwin Abbott. He describes what it would be like to live in a two-dimensional (2D) world--Flatland. It is fascinating reading that underscores the challenge of teaching three-dimensional (3D) mathematics using 2D tools. Real-world applications of…

A 2.5-D Representation of the Human Hand

ERIC Educational Resources Information Center

Longo, Matthew R.; Haggard, Patrick

2012-01-01

Primary somatosensory maps in the brain represent the body as a discontinuous, fragmented set of two-dimensional (2-D) skin regions. We nevertheless experience our body as a coherent three-dimensional (3-D) volumetric object. The links between these different aspects of body representation, however, remain poorly understood. Perceiving the body's…

Two-dimensional bismuth-rich nanosheets through the evaporative thinning of Se-doped Bi2Te3

NASA Astrophysics Data System (ADS)

Hanson, Eve D.; Shi, Fengyuan; Chasapis, Thomas C.; Kanatzidis, Mercouri G.; Dravid, Vinayak P.

2016-02-01

High bulk conductance obscures the behavior of surface states in the prototypical topological insulators Bi2Te3 and Bi2Se3. However, ternary phases of Bi2Te3-ySey with balanced donor and acceptor levels may lead to large bulk resistivity, allowing for the observation of the surface states. Additionally, the contribution of the bulk conductance may be further suppressed by nanostructuring, increasing the surface-to-volume ratio. Herein we report the synthesis of a ternary tetradymite newly confined to two dimensions. Ultra-thin large-area stable nanosheets were fabricated via evaporative thinning of a Bi2Te2.9Se0.1 original phase. Owing to vapor pressure differences, a compositional shift to a final Bi-rich phase is observed. The Se/Te ratio of the nanosheet increases tenfold, due to the higher stability of the Bi-Se bonds. Hexagonal crystal symmetry is maintained despite dramatic changes in thickness and stoichiometry. Given that small variations in stoichiometry of this ternary system can incur large changes in carrier concentration and switch majority carrier type, the large compositional shifts found in this case imply that compositional analysis of similar CVD and PVD grown materials is critical to correctly interpret topological insulator performance. Further, the characterization techniques deployed, including STEM-EDS and ToF-SIMS, serve as a case study in determining such compositional shifts in two-dimensional form.

Optical Studies of Excitonic Effects at Two-Dimensional Nanostructure Interfaces

NASA Astrophysics Data System (ADS)

Ajayi, Obafunso Ademilolu

Atomically thin two-dimensional nanomaterials such as graphene and transition metal dichalcogenides (TMDCs) have seen a rapid growth of exploration since the isolation of monolayer graphene. These materials provide a rich field of study for physics and optoelectronics applications. Many applications seek to combine a two dimensional (2D) material with another nanomaterial, either another two dimensional material or a zero (0D) or one dimensional (1D) material. The work in this thesis explores the consequences of these interactions from 0D to 2D. We begin in Chapter 2 with a study of energy transfer at 0D-2D interfaces with quantum dots and graphene. In our work we seek to maximize the rate of energy transfer by reducing the distance between the materials. We observe an interplay with the distance-dependence and surface effects from our halogen terminated quantum dots that affect our observed energy transfer. In Chapter 3 we study supercapacitance in composite graphene oxide-carbon nanotube electrodes. At this 2D-1D interface we observe a compounding effect between graphene oxide and carbon nanotubes. Carbon nanotubes increase the accessible surface area of the supercapacitors and improve conductivity by forming a conductive pathway through electrodes. In Chapter 4 we investigate effective means of improving sample quality in TMDCs and discover the importance of the monolayer interface. We observe a drastic improvement in photoluminescence when encapsulating our TMDCs with Boron Nitride. We measure spectral linewidths approaching the intrinsic limit due to this 2D-2D interface. We also effectively reduce excess charge and thus the trion-exciton ratio in our samples through substrate surface passivation. In Chapter 5 we briefly discuss our investigations on chemical doping, heterostructures and interlayer decoupling in ReS2. We observe an increase in intensity for p-doped MoS2 samples. We investigated the charge transfer exciton previously identified in heterostructures. Spectral observation of this interlayer exciton remained elusive in our work but provided the motivation for our work in Chapter 4. We also discuss our preliminary results on interlayer decoupling in ReS2.

Phase coexistence and magnetic behavior in the low-dimensional hexagonal cobaltites BaxA1-xCoO3-δ (A = Mg or Ca and 0 ⩽ x ⩽ 0.20)

NASA Astrophysics Data System (ADS)

Oliveira, M. P.; Mercena, S. G.; Meneses, C. T.; Jesus, C. B. R.; Pagliuso, P. G.; Duque, J. G. S.

2018-04-01

In this work, we report on X-ray diffraction and magnetization measurements carried out in the low-dimensional hexagonal cobaltites BaxA1-xCoO3-δ (A = Mg or Ca, 0 ⩽ x ⩽ 0.20 and δ = 0 or 0.4). Polycrystalline samples have been synthesized by solid-state reaction. The Rietveld refinements of the X-ray diffraction patterns show clearly a phase coexistence of both BaCoO2.6 and BaCoO3 hexagonal polytype structures (space group: P63/mmc), which is dependent on both the dopant ion and doping level. At low temperatures (T < 50K), the ZFC-FC data recorded at H = 1 kOe for Ca-doped (x < 0.15) and Ba0.80Mg0.20CoO3-δ samples present a broad peak and strong thermal hysteresis. Besides, a second anomaly around room temperature is also observed in susceptibility curves for all samples. Further increasing in the Ca-doping produces a continuous decreasing of magnetization and for the samples with x > 0.10 the low temperature hysteresis is not observed anymore. The field-dependence of ZFC-FC curves taken for the sample grown with x = 0 show a displacement of the peak position into low temperature region. Except for the sample grown with x = 0.20, the MvsH loops taken at T = 2 K show multiple steps in the field region ranging - 15 ⩽ H ⩽ 15 kOe . Finally, the saturation magnetization values are consistent with a low-spin state for the Co2+ or Co4+ ions.

Transfer of Learning between 2D and 3D Sources during Infancy: Informing Theory and Practice

ERIC Educational Resources Information Center

Barr, Rachel

2010-01-01

The ability to transfer learning across contexts is an adaptive skill that develops rapidly during early childhood. Learning from television is a specific instance of transfer of learning between a two-dimensional (2D) representation and a three-dimensional (3D) object. Understanding the conditions under which young children might accomplish this…

2D and 3D Traveling Salesman Problem

ERIC Educational Resources Information Center

Haxhimusa, Yll; Carpenter, Edward; Catrambone, Joseph; Foldes, David; Stefanov, Emil; Arns, Laura; Pizlo, Zygmunt

2011-01-01

When a two-dimensional (2D) traveling salesman problem (TSP) is presented on a computer screen, human subjects can produce near-optimal tours in linear time. In this study we tested human performance on a real and virtual floor, as well as in a three-dimensional (3D) virtual space. Human performance on the real floor is as good as that on a…

3D annotation and manipulation of medical anatomical structures

NASA Astrophysics Data System (ADS)

Vitanovski, Dime; Schaller, Christian; Hahn, Dieter; Daum, Volker; Hornegger, Joachim

2009-02-01

Although the medical scanners are rapidly moving towards a three-dimensional paradigm, the manipulation and annotation/labeling of the acquired data is still performed in a standard 2D environment. Editing and annotation of three-dimensional medical structures is currently a complex task and rather time-consuming, as it is carried out in 2D projections of the original object. A major problem in 2D annotation is the depth ambiguity, which requires 3D landmarks to be identified and localized in at least two of the cutting planes. Operating directly in a three-dimensional space enables the implicit consideration of the full 3D local context, which significantly increases accuracy and speed. A three-dimensional environment is as well more natural optimizing the user's comfort and acceptance. The 3D annotation environment requires the three-dimensional manipulation device and display. By means of two novel and advanced technologies, Wii Nintendo Controller and Philips 3D WoWvx display, we define an appropriate 3D annotation tool and a suitable 3D visualization monitor. We define non-coplanar setting of four Infrared LEDs with a known and exact position, which are tracked by the Wii and from which we compute the pose of the device by applying a standard pose estimation algorithm. The novel 3D renderer developed by Philips uses either the Z-value of a 3D volume, or it computes the depth information out of a 2D image, to provide a real 3D experience without having some special glasses. Within this paper we present a new framework for manipulation and annotation of medical landmarks directly in three-dimensional volume.

NASA-VOF3D: A three-dimensional computer program for incompressible flows with free surfaces

NASA Astrophysics Data System (ADS)

Torrey, M. D.; Mjolsness, R. C.; Stein, L. R.

1987-07-01

Presented is the NASA-VOF3D three-dimensional, transient, free-surface hydrodynamics program. This three-dimensional extension of NASA-VOF2D will, in principle, permit treatment in full three-dimensional generality of the wide variety of applications that could be treated by NASA-VOF2D only within the two-dimensional idealization. In particular, it, like NASA-VOF2D, is specifically designed to calculate confined flows in a low g environment. The code is presently restricted to cylindrical geometry. The code is based on the fractional volume-of-fluid method and allows multiple free surfaces with surface tension and wall adhesion. It also has a partial cell treatment that allows curved boundaries and internal obstacles. This report provides a brief discussion of the numerical method, a code listing, and some sample problems.

Chirality Made Simple: A 1 - and 2-Dimensional Introduction to Stereochemistry

ERIC Educational Resources Information Center

Gawley, Robert E.

2005-01-01

The introduction of chirality in one and two dimensions, along with the concepts of internal and external reflection, can be combined with concepts familiar to all students. Once familiar with 1-Dimensional and 2-Dimensional chirality, the same concepts can be extended to 3-Dimensional and by projecting 3-D back to two, it is possible to interpret…

Shading of a computer-generated hologram by zone plate modulation.

PubMed

Kurihara, Takayuki; Takaki, Yasuhiro

2012-02-13

We propose a hologram calculation technique that enables reconstructing a shaded three-dimensional (3D) image. The amplitude distributions of zone plates, which generate the object points that constitute a 3D object, were two-dimensionally modulated. Two-dimensional (2D) amplitude modulation was determined on the basis of the Phong reflection model developed for computer graphics, which considers the specular, diffuse, and ambient reflection light components. The 2D amplitude modulation added variable and constant modulations: the former controlled the specular light component and the latter controlled the diffuse and ambient components. The proposed calculation technique was experimentally verified. The reconstructed image showed specular reflection that varied depending on the viewing position.

Phase relationships in the BaO-Ga2O3-Ta2O5 system and the structure of Ba6Ga21TaO40.

PubMed

Cao, Jiang; Yu, Xiaodi; Kuang, Xiaojun; Su, Qiang

2012-07-16

Phase relationships in the BaO-Ga(2)O(3)-Ta(2)O(5) ternary system at 1200 °C were determined. The A(6)B(10)O(30) tetragonal tungsten bronze (TTB) related solution in the BaO-Ta(2)O(5) subsystem dissolved up to ~11 mol % Ga(2)O(3), forming a ternary trapezoid-shaped TTB-related solid solution region defined by the BaTa(2)O(6), Ba(1.1)Ta(5)O(13.6), Ba(1.58)Ga(0.92)Ta(4.08)O(13.16), and Ba(6)GaTa(9)O(30) compositions in the BaO-Ga(2)O(3)-Ta(2)O(5) system. Two ternary phases Ba(6)Ga(21)TaO(40) and eight-layer twinned hexagonal perovskite solid solution Ba(8)Ga(4-x)Ta(4+0.6x)O(24) were confirmed in the BaO-Ga(2)O(3)-Ta(2)O(5) system. Ba(6)Ga(21)TaO(40) crystallized in a monoclinic cell of a = 15.9130(2) Å, b = 11.7309(1) Å, c = 5.13593(6) Å, β = 107.7893(9)°, and Z = 1 in space group C2/m. The structure of Ba(6)Ga(21)TaO(40) was solved by the charge flipping method, and it represents a three-dimensional (3D) mixed GaO(4) tetrahedral and GaO(6)/TaO(6) octahedral framework, forming mixed 1D 5/6-fold tunnels that accommodate the Ba cations along the c axis. The electrical property of Ba(6)Ga(21)TaO(40) was characterized by using ac impedance spectroscopy.

Design of inside cut von koch fractal UWB MIMO antenna

NASA Astrophysics Data System (ADS)

Tharani, V.; Shanmuga Priya, N.; Rajesh, A.

2017-11-01

An Inside Cut Hexagonal Von Koch fractal MIMO antenna is designed for UWB applications and its characteristics behaviour are studied. Self-comparative and space filling properties of Koch fractal structure are utilized in the antenna design which leads to the desired miniaturization and wideband characteristics. The hexagonal shaped Von Koch Fractal antenna with Defected Ground Structure (DGS) is designed on FR4 substrate with a compact size of 30mm x 20mm x 1.6mm. The antenna achieves a maximum of -44dB and -51dB at 7.1GHz for 1-element and 2-element case respectively.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kapp, O.H.; Mainwaring, M.G.; Vinogradov, S.N.

A fraction of the extracellular hemoglobin of Lumbricus terrestris, obtained by gel filtration at neutral pH subsequent to dissociation either at pH 9.8 or at pH 4.0 or at pH 7.0 in 10 mM sodium phosphotungstate, consisting of the three subunits D1 (31 kDa), D2 (37 kDa) and T (50 kDa), produced two peaks when subjected to FPLC on a Superose 6 column at neutral pH. Peak I, eluting at a slightly greater volume than the native hemoglobin, consisted of reassociated hexagonal bilayer structures when examined by scanning transmission electron microscopy. The dimensions of the three reassociated hexagonal bilayer structuresmore » were 25 nm x 16 nm. Although the latter are smaller than the dimensions of the native hemoglobin, 30 nm x 20 nm, the diameter of the central cavity remained unchanged. Subtraction of the digitized and averaged images of the reassociated forms from those of the native hemoglobin suggested that the spatial localization of the fourth subunit, subunit M (16.7 kDa), was limited primarily to the periphery of the molecule.« less

A novel method to acquire 3D data from serial 2D images of a dental cast

NASA Astrophysics Data System (ADS)

Yi, Yaxing; Li, Zhongke; Chen, Qi; Shao, Jun; Li, Xinshe; Liu, Zhiqin

2007-05-01

This paper introduced a newly developed method to acquire three-dimensional data from serial two-dimensional images of a dental cast. The system consists of a computer and a set of data acquiring device. The data acquiring device is used to take serial pictures of the a dental cast; an artificial neural network works to translate two-dimensional pictures to three-dimensional data; then three-dimensional image can reconstruct by the computer. The three-dimensional data acquiring of dental casts is the foundation of computer-aided diagnosis and treatment planning in orthodontics.

Local doping of two-dimensional materials

DOEpatents

Wong, Dillon; Velasco, Jr, Jairo; Ju, Long; Kahn, Salman; Lee, Juwon; Germany, Chad E.; Zettl, Alexander K.; Wang, Feng; Crommie, Michael F.

2016-09-20

This disclosure provides systems, methods, and apparatus related to locally doping two-dimensional (2D) materials. In one aspect, an assembly including a substrate, a first insulator disposed on the substrate, a second insulator disposed on the first insulator, and a 2D material disposed on the second insulator is formed. A first voltage is applied between the 2D material and the substrate. With the first voltage applied between the 2D material and the substrate, a second voltage is applied between the 2D material and a probe positioned proximate the 2D material. The second voltage between the 2D material and the probe is removed. The first voltage between the 2D material and the substrate is removed. A portion of the 2D material proximate the probe when the second voltage was applied has a different electron density compared to a remainder of the 2D material.

GPU-accelerated two dimensional synthetic aperture focusing for photoacoustic microscopy

NASA Astrophysics Data System (ADS)

Liu, Siyu; Feng, Xiaohua; Gao, Fei; Jin, Haoran; Zhang, Ruochong; Luo, Yunqi; Zheng, Yuanjin

2018-02-01

Acoustic resolution photoacoustic microscopy (AR-PAM) generally suffers from limited depth of focus, which had been extended by synthetic aperture focusing techniques (SAFTs). However, for three dimensional AR-PAM, current one dimensional (1D) SAFT and its improved version like cross-shaped SAFT do not provide isotropic resolution in the lateral direction. The full potential of the SAFT remains to be tapped. To this end, two dimensional (2D) SAFT with fast computing architecture is proposed in this work. Explained by geometric modeling and Fourier acoustics theories, 2D-SAFT provide the narrowest post-focusing capability, thus to achieve best lateral resolution. Compared with previous 1D-SAFT techniques, the proposed 2D-SAFT improved the lateral resolution by at least 1.7 times and the signal-to-noise ratio (SNR) by about 10 dB in both simulation and experiments. Moreover, the improved 2D-SAFT algorithm is accelerated by a graphical processing unit that reduces the long period of reconstruction to only a few seconds. The proposed 2D-SAFT is demonstrated to outperform previous reported 1D SAFT in the aspects of improving the depth of focus, imaging resolution, and SNR with fast computational efficiency. This work facilitates future studies on in vivo deeper and high-resolution photoacoustic microscopy beyond several centimeters.

Non-Abelian string and particle braiding in topological order: Modular SL (3 ,Z ) representation and (3 +1 ) -dimensional twisted gauge theory

NASA Astrophysics Data System (ADS)

Wang, Juven C.; Wen, Xiao-Gang

2015-01-01

String and particle braiding statistics are examined in a class of topological orders described by discrete gauge theories with a gauge group G and a 4-cocycle twist ω4 of G 's cohomology group H4(G ,R /Z ) in three-dimensional space and one-dimensional time (3 +1 D ) . We establish the topological spin and the spin-statistics relation for the closed strings and their multistring braiding statistics. The 3 +1 D twisted gauge theory can be characterized by a representation of a modular transformation group, SL (3 ,Z ) . We express the SL (3 ,Z ) generators Sx y z and Tx y in terms of the gauge group G and the 4-cocycle ω4. As we compactify one of the spatial directions z into a compact circle with a gauge flux b inserted, we can use the generators Sx y and Tx y of an SL (2 ,Z ) subgroup to study the dimensional reduction of the 3D topological order C3 D to a direct sum of degenerate states of 2D topological orders Cb2 D in different flux b sectors: C3 D=⊕bCb2 D . The 2D topological orders Cb2 D are described by 2D gauge theories of the group G twisted by the 3-cocycle ω3 (b ), dimensionally reduced from the 4-cocycle ω4. We show that the SL (2 ,Z ) generators, Sx y and Tx y, fully encode a particular type of three-string braiding statistics with a pattern that is the connected sum of two Hopf links. With certain 4-cocycle twists, we discover that, by threading a third string through two-string unlink into a three-string Hopf-link configuration, Abelian two-string braiding statistics is promoted to non-Abelian three-string braiding statistics.