Approximation of properties of hyperelastic materials with use of energy-based models and biaxial tension data

NASA Astrophysics Data System (ADS)

Jamróz, Weronika

2016-06-01

The paper shows the way enrgy-based models aproximate mechanical properties of hiperelastic materials. Main goal of research was to create a method of finding a set of material constants that are included in a strain energy function that constitutes a heart of an energy-based model. The most optimal set of material constants determines the best adjustment of a theoretical stress-strain relation to the experimental one. This kind of adjustment enables better prediction of behaviour of a chosen material. In order to obtain more precised solution the approximation was made with use of data obtained in a modern experiment widely describen in [1]. To save computation time main algorithm is based on genetic algorithms.

Numerical Characterization of Piezoceramics Using Resonance Curves

PubMed Central

Pérez, Nicolás; Buiochi, Flávio; Brizzotti Andrade, Marco Aurélio; Adamowski, Julio Cezar

2016-01-01

Piezoelectric materials characterization is a challenging problem involving physical concepts, electrical and mechanical measurements and numerical optimization techniques. Piezoelectric ceramics such as Lead Zirconate Titanate (PZT) belong to the 6 mm symmetry class, which requires five elastic, three piezoelectric and two dielectric constants to fully represent the material properties. If losses are considered, the material properties can be represented by complex numbers. In this case, 20 independent material constants are required to obtain the full model. Several numerical methods have been used to adjust the theoretical models to the experimental results. The continuous improvement of the computer processing ability has allowed the use of a specific numerical method, the Finite Element Method (FEM), to iteratively solve the problem of finding the piezoelectric constants. This review presents the recent advances in the numerical characterization of 6 mm piezoelectric materials from experimental electrical impedance curves. The basic strategy consists in measuring the electrical impedance curve of a piezoelectric disk, and then combining the Finite Element Method with an iterative algorithm to find a set of material properties that minimizes the difference between the numerical impedance curve and the experimental one. Different methods to validate the results are also discussed. Examples of characterization of some common piezoelectric ceramics are presented to show the practical application of the described methods. PMID:28787875

Numerical Characterization of Piezoceramics Using Resonance Curves.

PubMed

Pérez, Nicolás; Buiochi, Flávio; Brizzotti Andrade, Marco Aurélio; Adamowski, Julio Cezar

2016-01-27

Piezoelectric materials characterization is a challenging problem involving physical concepts, electrical and mechanical measurements and numerical optimization techniques. Piezoelectric ceramics such as Lead Zirconate Titanate (PZT) belong to the 6 mm symmetry class, which requires five elastic, three piezoelectric and two dielectric constants to fully represent the material properties. If losses are considered, the material properties can be represented by complex numbers. In this case, 20 independent material constants are required to obtain the full model. Several numerical methods have been used to adjust the theoretical models to the experimental results. The continuous improvement of the computer processing ability has allowed the use of a specific numerical method, the Finite Element Method (FEM), to iteratively solve the problem of finding the piezoelectric constants. This review presents the recent advances in the numerical characterization of 6 mm piezoelectric materials from experimental electrical impedance curves. The basic strategy consists in measuring the electrical impedance curve of a piezoelectric disk, and then combining the Finite Element Method with an iterative algorithm to find a set of material properties that minimizes the difference between the numerical impedance curve and the experimental one. Different methods to validate the results are also discussed. Examples of characterization of some common piezoelectric ceramics are presented to show the practical application of the described methods.

The effect of solid interaction forces on pneumatic handling of sorbent powders

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

Lee, R.J.; Fan, L.S.

1993-06-01

This study shows that a comparison of powder characteristics--particle morphologies, particle size distributions, and static dielectric and Hamaker constants--can be used to interpret differences in dispersion and transport behavior between powders. These differences are attributed to the relative values of the solid-solid interaction forces experience by each powder in the process. The static dielectric constants of the powders are used as the material properties related to the relative magnitudes of the electrostatic forces. Similarly, the Hamaker constants are the material properties used to indicate the relative magnitudes of the van der Waals forces. The effects of differences in particle morphologiesmore » and size distributions are used to evaluate the dispersibility and efficiency of transport of four calcium-based powder materials used as sorbents in flue-gas desulfurization.« less

Determination of orthotropic mechanical properties of 3D printed parts for structural health monitoring

NASA Astrophysics Data System (ADS)

Poissenot-Arrigoni, Bastien; Scheyer, Austin; Anton, Steven R.

2017-04-01

The evolution of additive manufacturing has allowed engineers to use 3D printing for many purposes. As a natural consequence of the 3D printing process, the printed object is anisotropic. As part of an ongoing project to embed piezoelectric devices in 3D printed structures for structural health monitoring (SHM), this study aims to find the mechanical properties of the 3D printed material and the influence of different external factors on those properties. The orthotropic mechanical properties of a 3D printed structure are dependent on the printing parameters used to create the structure. In order to develop an orthotropic material model, mechanical properties will be found experimentally from additively manufactured samples created from polylactic acid (PLA) using a consumer-level fused deposition modeling (FDM) printer; the Lulzbot TAZ 6. Nine mechanical constants including three Young's moduli, three Poisson's ratios, and three shear moduli are needed to fully describe the 3D elastic behavior of the material. Printed specimens with different raster orientations and print orientations allow calculation of the different material constants. In this work, seven of the nine mechanical constants were found. Two shear moduli were unable to be measured due to difficulties in printing two of the sample orientations. These mechanical properties are needed in order to develop orthotropic material models of systems employing 3D printed PLA. The results from this paper will be used to create a model of a piezoelectric transducer embedded in a 3D printed structure for structural health monitoring.

Refinement of elastic, poroelastic, and osmotic tissue properties of intervertebral disks to analyze behavior in compression.

PubMed

Stokes, Ian A F; Laible, Jeffrey P; Gardner-Morse, Mack G; Costi, John J; Iatridis, James C

2011-01-01

Intervertebral disks support compressive forces because of their elastic stiffness as well as the fluid pressures resulting from poroelasticity and the osmotic (swelling) effects. Analytical methods can quantify the relative contributions, but only if correct material properties are used. To identify appropriate tissue properties, an experimental study and finite element analytical simulation of poroelastic and osmotic behavior of intervertebral disks were combined to refine published values of disk and endplate properties to optimize model fit to experimental data. Experimentally, nine human intervertebral disks with adjacent hemi-vertebrae were immersed sequentially in saline baths having concentrations of 0.015, 0.15, and 1.5 M and the loss of compressive force at constant height (force relaxation) was recorded over several hours after equilibration to a 300-N compressive force. Amplitude and time constant terms in exponential force-time curve-fits for experimental and finite element analytical simulations were compared. These experiments and finite element analyses provided data dependent on poroelastic and osmotic properties of the disk tissues. The sensitivities of the model to alterations in tissue material properties were used to obtain refined values of five key material parameters. The relaxation of the force in the three bath concentrations was exponential in form, expressed as mean compressive force loss of 48.7, 55.0, and 140 N, respectively, with time constants of 1.73, 2.78, and 3.40 h. This behavior was analytically well represented by a model having poroelastic and osmotic tissue properties with published tissue properties adjusted by multiplying factors between 0.55 and 2.6. Force relaxation and time constants from the analytical simulations were most sensitive to values of fixed charge density and endplate porosity.

Refinement of Elastic, Poroelastic, and Osmotic Tissue Properties of Intervertebral Disks to Analyze Behavior in Compression

PubMed Central

Stokes, Ian A. F.; Laible, Jeffrey P.; Gardner-Morse, Mack G.; Costi, John J.; Iatridis, James C.

2011-01-01

Intervertebral disks support compressive forces because of their elastic stiffness as well as the fluid pressures resulting from poroelasticity and the osmotic (swelling) effects. Analytical methods can quantify the relative contributions, but only if correct material properties are used. To identify appropriate tissue properties, an experimental study and finite element analytical simulation of poroelastic and osmotic behavior of intervertebral disks were combined to refine published values of disk and endplate properties to optimize model fit to experimental data. Experimentally, nine human intervertebral disks with adjacent hemi-vertebrae were immersed sequentially in saline baths having concentrations of 0.015, 0.15, and 1.5 M and the loss of compressive force at constant height (force relaxation) was recorded over several hours after equilibration to a 300-N compressive force. Amplitude and time constant terms in exponential force–time curve-fits for experimental and finite element analytical simulations were compared. These experiments and finite element analyses provided data dependent on poroelastic and osmotic properties of the disk tissues. The sensitivities of the model to alterations in tissue material properties were used to obtain refined values of five key material parameters. The relaxation of the force in the three bath concentrations was exponential in form, expressed as mean compressive force loss of 48.7, 55.0, and 140 N, respectively, with time constants of 1.73, 2.78, and 3.40 h. This behavior was analytically well represented by a model having poroelastic and osmotic tissue properties with published tissue properties adjusted by multiplying factors between 0.55 and 2.6. Force relaxation and time constants from the analytical simulations were most sensitive to values of fixed charge density and endplate porosity. PMID:20711754

Material with high dielectric constant, low dielectric loss, and good mechanical and thermal properties produced using multi-wall carbon nanotubes wrapped with poly(ether sulphone) in a poly(ether ether ketone) matrix

NASA Astrophysics Data System (ADS)

Zhang, Shuling; Wang, Hongsong; Wang, Guibin; Jiang, Zhenhua

2012-07-01

A material with high dielectric constant, low dielectric loss, and good mechanical and thermal properties was produced using multi-wall carbon nanotubes (MWCNTs) wrapped with poly(ether sulphone) (PES) dispersed in a poly(ether ether ketone) (PEEK) matrix. The material was fabricated using melt-blending, and MWCNT/PEEK composites show different degrees of improvement in the measured dielectric, mechanical, and thermal properties as compared to pure PEEK. This is attributed to the high conductivity of MWCNTs, the effect of wrapping MWCNTs with PES, the good dispersion of the wrapped MWCNTs in PEEK, and the strong interfacial adhesion between the wrapped MWCNTs and the PEEK.

Correct implementation of polarization constants in wurtzite materials and impact on III-nitrides

DOE PAGES

Dreyer, Cyrus E.; Janotti, Anderson; Van de Walle, Chris G.; ...

2016-06-20

Here, accurate values for polarization discontinuities between pyroelectric materials are critical for understanding and designing the electronic properties of heterostructures. For wurtzite materials, the zincblende structure has been used in the literature as a reference to determine the effective spontaneous polarization constants. We show that, because the zincblende structure has a nonzero formal polarization, this method results in a spurious contribution to the spontaneous polarization differences between materials. In addition, we address the correct choice of "improper" versus "proper" piezoelectric constants. For the technologically important III-nitride materials GaN, AlN, and InN, we determine polarization discontinuities using a consistent reference basedmore » on the layered hexagonal structure and the correct choice of piezoelectric constants, and discuss the results in light of available experimental data.« less

Comparison of solute-binding properties of plastic materials used as pharmaceutical product containers.

PubMed

Jenke, Dennis; Couch, Tom; Gillum, Amy

2010-01-01

Material/water equilibrium binding constants (E(b)) were determined for 11 organic solutes and 2 plastic materials commonly used in pharmaceutical product containers (plasticized polyvinyl chloride and polyolefin). In general, solute binding by the plasticized polyvinyl chloride material was greater, by nearly an order of magnitude, than the binding by the polyolefin (on an equal weight basis). The utilization of the binding constants to facilitate container compatibility assessments (e.g., drug loss by container binding) for drug-containing products is discussed.

Determination of temperature dependence of full matrix material constants of PZT-8 piezoceramics using only one sample.

PubMed

Zhang, Yang; Tang, Liguo; Tian, Hua; Wang, Jiyang; Cao, Wenwu; Zhang, Zhongwu

2017-08-15

Resonant ultrasound spectroscopy (RUS) was used to determine the temperature dependence of full matrix material constants of PZT-8 piezoceramics from room temperature to 100 °C. Property variations from sample to samples can be eliminated by using only one sample, so that data self-consistency can be guaranteed. The RUS measurement system error was estimated to be lower than 2.35%. The obtained full matrix material constants at different temperatures all have excellent self-consistency, which can help accurately predict device performance at high temperatures using finite element simulations.

Colossal dielectric constant up to gigahertz at room temperature

NASA Astrophysics Data System (ADS)

Krohns, S.; Lunkenheimer, P.; Kant, Ch.; Pronin, A. V.; Brom, H. B.; Nugroho, A. A.; Diantoro, M.; Loidl, A.

2009-03-01

The applicability of recently discovered materials with extremely high ("colossal") dielectric constants, required for future electronics, suffers from the fact that their dielectric constant ɛ' only is huge in a limited frequency range below about 1 MHz. In the present report, we show that the dielectric properties of a charge-ordered nickelate, La15/8Sr1/8NiO4, surpass those of other materials. Especially, ɛ' retains its colossal magnitude of >10 000 well into the gigahertz range.

Charting the complete elastic properties of inorganic crystalline compounds

PubMed Central

de Jong, Maarten; Chen, Wei; Angsten, Thomas; Jain, Anubhav; Notestine, Randy; Gamst, Anthony; Sluiter, Marcel; Krishna Ande, Chaitanya; van der Zwaag, Sybrand; Plata, Jose J; Toher, Cormac; Curtarolo, Stefano; Ceder, Gerbrand; Persson, Kristin A.; Asta, Mark

2015-01-01

The elastic constant tensor of an inorganic compound provides a complete description of the response of the material to external stresses in the elastic limit. It thus provides fundamental insight into the nature of the bonding in the material, and it is known to correlate with many mechanical properties. Despite the importance of the elastic constant tensor, it has been measured for a very small fraction of all known inorganic compounds, a situation that limits the ability of materials scientists to develop new materials with targeted mechanical responses. To address this deficiency, we present here the largest database of calculated elastic properties for inorganic compounds to date. The database currently contains full elastic information for 1,181 inorganic compounds, and this number is growing steadily. The methods used to develop the database are described, as are results of tests that establish the accuracy of the data. In addition, we document the database format and describe the different ways it can be accessed and analyzed in efforts related to materials discovery and design. PMID:25984348

Effects of simulated space environment on Skylab parasol material

NASA Technical Reports Server (NTRS)

Slemp, W. S.

1974-01-01

A material consisting of ripstop nylon bonded to the Mylar side of aluminized Mylar film was used to construct the first Skylab parasol. The mechanical properties of elongation and tensile strength and the radiative properties of solar absorptance and thermal emittance were measured before and after exposure to simulated solar radiation at intensities of 1.0 and 3.5 solar constants for exposure times as long as 947 hours or 3316 equivalent solar hours. The accelerated testing indicated more severe degradation than was experienced in the real-time test (1 solar constant). The results predicted that this material could have given satisfactory performance throughout the planned lifetime of the Skylab workshop.

K-Band Latching Switches

NASA Technical Reports Server (NTRS)

Piotrowski, W. S.; Raue, J. E.

1984-01-01

Design, development, and tests are described for two single-pole-double-throw latching waveguide ferrite switches: a K-band switch in WR-42 waveguide and a Ka-band switch in WR-28 waveguide. Both switches have structurally simple junctions, mechanically interlocked without the use of bonding materials; they are impervious to the effects of thermal, shock, and vibration stresses. Ferrite material for the Ka-band switch with a proper combination of magnetic and dielectric properties was available and resulted in excellent low loss, wideband performance. The high power handling requirement of the K-band switch limited the choice of ferrite to nickel-zinc compositions with adequate magnetic properties, but with too low relative dielectric constant. The relative dielectric constant determines the junction dimensions for given frequency responses. In this case the too low value unavoidably leads to a larger than optimum junction volume, increasing the insertion loss and restricting the operating bandwidth. Efforts to overcome the materials-related difficulties through the design of a composite junction with increased effective dielectric properties efforts to modify the relative dielectric constant of nickel-zinc ferrite are examined.

Technique for measurement of characteristic impedance and propagation constant for porous materials

NASA Astrophysics Data System (ADS)

Jung, Ki Won; Atchley, Anthony A.

2005-09-01

Knowledge of acoustic properties such as characteristic impedance and complex propagation constant is useful to characterize the acoustic behaviors of porous materials. Song and Bolton's four-microphone method [J. Acoust. Soc. Am. 107, 1131-1152 (2000)] is one of the most widely employed techniques. In this method two microphones are used to determine the complex pressure amplitudes for each side of a sample. Muehleisen and Beamer [J. Acoust. Soc. Am. 117, 536-544 (2005)] improved upon a four-microphone method by interchanging microphones to reduce errors due to uncertainties in microphone response. In this paper, a multiple microphone technique is investigated to reconstruct the pressure field inside an impedance tube. Measurements of the acoustic properties of a material having square cross-section pores is used to check the validity of the technique. The values of characteristic impedance and complex propagation constant extracted from the reconstruction agree well with predicted values. Furthermore, this technique is used in investigating the acoustic properties of reticulated vitreous carbon (RVC) in the range of 250-1100 Hz.

AELAS: Automatic ELAStic property derivations via high-throughput first-principles computation

NASA Astrophysics Data System (ADS)

Zhang, S. H.; Zhang, R. F.

2017-11-01

The elastic properties are fundamental and important for crystalline materials as they relate to other mechanical properties, various thermodynamic qualities as well as some critical physical properties. However, a complete set of experimentally determined elastic properties is only available for a small subset of known materials, and an automatic scheme for the derivations of elastic properties that is adapted to high-throughput computation is much demanding. In this paper, we present the AELAS code, an automated program for calculating second-order elastic constants of both two-dimensional and three-dimensional single crystal materials with any symmetry, which is designed mainly for high-throughput first-principles computation. Other derivations of general elastic properties such as Young's, bulk and shear moduli as well as Poisson's ratio of polycrystal materials, Pugh ratio, Cauchy pressure, elastic anisotropy and elastic stability criterion, are also implemented in this code. The implementation of the code has been critically validated by a lot of evaluations and tests on a broad class of materials including two-dimensional and three-dimensional materials, providing its efficiency and capability for high-throughput screening of specific materials with targeted mechanical properties. Program Files doi:http://dx.doi.org/10.17632/f8fwg4j9tw.1 Licensing provisions: BSD 3-Clause Programming language: Fortran Nature of problem: To automate the calculations of second-order elastic constants and the derivations of other elastic properties for two-dimensional and three-dimensional materials with any symmetry via high-throughput first-principles computation. Solution method: The space-group number is firstly determined by the SPGLIB code [1] and the structure is then redefined to unit cell with IEEE-format [2]. Secondly, based on the determined space group number, a set of distortion modes is automatically specified and the distorted structure files are generated. Afterwards, the total energy for each distorted structure is calculated by the first-principles codes, e.g. VASP [3]. Finally, the second-order elastic constants are determined from the quadratic coefficients of the polynomial fitting of the energies vs strain relationships and other elastic properties are accordingly derived. References [1] http://atztogo.github.io/spglib/. [2] A. Meitzler, H.F. Tiersten, A.W. Warner, D. Berlincourt, G.A. Couqin, F.S. Welsh III, IEEE standard on piezoelectricity, Society, 1988. [3] G. Kresse, J. Furthmüller, Phys. Rev. B 54 (1996) 11169.

Organic solar cells based on high dielectric constant materials: An approach to increase efficiency

NASA Astrophysics Data System (ADS)

Hamam, Khalil Jumah Tawfiq

The efficiency of organic solar cells still lags behind inorganic solar cells due to their low dielectric constant which results in a weakly screened columbic attraction between the photogenerated electron-hole system, therefore the probability of charge separating is low. Having an organic material with a high dielectric constant could be the solution to get separated charges or at least weakly bounded electron-hole pairs. Therefore, high dielectric constant materials have been investigated and studied by measuring modified metal-phthalocyanine (MePc) and polyaniline in pellets and thin films. The dielectric constant was investigated as a function of temperature and frequency in the range of 20Hz to1MHz. For MePc we found that the high dielectric constant was an extrinsic property due to water absorption and the formation of hydronuim ion allowed by the ionization of the functional groups such as sulphonated and carboxylic groups. The dielectric constant was high at low frequencies and decreasing as the frequency increase. Investigated materials were applied in fabricated bilayer heterojunction organic solar cells. The application of these materials in an organic solar cells show a significant stability under room conditions rather than improvement in their efficiency.

The Effect of Multi Wall Carbon Nanotubes on Some Physical Properties of Epoxy Matrix

NASA Astrophysics Data System (ADS)

Al-Saadi, Tagreed M.; hammed Aleabi, Suad; Al-Obodi, Entisar E.; Abdul-Jabbar Abbas, Hadeel

2018-05-01

This research involves using epoxy resin as a matrix for making a composite material, while the multi wall carbon nanotubes (MWNCTs) is used as a reinforcing material with different fractions (0.0,0.02, 0.04, 0.06) of the matrix weight. The mechanical ( hardness ), electrical ( dielectric constant, dielectric loss factor, dielectric strength, electrical conductivity ), and thermal properties (thermal conductivity ) were studied. The results showed the increase of hardness, thermal conductivity, electrical conductivity and break down strength with the increase of MWCNT concentration, but the behavior of dielectric loss factor and dielectric constant is opposite that.

Literature Review of Spin On Glass

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

Peterson, Reuben James

2016-03-02

Spin on glass (SOG) is a promising material that combines the planarization properties of a low-viscosity liquid with a dielectric constant lower than that of silicon dioxide. However, as this paper will show, this material comes with significant processing and material properties challenges that must be understood and overcome. Significant research has been accomplished through a variety of processing techniques that will be reviewed here.

Investigation of dielectric properties of different cake formulations during microwave and infrared-microwave combination baking.

PubMed

Sakiyan, Ozge; Sumnu, Gulum; Sahin, Serpil; Meda, Venkatesh

2007-05-01

Dielectric properties can be used to understand the behavior of food materials during microwave processing. Dielectric properties influence the level of interaction between food and high frequency electromagnetic energy. Dielectric properties are, therefore, important in the design of foods intended for microwave preparation. In this study, it was aimed to determine the variation of dielectric properties of different cake formulations during baking in microwave and infrared-microwave combination oven. In addition, the effects of formulation and temperature on dielectric properties of cake batter were examined. Dielectric constant and loss factor of cake samples were shown to be dependent on formulation, baking time, and temperature. The increase in baking time and temperature decreased dielectric constant and loss factor of all formulations. Fat content was shown to increase dielectric constant and loss factor of cakes.

Mapping Viscoelastic and Plastic Properties of Polymers and Polymer-Nanotube Composites using Instrumented Indentation

PubMed Central

Gayle, Andrew J.; Cook, Robert F.

2016-01-01

An instrumented indentation method is developed for generating maps of time-dependent viscoelastic and time-independent plastic properties of polymeric materials. The method is based on a pyramidal indentation model consisting of two quadratic viscoelastic Kelvin-like elements and a quadratic plastic element in series. Closed-form solutions for indentation displacement under constant load and constant loading-rate are developed and used to determine and validate material properties. Model parameters are determined by point measurements on common monolithic polymers. Mapping is demonstrated on an epoxy-ceramic interface and on two composite materials consisting of epoxy matrices containing multi-wall carbon nanotubes. A fast viscoelastic deformation process in the epoxy was unaffected by the inclusion of the nanotubes, whereas a slow viscoelastic process was significantly impeded, as was the plastic deformation. Mapping revealed considerable spatial heterogeneity in the slow viscoelastic and plastic responses in the composites, particularly in the material with a greater fraction of nanotubes. PMID:27563168

Simple Experiment for Studying the Properties of a Ferromagnetic Material.

ERIC Educational Resources Information Center

Sood, B. R.; And Others

1980-01-01

Describes an undergraduate physics experiment for studying Curie temperature and Curie constant of a ferromagnetic material. The exchange field (Weiss field) has been estimated by using these parameters. (HM)

Quantitative evaluation method for nonlinear characteristics of piezoelectric transducers under high stress with complex nonlinear elastic constant

NASA Astrophysics Data System (ADS)

Miyake, Susumu; Kasashima, Takashi; Yamazaki, Masato; Okimura, Yasuyuki; Nagata, Hajime; Hosaka, Hiroshi; Morita, Takeshi

2018-07-01

The high power properties of piezoelectric transducers were evaluated considering a complex nonlinear elastic constant. The piezoelectric LCR equivalent circuit with nonlinear circuit parameters was utilized to measure them. The deformed admittance curve of piezoelectric transducers was measured under a high stress and the complex nonlinear elastic constant was calculated by curve fitting. Transducers with various piezoelectric materials, Pb(Zr,Ti)O3, (K,Na)NbO3, and Ba(Zr,Ti)O3–(Ba,Ca)TiO3, were investigated by the proposed method. The measured complex nonlinear elastic constant strongly depends on the linear elastic and piezoelectric constants. This relationship indicates that piezoelectric high power properties can be controlled by modifying the linear elastic and piezoelectric constants.

High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials

DOE PAGES

Petousis, Ioannis; Mrdjenovich, David; Ballouz, Eric; ...

2017-01-31

Dielectrics are an important class of materials that are ubiquitous in modern electronic applications. Even though their properties are important for the performance of devices, the number of compounds with known dielectric constant is on the order of a few hundred. Here, we use Density Functional Perturbation Theory as a way to screen for the dielectric constant and refractive index of materials in a fast and computationally efficient way. Our results constitute the largest dielectric tensors database to date, containing 1,056 compounds. Details regarding the computational methodology and technical validation are presented along with the format of our publicly availablemore » data. In addition, we integrate our dataset with the Materials Project allowing users easy access to material properties. Finally, we explain how our dataset and calculation methodology can be used in the search for novel dielectric compounds.« less

High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials

PubMed Central

Petousis, Ioannis; Mrdjenovich, David; Ballouz, Eric; Liu, Miao; Winston, Donald; Chen, Wei; Graf, Tanja; Schladt, Thomas D.; Persson, Kristin A.; Prinz, Fritz B.

2017-01-01

Dielectrics are an important class of materials that are ubiquitous in modern electronic applications. Even though their properties are important for the performance of devices, the number of compounds with known dielectric constant is on the order of a few hundred. Here, we use Density Functional Perturbation Theory as a way to screen for the dielectric constant and refractive index of materials in a fast and computationally efficient way. Our results constitute the largest dielectric tensors database to date, containing 1,056 compounds. Details regarding the computational methodology and technical validation are presented along with the format of our publicly available data. In addition, we integrate our dataset with the Materials Project allowing users easy access to material properties. Finally, we explain how our dataset and calculation methodology can be used in the search for novel dielectric compounds. PMID:28140408

High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials.

PubMed

Petousis, Ioannis; Mrdjenovich, David; Ballouz, Eric; Liu, Miao; Winston, Donald; Chen, Wei; Graf, Tanja; Schladt, Thomas D; Persson, Kristin A; Prinz, Fritz B

2017-01-31

Dielectrics are an important class of materials that are ubiquitous in modern electronic applications. Even though their properties are important for the performance of devices, the number of compounds with known dielectric constant is on the order of a few hundred. Here, we use Density Functional Perturbation Theory as a way to screen for the dielectric constant and refractive index of materials in a fast and computationally efficient way. Our results constitute the largest dielectric tensors database to date, containing 1,056 compounds. Details regarding the computational methodology and technical validation are presented along with the format of our publicly available data. In addition, we integrate our dataset with the Materials Project allowing users easy access to material properties. Finally, we explain how our dataset and calculation methodology can be used in the search for novel dielectric compounds.

Electrical and absorption properties of fresh cassava tubers and cassava starch

NASA Astrophysics Data System (ADS)

Harnsoongnoen, S.; Siritaratiwat, A.

2015-09-01

The objective of this study was to analyze the electrical and absorption properties of fresh cassava tubers and cassava starch at various frequencies using electric impedance spectroscopy and near-infrared spectroscopy, as well as determine the classification of the electrical parameters of both materials using the principle component analysis (PCA) method. All samples were measured at room temperature. The electrical and absorption parameters consisted of dielectric constant, dissipation factor, parallel capacitance, resistance, reactance, impedance and absorbance. It was found that the electrical and absorption properties of fresh cassava tubers and cassava starch were a function of frequency, and there were significant differences between the materials. The dielectric constant, parallel capacitance, resistance and impedance of fresh cassava tubers and cassava starch had similar dramatic decreases with increasing frequency. However, the reactance of both materials increased with an increasing frequency. The electrical parameters of both materials could be classified into two groups. Moreover, the dissipation factor and phase of impedance were the parameters that could be used in the separation of both materials. According to the absorbance patterns of the fresh cassava tubers and cassava starch, there were significant differences.

Applied and engineering versions of the theory of elastoplastic processes of active complex loading part 2: Identification and verification

NASA Astrophysics Data System (ADS)

Peleshko, V. A.

2016-06-01

The deviator constitutive relation of the proposed theory of plasticity has a three-term form (the stress, stress rate, and strain rate vectors formed from the deviators are collinear) and, in the specialized (applied) version, in addition to the simple loading function, contains four dimensionless constants of the material determined from experiments along a two-link strain trajectory with an orthogonal break. The proposed simple mechanism is used to calculate the constants of themodel for four metallic materials that significantly differ in the composition and in the mechanical properties; the obtained constants do not deviate much from their average values (over the four materials). The latter are taken as universal constants in the engineering version of the model, which thus requires only one basic experiment, i. e., a simple loading test. If the material exhibits the strengthening property in cyclic circular deformation, then the model contains an additional constant determined from the experiment along a strain trajectory of this type. (In the engineering version of the model, the cyclic strengthening effect is not taken into account, which imposes a certain upper bound on the difference between the length of the strain trajectory arc and the module of the strain vector.) We present the results of model verification using the experimental data available in the literature about the combined loading along two- and multi-link strain trajectories with various lengths of links and angles of breaks, with plane curvilinear segments of various constant and variable curvature, and with three-dimensional helical segments of various curvature and twist. (All in all, we use more than 80 strain programs; the materials are low- andmedium-carbon steels, brass, and stainless steel.) These results prove that the model can be used to describe the process of arbitrary active (in the sense of nonnegative capacity of the shear) combine loading and final unloading of originally quasi-isotropic elastoplastic materials. In practical calculations, in the absence of experimental data about the properties of a material under combined loading, the use of the engineering version of the model is quite acceptable. The simple identification, wide verifiability, and the availability of a software implementation of the method for solving initial-boundary value problems permit treating the proposed theory as an applied theory.

Three Dimensional Distribution of Sensitive Field and Stress Field Inversion of Force Sensitive Materials under Constant Current Excitation.

PubMed

Zhao, Shuanfeng; Liu, Min; Guo, Wei; Zhang, Chuanwei

2018-02-28

Force sensitive conductive composite materials are functional materials which can be used as the sensitive material of force sensors. However, the existing sensors only use one-dimensional electrical properties of force sensitive conductive materials. Even in tactile sensors, the measurement of contact pressure is achieved by large-scale arrays and the units of a large-scale array are also based on the one-dimensional electrical properties of force sensitive materials. The main contribution of this work is to study the three-dimensional electrical properties and the inversion method of three-dimensional stress field of a force sensitive material (conductive rubber), which pushes the application of force sensitive material from one dimensional to three-dimensional. First, the mathematical model of the conductive rubber current field distribution under a constant force is established by the effective medium theory, and the current field distribution model of conductive rubber with different geometry, conductive rubber content and conductive rubber relaxation parameters is deduced. Secondly, the inversion method of the three-dimensional stress field of conductive rubber is established, which provides a theoretical basis for the design of a new tactile sensor, three-dimensional stress field and space force based on force sensitive materials.

Surface Lewis acid-base properties of polymers measured by inverse gas chromatography.

PubMed

Shi, Baoli; Zhang, Qianru; Jia, Lina; Liu, Yang; Li, Bin

2007-05-18

Surface Lewis acid-base properties are significant for polymers materials. The acid constant, K(a) and base constant, K(b) of many polymers were characterized by some researchers with inverse gas chromatography (IGC) in recent years. In this paper, the surface acid-base constants, K(a) and K(b) of 20 kinds of polymers measured by IGC in recent years are summarized and discussed, including seven polymers characterized in this work. After plotting K(b) versus K(a), it is found that the polymers can be encircled by a triangle. They scatter in two regions of the triangle. Four polymers exist in region I. K(b)/K(a) of the polymers in region I are 1.4-2.1. The other polymers exist in region II. Most of the polymers are relative basic materials.

Effective constitutive relations for large repetitive frame-like structures

NASA Technical Reports Server (NTRS)

Nayfeh, A. H.; Hefzy, M. S.

1981-01-01

Effective mechanical properties for large repetitive framelike structures are derived using combinations of strength of material and orthogonal transformation techniques. Symmetry considerations are used in order to identify independent property constants. The actual values of these constants are constructed according to a building block format which is carried out in the three consecutive steps: (1) all basic planar lattices are identified; (2) effective continuum properties are derived for each of these planar basic grids using matrix structural analysis methods; and (3) orthogonal transformations are used to determine the contribution of each basic set to the overall effective continuum properties of the structure.

Microwave measurement and modeling of the dielectric properties of vegetation

NASA Astrophysics Data System (ADS)

Shrestha, Bijay Lal

Some of the important applications of microwaves in the industrial, scientific and medical sectors include processing and treatment of various materials, and determining their physical properties. The dielectric properties of the materials of interest are paramount irrespective of the applications, hence, a wide range of materials covering food products, building materials, ores and fuels, and biological materials have been investigated for their dielectric properties. However, very few studies have been conducted towards the measurement of dielectric properties of green vegetations, including commercially important plant crops such as alfalfa. Because of its high nutritional value, there is a huge demand for this plant and its processed products in national and international markets, and an investigation into the possibility of applying microwaves to improve both the net yield and quality of the crop can be beneficial. Therefore, a dielectric measurement system based upon the probe reflection technique has been set up to measure dielectric properties of green plants over a frequency range from 300 MHz to 18 GHz, moisture contents from 12%, wet basis to 79%, wet basis, and temperatures from -15°C to 30°C. Dielectric properties of chopped alfalfa were measured with this system over frequency range of 300 MHz to 18 GHz, moisture content from 11.5%, wet basis, to 73%, wet basis, and density over the range from 139 kg m-3 to 716 kg m-3 at 23°C. The system accuracy was found to be +/-6% and +/-10% in measuring the dielectric constant and loss factor respectively. Empirical, semi empirical and theoretical models that require only moisture content and operating frequency were determined to represent the dielectric properties of both leaves and stems of alfalfa at 22°C. The empirical models fitted the measured dielectric data extremely well. The root mean square error (RMSE) and the coefficient of determination (r2) for dielectric constant and loss factor of leaves were 0.89 and 0.99, and 0.52 and 0.99 respectively. The RMSE and r2 values for dielectric constant and loss factor of stems were 0.89 and 0.99, and 0.77 and 0.99 respectively. Among semi empirical or theoretical models, Power law model showed better performance (RMSE = 1.78, r2 = 0.96) in modeling dielectric constant of leaves, and Debye-ColeCole model was more appropriate (RMSE = 1.23, r2 = 0.95) for the loss factor. For stems, the Debye-ColeCole models (developed on an assumption that they do not shrink as they dry) were found to be the best models to calculate the dielectric constant with RMSE 0.53 and r2 = 0.99, and dielectric loss factor with RMSE = 065 and r2 = 0.95. (Abstract shortened by UMI.)

Model for temperature-dependent magnetization of nanocrystalline materials

NASA Astrophysics Data System (ADS)

Bian, Q.; Niewczas, M.

2015-01-01

A magnetization model of nanocrystalline materials incorporating intragrain anisotropies, intergrain interactions, and texture effects has been extended to include the thermal fluctuations. The method relies on the stochastic Landau-Lifshitz-Gilbert theory of magnetization dynamics and permits to study the magnetic properties of nanocrystalline materials at arbitrary temperature below the Currie temperature. The model has been used to determine the intergrain exchange constant and grain boundary anisotropy constant of nanocrystalline Ni at 100 K and 298 K. It is found that the thermal fluctuations suppress the strength of the intergrain exchange coupling and also reduce the grain boundary anisotropy. In comparison with its value at 2 K, the interparticle exchange constant decreases by 16% and 42% and the grain boundary anisotropy constant decreases by 28% and 40% at 100 K and 298 K, respectively. An application of the model to study the grain size-dependent magnetization indicates that when the thermal activation energy is comparable to the free energy of grains, the decrease in the grain size leads to the decrease in the magnetic permeability and saturation magnetization. The mechanism by which the grain size influences the magnetic properties of nc-Ni is discussed.

Stress relaxation properties of four orthodontic aligner materials: A 24-hour in vitro study.

PubMed

Lombardo, Luca; Martines, Elisa; Mazzanti, Valentina; Arreghini, Angela; Mollica, Francesco; Siciliani, Giuseppe

2017-01-01

To investigate the stress release properties of four thermoplastic materials used to make orthodontic aligners when subjected to 24 consecutive hours of deflection. Four types of aligner materials (two single and two double layered) were selected. After initial yield strength testing to characterize the materials, each sample was subjected to a constant load for 24 hours in a moist, temperature-regulated environment, and the stress release over time was measured. The test was performed three times on each type of material. All polymers analyzed released a significant amount of stress during the 24-hour period. Stress release was greater during the first 8 hours, reaching a plateau that generally remained constant. The single-layer materials, F22 Aligner polyurethane (Sweden & Martina, Due Carrare, Padova, Italy) and Duran polyethylene terephthalate glycol-modified (SCHEU, Iserlohn, Germany), exhibited the greatest values for both absolute stress and stress decay speed. The double-layer materials, Erkoloc-Pro (Erkodent, Pfalzgrafenweiler, Germany) and Durasoft (SCHEU), exhibited very constant stress release, but at absolute values up to four times lower than the single-layer samples tested. Orthodontic aligner performance is strongly influenced by the material of their construction. Stress release, which may exceed 50% of the initial stress value in the early hours of wear, may cause significant changes in the behavior of the polymers at 24 hours from the application of orthodontic loads, which may influence programmed tooth movement.

Morphing Continuum Theory: A First Order Approximation to the Balance Laws

NASA Astrophysics Data System (ADS)

Wonnell, Louis; Cheikh, Mohamad Ibrahim; Chen, James

2017-11-01

Morphing Continuum Theory is constructed under the framework of Rational Continuum Mechanics (RCM) for fluid flows with inner structure. This multiscale theory has been successfully emplyed to model turbulent flows. The framework of RCM ensures the mathematical rigor of MCT, but contains new material constants related to the inner structure. The physical meanings of these material constants have yet to be determined. Here, a linear deviation from the zeroth-order Boltzmann-Curtiss distribution function is derived. When applied to the Boltzmann-Curtiss equation, a first-order approximation of the MCT governing equations is obtained. The integral equations are then related to the appropriate material constants found in the heat flux, Cauchy stress, and moment stress terms in the governing equations. These new material properties associated with the inner structure of the fluid are compared with the corresponding integrals, and a clearer physical interpretation of these coefficients emerges. The physical meanings of these material properties is determined by analyzing previous results obtained from numerical simulations of MCT for compressible and incompressible flows. The implications for the physics underlying the MCT governing equations will also be discussed. This material is based upon work supported by the Air Force Office of Scientific Research under Award Number FA9550-17-1-0154.

On the Use of Biaxial Properties in Modeling Annulus as a Holzapfel–Gasser–Ogden Material

PubMed Central

Momeni Shahraki, Narjes; Fatemi, Ali; Goel, Vijay K.; Agarwal, Anand

2015-01-01

Besides the biology, stresses and strains within the tissue greatly influence the location of damage initiation and mode of failure in an intervertebral disk. Finite element models of a functional spinal unit (FSU) that incorporate reasonably accurate geometry and appropriate material properties are suitable to investigate such issues. Different material models and techniques have been used to model the anisotropic annulus fibrosus, but the abilities of these models to predict damage initiation in the annulus and to explain clinically observed phenomena are unclear. In this study, a hyperelastic anisotropic material model for the annulus with two different sets of material constants, experimentally determined using uniaxial and biaxial loading conditions, were incorporated in a 3D finite element model of a ligamentous FSU. The purpose of the study was to highlight the biomechanical differences (e.g., intradiscal pressure, motion, forces, stresses, strains, etc.) due to the dissimilarity between the two sets of material properties (uniaxial and biaxial). Based on the analyses, the biaxial constants simulations resulted in better agreements with the in vitro and in vivo data, and thus are more suitable for future damage analysis and failure prediction of the annulus under complex multiaxial loading conditions. PMID:26090359

Influence of the electromagnetic parameters on the surface wave attenuation in thin absorbing layers

NASA Astrophysics Data System (ADS)

Li, Yinrui; Li, Dongmeng; Wang, Xian; Nie, Yan; Gong, Rongzhou

2018-05-01

This paper describes the relationships between the surface wave attenuation properties and the electromagnetic parameters of radar absorbing materials (RAMs). In order to conveniently obtain the attenuation constant of TM surface waves over a wide frequency range, the simplified dispersion equations in thin absorbing materials were firstly deduced. The validity of the proposed method was proved by comparing with the classical dispersion equations. Subsequently, the attenuation constants were calculated separately for the absorbing layers with hypothetical relative permittivity and permeability. It is found that the surface wave attenuation properties can be strongly tuned by the permeability of RAM. Meanwhile, the permittivity should be appropriate so as to maintain high cutoff frequency. The present work provides specific methods and designs to improve the attenuation performances of radar absorbing materials.

Means for ultrasonic testing when material properties vary

DOEpatents

Beller, Laurence S.

1979-01-01

A device is provided for maintaining constant sensitivity in an ultrasonic testing device, despite varying attenuation due to the properties of the material being tested. The device includes a sensor transducer for transmitting and receiving a test signal and a monitor transducer positioned so as to receive ultrasonic energy transmitted through the material to be tested. The received signal of the monitor transducer is utilized in analyzing data obtained from the sensor transducer.

Elastic properties of uniaxial-fiber reinforced composites - General features

NASA Astrophysics Data System (ADS)

Datta, Subhendu; Ledbetter, Hassel; Lei, Ming

The salient features of the elastic properties of uniaxial-fiber-reinforced composites are examined by considering the complete set of elastic constants of composites comprising isotropic uniaxial fibers in an isotropic matrix. Such materials exhibit transverse-isotropic symmetry and five independent elastic constants in Voigt notation: C(11), C(33), C(44), C(66), and C(13). These C(ij) constants are calculated over the entire fiber-volume-fraction range 0.0-1.0, using a scattered-plane-wave ensemple-average model. Some practical elastic constants such as the principal Young moduli and the principal Poisson ratios are considered, and the behavior of these constants is discussed. Also presented are the results for the four principal sound velocities used to study uniaxial-fiber-reinforced composites: v(11), v(33), v(12), and v(13).

An evaluation of complementary approaches to elucidate fundamental interfacial phenomena driving adhesion of energetic materials

DOE PAGES

Hoss, Darby J.; Knepper, Robert; Hotchkiss, Peter J.; ...

2016-03-23

In this study, cohesive Hamaker constants of solid materials are measured via optical and dielectric properties (i.e., Lifshitz theory), inverse gas chromatography (IGC), and contact angle measurements. To date, however, a comparison across these measurement techniques for common energetic materials has not been reported. This has been due to the inability of the community to produce samples of energetic materials that are readily compatible with contact angle measurements. Here we overcome this limitation by using physical vapor deposition to produce thin films of five common energetic materials, and the contact angle measurement approach is applied to estimate the cohesive Hamakermore » constants and surface energy components of the materials. The cohesive Hamaker constants range from 85 zJ to 135 zJ across the different films. When these Hamaker constants are compared to prior work using Lifshitz theory and nonpolar probe IGC, the relative magnitudes can be ordered as follows: contact angle > Lifshitz > IGC. Furthermore, the dispersive surface energy components estimated here are in good agreement with those estimated by IGC. Due to these results, researchers and technologists will now have access to a comprehensive database of adhesion constants which describe the behavior of these energetic materials over a range of settings.« less

Structural stability, mechanical properties, electronic structures and thermal properties of XS (X = Ti, V, Cr, Mn, Fe, Co, Ni) binary compounds

NASA Astrophysics Data System (ADS)

Liu, Yangzhen; Xing, Jiandong; Fu, Hanguang; Li, Yefei; Sun, Liang; Lv, Zheng

2017-08-01

The properties of sulfides are important in the design of new iron-steel materials. In this study, first-principles calculations were used to estimate the structural stability, mechanical properties, electronic structures and thermal properties of XS (X = Ti, V, Cr, Mn, Fe, Co, Ni) binary compounds. The results reveal that these XS binary compounds are thermodynamically stable, because their formation enthalpy is negative. The elastic constants, Cij, and moduli (B, G, E) were investigated using stress-strain and Voigt-Reuss-Hill approximation, respectively. The sulfide anisotropy was discussed from an anisotropic index and three-dimensional surface contours. The electronic structures reveal that the bonding characteristics of the XS compounds are a mixture of metallic and covalent bonds. Using a quasi-harmonic Debye approximation, the heat capacity at constant pressure and constant volume was estimated. NiS possesses the largest CP and CV of the sulfides.

Teaching Nanochemistry: Madelung Constants of Nanocrystals

ERIC Educational Resources Information Center

Baker, Mark D.; Baker, A. David

2010-01-01

The Madelung constants for binary ionic nanoparticles are determined. The computational method described here sums the Coulombic interactions of each ion in the particle without the use of partial charges commonly used for bulk materials. The results show size-dependent lattice energies. This is a useful concept in teaching how properties such as…

Aggregate linear properties of ferroelectric ceramics and polycrystalline thin films: Calculation by the method of effective piezoelectric medium

NASA Astrophysics Data System (ADS)

Pertsev, N. A.; Zembilgotov, A. G.; Waser, R.

1998-08-01

The effective dielectric, piezoelectric, and elastic constants of polycrystalline ferroelectric materials are calculated from single-crystal data by an advanced method of effective medium, which takes into account the piezoelectric interactions between grains in full measure. For bulk BaTiO3 and PbTiO3 polarized ceramics, the dependences of material constants on the remanent polarization are reported. Dielectric and elastic constants are computed also for unpolarized c- and a-textured ferroelectric thin films deposited on cubic or amorphous substrates. It is found that the dielectric properties of BaTiO3 and PbTiO3 polycrystalline thin films strongly depend on the type of crystal texture. The influence of two-dimensional clamping by the substrate on the dielectric and piezoelectric responses of polarized films is described quantitatively and shown to be especially important for the piezoelectric charge coefficient of BaTiO3 films.

An ab initio electronic transport database for inorganic materials.

PubMed

Ricci, Francesco; Chen, Wei; Aydemir, Umut; Snyder, G Jeffrey; Rignanese, Gian-Marco; Jain, Anubhav; Hautier, Geoffroy

2017-07-04

Electronic transport in materials is governed by a series of tensorial properties such as conductivity, Seebeck coefficient, and effective mass. These quantities are paramount to the understanding of materials in many fields from thermoelectrics to electronics and photovoltaics. Transport properties can be calculated from a material's band structure using the Boltzmann transport theory framework. We present here the largest computational database of electronic transport properties based on a large set of 48,000 materials originating from the Materials Project database. Our results were obtained through the interpolation approach developed in the BoltzTraP software, assuming a constant relaxation time. We present the workflow to generate the data, the data validation procedure, and the database structure. Our aim is to target the large community of scientists developing materials selection strategies and performing studies involving transport properties.

Optical Properties of Lithium Terbium Fluoride and Implications for Performance in High Power Lasers (Postprint)

DTIC Science & Technology

2016-02-01

Maximum 200 words) LiTbF4 has the potential to replace traditional magneto-optic (MO) garnet materials as a Faraday rotator in high power laser systems...TERMS LiTbF4; magneto-optic (MO) garnet materials; Faraday rotator; high power laser; Verdet constant; Sellmeier; optical isolator 16. SECURITY... Faraday rotator in high power laser systems due to its high Verdet constant. New measurements are reported of the ordinary and extraor- dinary

Ultrasonic Characterization of Superhard Material: Osmium Diboride

NASA Astrophysics Data System (ADS)

Yadawa, P. K.

2012-12-01

Higher order elastic constants have been calculated in hexagonal structured superhard material OsB2 at room temperature following the interaction potential model. The temperature variation of the ultrasonic velocities is evaluated along different angles with unique axis of the crystal using the second order elastic constants. The ultrasonic velocity decreases with the temperature along particular orientation with the unique axis. Temperature variation of the thermal relaxation time and Debye average velocities are also calculated along the same orientation. The temperature dependency of the ultrasonic properties is discussed in correlation with elastic, thermal and electrical properties. It has been found that the thermal conductivity is the main contributor to the behaviour of ultrasonic attenuation as a function of temperature and the responsible cause of attenuation is phonon-phonon interaction. The mechanical properties of OsB2 at low temperature are better than at high temperature, because at low temperature it has low ultrasonic velocity and ultrasonic attenuation. Superhard material OsB2 has many industrial applications, such as abrasives, cutting tools and hard coatings.

The nano-epsilon dot method for strain rate viscoelastic characterisation of soft biomaterials by spherical nano-indentation.

PubMed

Mattei, G; Gruca, G; Rijnveld, N; Ahluwalia, A

2015-10-01

Nano-indentation is widely used for probing the micromechanical properties of materials. Based on the indentation of surfaces using probes with a well-defined geometry, the elastic and viscoelastic constants of materials can be determined by relating indenter geometry and measured load and displacement to parameters which represent stress and deformation. Here we describe a method to derive the viscoelastic properties of soft hydrated materials at the micro-scale using constant strain rates and stress-free initial conditions. Using a new self-consistent definition of indentation stress and strain and corresponding unique depth-independent expression for indentation strain rate, the epsilon dot method, which is suitable for bulk compression testing, is transformed to nano-indentation. We demonstrate how two materials can be tested with a displacement controlled commercial nano-indentor using the nano-espilon dot method (nano-ε̇M) to give values of instantaneous and equilibrium elastic moduli and time constants with high precision. As samples are tested in stress-free initial conditions, the nano-ε̇M could be useful for characterising the micro-mechanical behaviour of soft materials such as hydrogels and biological tissues at cell length scales. Copyright © 2015 Elsevier Ltd. All rights reserved.

Enhanced dielectric properties of Fe-substituted TiO2 nanoparticles

NASA Astrophysics Data System (ADS)

Ali, T.; Ahmed, Ateeq; Naseem siddique, M.; Tripathi, P.

2018-04-01

We report the structural and dielectric properties Ti1-xFexO2 (0.00 < x < 0.10) nanoparticles (NPs) synthesized by sol-gel method. The synthesized material has been characterized by soft X-ray absorption spectroscopy (SXAS) in order to investigate the fine structure and electronic valence state. SXAS analysis reveals that Fe-ions exist only in 3+ valance state in all the samples. The dielectric properties were studied by the use of LCR impedance spectroscopy. The dielectric constants, dielectric loss and A.C. conductivity have been determined as a function of frequency and composition of iron. At higher frequencies, the materials exhibited high AC Conductivity and low dielectric constant. The above theory could be explained by 'Maxwell Wagner Model' and may provide a new insight to fabricate nanomaterials having possible electrical application.

Textile materials for the design of wearable antennas: a survey.

PubMed

Salvado, Rita; Loss, Caroline; Gonçalves, Ricardo; Pinho, Pedro

2012-11-15

In the broad context of Wireless Body Sensor Networks for healthcare and pervasive applications, the design of wearable antennas offers the possibility of ubiquitous monitoring, communication and energy harvesting and storage. Specific requirements for wearable antennas are a planar structure and flexible construction materials. Several properties of the materials influence the behaviour of the antenna. For instance, the bandwidth and the efficiency of a planar microstrip antenna are mainly determined by the permittivity and the thickness of the substrate. The use of textiles in wearable antennas requires the characterization of their properties. Specific electrical conductive textiles are available on the market and have been successfully used. Ordinary textile fabrics have been used as substrates. However, little information can be found on the electromagnetic properties of regular textiles. Therefore this paper is mainly focused on the analysis of the dielectric properties of normal fabrics. In general, textiles present a very low dielectric constant that reduces the surface wave losses and increases the impedance bandwidth of the antenna. However, textile materials are constantly exchanging water molecules with the surroundings, which affects their electromagnetic properties. In addition, textile fabrics are porous, anisotropic and compressible materials whose thickness and density might change with low pressures. Therefore it is important to know how these characteristics influence the behaviour of the antenna in order to minimize unwanted effects. This paper presents a survey of the key points for the design and development of textile antennas, from the choice of the textile materials to the framing of the antenna. An analysis of the textile materials that have been used is also presented.

Textile Materials for the Design of Wearable Antennas: A Survey

PubMed Central

Salvado, Rita; Loss, Caroline; Gonçalves, Ricardo; Pinho, Pedro

2012-01-01

In the broad context of Wireless Body Sensor Networks for healthcare and pervasive applications, the design of wearable antennas offers the possibility of ubiquitous monitoring, communication and energy harvesting and storage. Specific requirements for wearable antennas are a planar structure and flexible construction materials. Several properties of the materials influence the behaviour of the antenna. For instance, the bandwidth and the efficiency of a planar microstrip antenna are mainly determined by the permittivity and the thickness of the substrate. The use of textiles in wearable antennas requires the characterization of their properties. Specific electrical conductive textiles are available on the market and have been successfully used. Ordinary textile fabrics have been used as substrates. However, little information can be found on the electromagnetic properties of regular textiles. Therefore this paper is mainly focused on the analysis of the dielectric properties of normal fabrics. In general, textiles present a very low dielectric constant that reduces the surface wave losses and increases the impedance bandwidth of the antenna. However, textile materials are constantly exchanging water molecules with the surroundings, which affects their electromagnetic properties. In addition, textile fabrics are porous, anisotropic and compressible materials whose thickness and density might change with low pressures. Therefore it is important to know how these characteristics influence the behaviour of the antenna in order to minimize unwanted effects. This paper presents a survey of the key points for the design and development of textile antennas, from the choice of the textile materials to the framing of the antenna. An analysis of the textile materials that have been used is also presented. PMID:23202235

Theoretical Study of the Transverse Dielectric Constant of Superlattices and Their Alloys. Ph.D Thesis

NASA Technical Reports Server (NTRS)

Kahen, K. B.

1986-01-01

The optical properties of III to V binary and ternary compounds and GaAs-Al(x)Ga(1-x)As superlattices are determined by calculating the real and imaginary parts of the transverse dielectric constant. Emphasis is given to determining the influence of different material and superlattice parameters on the values of the index of refraction and absorption coefficient. In order to calculate the optical properties of a material, it is necessary to compute its electronic band structure. This was accomplished by introducing a partition band structure approach based on a combination of the vector k x vector p and nonlocal pseudopotential techniques. The advantages of this approach are that it is accurate, computationally fast, analytical, and flexible. These last two properties enable incorporation of additional effects into the model, such as disorder scattering, which occurs for alloy materials and excitons. Furthermore, the model is easily extended to more complex structures, for example multiple quantum wells and superlattices. The results for the transverse dielectric constant and absorption coefficient of bulk III to V compounds compare well with other one-electron band structure models and the calculations show that for small frequencies, the index of refraction is determined mainly by the contibution of the outer regions of the Brillouin zone.

Development of Dielectric Material with Ceramic Matrix Composite (CMC) Produced from Kaolinite and CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO)

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

Yin, Wong Swee; Hassan, Jumiah; Hashim, Mansor

Ceramic matrix composites (CMC) combine reinforcing ceramic phases, CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO) with a ceramic matrix, kaolinite to create materials with new and superior properties. 10% and 20% CCTO were prepared by using a conventional solid state reaction method. CMC samples were pre-sintered at 800 deg. C and sintered at 1000 deg. C. The dielectric properties of samples were measured using HP 4192A LF Impedance Analyzer. Microstructures of the samples were observed using an optical microscope. XRD was used to determine the crystalline structure of the samples. The AFM showed the morphology of the samples. The results showed thatmore » the dielectric constant and dielectric loss factor of both samples are frequency dependent. At 10 Hz, the dielectric constant is 10{sup 11} for both samples. The CMC samples were independent with temperature with low dielectric constant in the frequency range of 10{sup 4}-10{sup 6} Hz. Since the CMC samples consist of different amount of kaolinite, so each sample exhibit different defect mechanism. Different reaction may occur for different composition of material. The effects of processing conditions on the microstructure and electrical properties of CMC are also discussed.« less

Investigation of different physical aspects such as structural, mechanical, optical properties and Debye temperature of Fe2ScM (M=P and As) semiconductors: A DFT-based first principles study

NASA Astrophysics Data System (ADS)

Ali, Md. Lokman; Rahaman, Md. Zahidur

2018-04-01

By using first principles calculation dependent on the density functional theory (DFT), we have investigated the mechanical, structural properties and the Debye temperature of Fe2ScM (M=P and As) compounds under various pressures up to 60 GPa. The optical properties have been investigated under zero pressure. Our calculated optimized structural parameters of both the materials are in good agreement with other theoretical predictions. The calculated elastic constants show that Fe2ScM (M=P and As) compounds are mechanically stable under external pressure below 60 GPa. From the elastic constants, the shear modulus G, the bulk modulus B, Young’s modulus E, anisotropy factor A and Poisson’s ratio ν are calculated by using the Voigt-Reuss-Hill approximation. The Debye temperature and average sound velocities are also investigated from the obtained elastic constants. The detailed analysis of all optical functions reveals that both compounds are good dielectric material.

Investigation of superconducting interactions and amorphous semiconductors

NASA Technical Reports Server (NTRS)

Janocko, M. A.; Jones, C. K.; Gavaler, J. R.; Deis, D. W.; Ashkin, M.; Mathur, M. P.; Bauerle, J. E.

1972-01-01

Research papers on superconducting interactions and properties and on amorphous materials are presented. The search for new superconductors with improved properties was largely concentrated on the study of properties of thin films. An experimental investigation of interaction mechanisms revealed no new superconductivity mechanism. The properties of high transition temperature, type 2 materials prepared in thin film form were studied. A pulsed field solenoid capable of providing fields in excess of 300 k0e was developed. Preliminary X-ray measurements were made of V3Si to determine the behavior of cell constant deformation versus pressure up to 98 kilobars. The electrical properties of amorphous semiconducting materials and bulk and thin film devices, and of amorphous magnetic materials were investigated for developing radiation hard, inexpensive switches and memory elements.

Monte Carlo method for photon heating using temperature-dependent optical properties.

PubMed

Slade, Adam Broadbent; Aguilar, Guillermo

2015-02-01

The Monte Carlo method for photon transport is often used to predict the volumetric heating that an optical source will induce inside a tissue or material. This method relies on constant (with respect to temperature) optical properties, specifically the coefficients of scattering and absorption. In reality, optical coefficients are typically temperature-dependent, leading to error in simulation results. The purpose of this study is to develop a method that can incorporate variable properties and accurately simulate systems where the temperature will greatly vary, such as in the case of laser-thawing of frozen tissues. A numerical simulation was developed that utilizes the Monte Carlo method for photon transport to simulate the thermal response of a system that allows temperature-dependent optical and thermal properties. This was done by combining traditional Monte Carlo photon transport with a heat transfer simulation to provide a feedback loop that selects local properties based on current temperatures, for each moment in time. Additionally, photon steps are segmented to accurately obtain path lengths within a homogenous (but not isothermal) material. Validation of the simulation was done using comparisons to established Monte Carlo simulations using constant properties, and a comparison to the Beer-Lambert law for temperature-variable properties. The simulation is able to accurately predict the thermal response of a system whose properties can vary with temperature. The difference in results between variable-property and constant property methods for the representative system of laser-heated silicon can become larger than 100K. This simulation will return more accurate results of optical irradiation absorption in a material which undergoes a large change in temperature. This increased accuracy in simulated results leads to better thermal predictions in living tissues and can provide enhanced planning and improved experimental and procedural outcomes. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Theoretical Evaluation of the Transient Response of Constant Head and Constant Flow-Rate Permeability Tests

USGS Publications Warehouse

Zhang, M.; Takahashi, M.; Morin, R.H.; Esaki, T.

1998-01-01

A theoretical analysis is presented that compares the response characteristics of the constant head and the constant flowrate (flow pump) laboratory techniques for quantifying the hydraulic properties of geologic materials having permeabilities less than 10-10 m/s. Rigorous analytical solutions that describe the transient distributions of hydraulic gradient within a specimen are developed, and equations are derived for each method. Expressions simulating the inflow and outflow rates across the specimen boundaries during a constant-head permeability test are also presented. These solutions illustrate the advantages and disadvantages of each method, including insights into measurement accuracy and the validity of using Darcy's law under certain conditions. The resulting observations offer practical considerations in the selection of an appropriate laboratory test method for the reliable measurement of permeability in low-permeability geologic materials.

Electrical properties of Apollo 17 rock and soil samples and a summary of the electrical properties of lunar material at 450 MHz frequency

NASA Technical Reports Server (NTRS)

Gold, T.; Bilson, E.; Baron, R. L.

1976-01-01

The dielectric constant and the voltage absorption length was measured for four Apollo 17 soil samples (73241, 74220, 75061, 76501) and for two Apollo 17 rock samples (76315 and 79135) at 450 MHz frequency. The dielectric constant and absorption length measurements made on the lunar samples are reviewed and related to the transition element concentration in these samples. The significance of the laboratory measurements for radar observations is discussed.

Scanning evanescent electro-magnetic microscope

DOEpatents

Xiang, Xiao-Dong; Gao, Chen; Schultz, Peter G.; Wei, Tao

2003-01-01

A novel scanning microscope is described that uses near-field evanescent electromagnetic waves to probe sample properties. The novel microscope is capable of high resolution imaging and quantitative measurements of the electrical properties of the sample. The inventive scanning evanescent wave electromagnetic microscope (SEMM) can map dielectric constant, tangent loss, conductivity, complex electrical impedance, and other electrical parameters of materials. The quantitative map corresponds to the imaged detail. The novel microscope can be used to measure electrical properties of both dielectric and electrically conducting materials.

Scanning evanescent electro-magnetic microscope

DOEpatents

Xiang, Xiao-Dong; Gao, Chen

2001-01-01

A novel scanning microscope is described that uses near-field evanescent electromagnetic waves to probe sample properties. The novel microscope is capable of high resolution imaging and quantitative measurements of the electrical properties of the sample. The inventive scanning evanescent wave electromagnetic microscope (SEMM) can map dielectric constant, tangent loss, conductivity, complex electrical impedance, and other electrical parameters of materials. The quantitative map corresponds to the imaged detail. The novel microscope can be used to measure electrical properties of both dielectric and electrically conducting materials.

Mechanical Properties of a High Lead Glass Used in the Mars Organic Molecule Analyzer

NASA Technical Reports Server (NTRS)

Salem, Jonathan A.; Smith, Nathan A.; Ersahin, Akif

2015-01-01

The elastic constants, strength, fracture toughness, slow crack growth parameters, and mirror constant of a high lead glass supplied as tubes and funnels were measured using ASTM International (formerly ASTM, American Society for Testing and Materials) methods and modifications thereof. The material exhibits lower Young's modulus and slow crack growth exponent as compared to soda-lime silica glass. Highly modified glasses exhibit lower fracture toughness and slow crack growth exponent than high purity glasses such as fused silica.

Cross-Linked Nanotube Materials with Variable Stiffness Tethers

NASA Technical Reports Server (NTRS)

Frankland, Sarah-Jane V.; Odegard, Gregory M.; Herzog, Matthew N.; Gates, Thomas S.; Fay, Catherine C.

2004-01-01

The constitutive properties of a cross-linked single-walled carbon nanotube material are predicted with a multi-scale model. The material is modeled as a transversely isotropic solid using concepts from equivalent-continuum modeling. The elastic constants are determined using molecular dynamics simulation. Some parameters of the molecular force field are determined specifically for the cross-linker from ab initio calculations. A demonstration of how the cross-linked nanotubes may affect the properties of a nanotube/polyimide composite is included using a micromechanical analysis.

Studies of volatiles and organic materials in early terrestrial and present-day outer solar system environments

NASA Technical Reports Server (NTRS)

Sagan, Carl; Thompson, W. Reid; Chyba, Christopher F.; Khare, B. N.

1991-01-01

A review and partial summary of projects within several areas of research generally involving the origin, distribution, chemistry, and spectral/dielectric properties of volatiles and organic materials in the outer solar system and early terrestrial environments are presented. The major topics covered include: (1) impact delivery of volatiles and organic compounds to the early terrestrial planets; (2) optical constants measurements; (3) spectral classification, chemical processes, and distribution of materials; and (4) radar properties of ice, hydrocarbons, and organic heteropolymers.

MOlecular MAterials Property Prediction Package (MOMAP) 1.0: a software package for predicting the luminescent properties and mobility of organic functional materials

NASA Astrophysics Data System (ADS)

Niu, Yingli; Li, Wenqiang; Peng, Qian; Geng, Hua; Yi, Yuanping; Wang, Linjun; Nan, Guangjun; Wang, Dong; Shuai, Zhigang

2018-04-01

MOlecular MAterials Property Prediction Package (MOMAP) is a software toolkit for molecular materials property prediction. It focuses on luminescent properties and charge mobility properties. This article contains a brief descriptive introduction of key features, theoretical models and algorithms of the software, together with examples that illustrate the performance. First, we present the theoretical models and algorithms for molecular luminescent properties calculation, which includes the excited-state radiative/non-radiative decay rate constant and the optical spectra. Then, a multi-scale simulation approach and its algorithm for the molecular charge mobility are described. This approach is based on hopping model and combines with Kinetic Monte Carlo and molecular dynamics simulations, and it is especially applicable for describing a large category of organic semiconductors, whose inter-molecular electronic coupling is much smaller than intra-molecular charge reorganisation energy.

Polymer Nanocomposite Materials with High Dielectric Permittivity and Low Dielectric Loss Properties

NASA Astrophysics Data System (ADS)

Toor, Anju

Materials with high dielectric permittivity have drawn increasing interests in recent years for their important applications in capacitors, actuators, and high energy density pulsed power. Particularly, polymer-based dielectrics are excellent candidates, owing to their properties such as high breakdown strength, low dielectric loss, flexibility and easy processing. To enhance the dielectric permittivity of polymer materials, typically, high dielectric constant filler materials are added to the polymer. Previously, ferroelectric and conductive fillers have been mainly used. However, such systems suffered from various limitations. For example, composites based on ferroelectric materials like barium titanate, exhibited high dielectric loss, and poor saturation voltages. Conductive fillers are used in the form of powder aggregates, and they may show 10-100 times enhancement in dielectric constant, however these nanoparticle aggregates cause the dielectric loss to be significant. Also, agglomerates limit the volume fraction of fillers in polymer and hence, the ability to achieve superior dielectric constants. Thus, the aggregation of nanoparticles is a significant challenge to their use to improve the dielectric permittivity. We propose the use of ligand-coated metal nanoparticle fillers to enhance the dielectric properties of the host polymer while minimizing dielectric loss by preventing nanoparticle agglomeration. The focus is on obtaining uniform dispersion of nanoparticles with no agglomeration by utilizing appropriate ligands/surface functionalizations on the gold nanoparticle surface. Use of ligand coated metal nanoparticles will enhance the dielectric constant while minimizing dielectric loss, even with the particles closely packed in the polymer matrix. Novel combinations of materials, which use 5 nm diameter metal nanoparticles embedded inside high breakdown strength polymer materials are evaluated. High breakdown strength polymer materials are chosen to allow further exploration of these materials for energy storage applications. In summary, two novel nanocomposite materials are designed and synthesized, one involving polyvinylidene fluoride (PVDF) as the host polymer for potential applications in energy storage and the other with SU-8 for microelectronic applications. Scanning elec- tron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy and ultramicrotoming techniques were used for the material characterization of the nanocomposite materials. A homogeneous dispersion of gold nanoparticles with low particle agglomeration has been achieved. Fabricated nanoparticle polymer composite films showed the absence of voids and cracks. Also, no evidence of macro-phase separation of nanoparticles from the polymer phase was observed. This is important because nanoparticle agglomeration and phase separation from the polymer usually results in poor processability of films and a high defect density. Dielectric characterization of the nanocomposite materials showed enhancement in the dielectric constant over the base polymer values and low dielectric loss values were observed.

Elastic properties of sulphur and selenium doped ternary PbTe alloys by first principles

NASA Astrophysics Data System (ADS)

Bali, Ashoka; Chetty, Raju; Mallik, Ramesh Chandra

2014-04-01

Lead telluride (PbTe) is an established thermoelectric material which can be alloyed with sulphur and selenium to further enhance the thermoelectric properties. Here, a first principles study of ternary alloys PbSxTe(1-x) and PbSexTe(1-x) (0≤x≤1) based on the Virtual Crystal Approximation (VCA) is presented for different ratios of the isoelectronic atoms in each series. Equilibrium lattice parameters and elastic constants have been calculated and compared with the reported data. Anisotropy parameter calculated from the stiffness constants showed a slight improvement in anisotropy of elastic properties of the alloys over undoped PbTe. Furthermore, the alloys satisfied the predicted stability criteria from the elastic constants, showing stable structures, which agreed with the previously reported experimental results.

Comparison between the basic least squares and the Bayesian approach for elastic constants identification

NASA Astrophysics Data System (ADS)

Gogu, C.; Haftka, R.; LeRiche, R.; Molimard, J.; Vautrin, A.; Sankar, B.

2008-11-01

The basic formulation of the least squares method, based on the L2 norm of the misfit, is still widely used today for identifying elastic material properties from experimental data. An alternative statistical approach is the Bayesian method. We seek here situations with significant difference between the material properties found by the two methods. For a simple three bar truss example we illustrate three such situations in which the Bayesian approach leads to more accurate results: different magnitude of the measurements, different uncertainty in the measurements and correlation among measurements. When all three effects add up, the Bayesian approach can have a large advantage. We then compared the two methods for identification of elastic constants from plate vibration natural frequencies.

Combinatorial Investigation of ZrO2-Based Dielectric Materials for Dynamic Random-Access Memory Capacitors

NASA Astrophysics Data System (ADS)

Kiyota, Yuji; Itaka, Kenji; Iwashita, Yuta; Adachi, Tetsuya; Chikyow, Toyohiro; Ogura, Atsushi

2011-06-01

We investigated zirconia (ZrO2)-based material libraries in search of new dielectric materials for dynamic random-access memory (DRAM) by combinatorial-pulsed laser deposition (combi-PLD). We found that the substitution of yttrium (Y) to Zr sites in the ZrO2 system suppressed the leakage current effectively. The metal-insulator-metal (MIM) capacitor property of this system showed a leakage current density of less than 5×10-7 A/cm2 and the dielectric constant was 20. Moreover, the addition of titanium (Ti) or tantalum (Ta) to this system caused the dielectric constant to increase to ˜25 within the allowed leakage level of 5×10-7 A/cm2. Therefore, Zr-Y-Ti-O and Zr-Y-Ta-O systems have good potentials for use as new materials with high dielectric constants of DRAM capacitors instead of silicon dioxides (SiO2).

Multiple electrical phase transitions in Al substituted barium hexaferrite

NASA Astrophysics Data System (ADS)

Kumar, Sunil; Supriya, Sweety; Kar, Manoranjan

2017-12-01

Barium hexaferrite is known to be a very good ferromagnetic material. However, it shows very good dielectric properties, i.e., the dielectric constant is comparable to that of the ferroelectric material. However, its crystal symmetry does not allow it to be a ferroelectric material. Hence, the electrical properties have revived the considerable research interest on these materials, not only for academic interest, but also for technological applications. There are a few reports on temperature dependent dielectric behavior of these materials. However, the exact cause of dielectric as well as electrical conductivity is yet to be established. Hence, Al (very good conducting material) substituted barium hexaferrite (BaFe12-xAlxO19, x = 0.0-4.0) has been prepared by following the modified sol-gel method to understand the ac and DC electrical properties of these materials. The crystal structure and parameters have been studied by employing the XRD and FTIR techniques. There are two transition temperatures, which have been observed in the temperature dependent ac dielectric and DC resistivity measurement. The response of dielectric behaviors to temperature is similar to that of the ferroelectric material; however, the dielectric polarization is due to the polaron hopping, which is evident from the DC resistivity analysis. Hence, the present observations lead to understand the electrical properties of barium hexaferrite. The frequency dependent dielectric dispersion can be understood by the modified Debye model. More interestingly, the dielectric constant decreases and DC resistivity increases with the increase in the Al concentration, which has the correlation between bond length modifications in the crystal due to substitution.

Nonintrinsic origin of the colossal dielectric constants in Ca Cu3 Ti4 O12

NASA Astrophysics Data System (ADS)

Lunkenheimer, P.; Fichtl, R.; Ebbinghaus, S. G.; Loidl, A.

2004-11-01

The dielectric properties of CaCu3Ti4O12 , a material showing colossal values of the dielectric constant, were investigated over a broad temperature and frequency range extending up to 1.3GHz . A detailed equivalent-circuit analysis of the results and two crucial experiments, employing different types of contacts and varying the sample thickness were performed. The results provide clear evidence that the apparently high values of the dielectric constant in CaCu3Ti4O12 are nonintrinsic and due to electrode polarization effects. The intrinsic properties of CaCu3Ti4O12 are characterized by charge transport via hopping of localized charge carriers and a relatively high dielectric constant of the order of 100.

Theoretical calculations of structural, electronic, and elastic properties of CdSe1-x Te x : A first principles study

NASA Astrophysics Data System (ADS)

M, Shakil; Muhammad, Zafar; Shabbir, Ahmed; Muhammad Raza-ur-rehman, Hashmi; M, A. Choudhary; T, Iqbal

2016-07-01

The plane wave pseudo-potential method was used to investigate the structural, electronic, and elastic properties of CdSe1-x Te x in the zinc blende phase. It is observed that the electronic properties are improved considerably by using LDA+U as compared to the LDA approach. The calculated lattice constants and bulk moduli are also comparable to the experimental results. The cohesive energies for pure CdSe and CdTe binary and their mixed alloys are calculated. The second-order elastic constants are also calculated by the Lagrangian theory of elasticity. The elastic properties show that the studied material has a ductile nature.

Quantitative non-destructive evaluation of composite materials based on ultrasonic wave propagation

NASA Technical Reports Server (NTRS)

Miller, J. G.

1986-01-01

The application and interpretation of specific ultrasonic nondestructive evaluation techniques are studied. The Kramers-Kronig or generalized dispersion relationships are applied to nondestructive techniques. Progress was made on an improved determination of material properties of composites inferred from elastic constant measurements.

An ab initio electronic transport database for inorganic materials

DOE PAGES

Ricci, Francesco; Chen, Wei; Aydemir, Umut; ...

2017-07-04

Electronic transport in materials is governed by a series of tensorial properties such as conductivity, Seebeck coefficient, and effective mass. These quantities are paramount to the understanding of materials in many fields from thermoelectrics to electronics and photovoltaics. Transport properties can be calculated from a material’s band structure using the Boltzmann transport theory framework. We present here the largest computational database of electronic transport properties based on a large set of 48,000 materials originating from the Materials Project database. Our results were obtained through the interpolation approach developed in the BoltzTraP software, assuming a constant relaxation time. We present themore » workflow to generate the data, the data validation procedure, and the database structure. In conclusion, our aim is to target the large community of scientists developing materials selection strategies and performing studies involving transport properties.« less

An ab initio electronic transport database for inorganic materials

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

Ricci, Francesco; Chen, Wei; Aydemir, Umut

Electronic transport in materials is governed by a series of tensorial properties such as conductivity, Seebeck coefficient, and effective mass. These quantities are paramount to the understanding of materials in many fields from thermoelectrics to electronics and photovoltaics. Transport properties can be calculated from a material’s band structure using the Boltzmann transport theory framework. We present here the largest computational database of electronic transport properties based on a large set of 48,000 materials originating from the Materials Project database. Our results were obtained through the interpolation approach developed in the BoltzTraP software, assuming a constant relaxation time. We present themore » workflow to generate the data, the data validation procedure, and the database structure. In conclusion, our aim is to target the large community of scientists developing materials selection strategies and performing studies involving transport properties.« less

Development of procedures for calculating stiffness and damping properties of elastomers in engineering applications. Part 1: Verification of basic methods

NASA Technical Reports Server (NTRS)

Chiang, T.; Tessarzik, J. M.; Badgley, R. H.

1972-01-01

The primary aim of this investigation was verification of basic methods which are to be used in cataloging elastomer dynamic properties (stiffness and damping) in terms of viscoelastic model constants. These constants may then be used to predict dynamic properties for general elastomer shapes and operating conditions, thereby permitting optimum application of elastomers as energy absorption and/or energy storage devices in the control of vibrations in a broad variety of applications. The efforts reported involved: (1) literature search; (2) the design, fabrication and use of a test rig for obtaining elastomer dynamic test data over a wide range of frequencies, amplitudes, and preloads; and (3) the reduction of the test data, by means of a selected three-element elastomer model and specialized curve fitting techniques, to material properties. Material constants thus obtained have been used to calculate stiffness and damping for comparison with measured test data. These comparisons are excellent for a number of test conditions and only fair to poor for others. The results confirm the validity of the basic approach of the overall program and the mechanics of the cataloging procedure, and at the same time suggest areas in which refinements should be made.

Chairside CAD/CAM materials. Part 1: Measurement of elastic constants and microstructural characterization.

PubMed

Belli, Renan; Wendler, Michael; de Ligny, Dominique; Cicconi, Maria Rita; Petschelt, Anselm; Peterlik, Herwig; Lohbauer, Ulrich

2017-01-01

A deeper understanding of the mechanical behavior of dental restorative materials requires an insight into the materials elastic constants and microstructure. Here we aim to use complementary methodologies to thoroughly characterize chairside CAD/CAM materials and discuss the benefits and limitations of different analytical strategies. Eight commercial CAM/CAM materials, ranging from polycrystalline zirconia (e.max ZirCAD, Ivoclar-Vivadent), reinforced glasses (Vitablocs Mark II, VITA; Empress CAD, Ivoclar-Vivadent) and glass-ceramics (e.max CAD, Ivoclar-Vivadent; Suprinity, VITA; Celtra Duo, Dentsply) to hybrid materials (Enamic, VITA; Lava Ultimate, 3M ESPE) have been selected. Elastic constants were evaluated using three methods: Resonant Ultrasound Spectroscopy (RUS), Resonant Beam Technique (RBT) and Ultrasonic Pulse-Echo (PE). The microstructures were characterized using Scanning Electron Microscopy (SEM), Energy Dispersive X-ray Spectroscopy (EDX), Raman Spectroscopy and X-ray Diffraction (XRD). Young's modulus (E), Shear modulus (G), Bulk modulus (B) and Poisson's ratio (ν) were obtained for each material. E and ν reached values ranging from 10.9 (Lava Ultimate) to 201.4 (e.max ZirCAD) and 0.173 (Empress CAD) to 0.47 (Lava Ultimate), respectively. RUS showed to be the most complex and reliable method, while the PE method the easiest to perform but most unreliable. All dynamic methods have shown limitations in measuring the elastic constants of materials showing high damping behavior (hybrid materials). SEM images, Raman spectra and XRD patterns were made available for each material, showing to be complementary tools in the characterization of their crystal phases. Here different methodologies are compared for the measurement of elastic constants and microstructural characterization of CAD/CAM restorative materials. The elastic properties and crystal phases of eight materials are herein fully characterized. Copyright © 2016 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Thermodynamic properties of PbTe, PbSe, and PbS: a first-principles study

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

Zhang, Yi; Ke, Xuezhi; Chen, Changfeng

2009-01-01

The recent discovery of novel lead chalcogenide-based thermoelectric materials has attracted great interest. These materials exhibit low thermal conductivity which is closely related to their lattice dynamics and thermodynamic properties. In this paper, we report a systematic study of electronic structures and lattice dynamics of the lead chalcogenides PbX (X=Te, Se, S) using first-principles density functional theory calculations and a direct force-constant method. We calculate the struc- tural parameters, elastic moduli, electronic band structures, dielectric constants, and Born effective charges. Moreover, we determine phonon dispersions, phonon density of states, and phonon softening modes in these materials. Based on the resultsmore » of these calculations, we further employ quasihar- monic approximation to calculate the heat capacity, internal energy, and vibrational entropy. The obtained results are in good agreement with experimental data. Lattice thermal conductivities are evaluated in terms of the Gruneisen parameters. The mode Gruneisen parameters are calculated to explain the anharmonicity in these materials. The effect of the spin-orbit interaction is found to be negligible in determining the thermodynamic properties of PbTe, PbSe, and PbS.« less

Constraining Bulk Densities of Near-Earth Asteroid Surfaces from Radar Observations Using Laboratory Measurements of Permittivity

NASA Astrophysics Data System (ADS)

Hickson, D. C.; Boivin, A.; Daly, M. G.; Ghent, R. R.; Nolan, M. C.; Tait, K.; Cunje, A.; Tsai, C. A.

2017-12-01

Planetary radar is widely used to survey the Near-Earth Asteroid (NEA) population and can provide insight into target shapes, sizes, and spin states. The dual-polarization reflectivity is sensitive to surface roughness as well as material properties, specifically the real part of the complex permittivity, or dielectric constant. Knowledge of the behavior of the dielectric constant of asteroid regolith analogue material with environmental parameters can be used to inversely solve for such parameters, such as bulk density, from radar observations. In this study laboratory measurements of the complex permittivity of powdered aluminum oxide and dunite samples are performed in a low-pressure environment chamber using a coaxial transmission line from roughly 1 GHz to 8.5 GHz. The bulk densities of the samples are varied across the measurements by incrementally adding silica aerogel, a low-density material with a very low dielectric constant. This allows the alteration of the proportions of void space to solid particle grains to achieve microgravity-relevant porosities without significantly altering the dielectric properties of the powder sample. The data are then modeled using various electromagnetic mixing equations to characterize the change in dielectric constant with increasing volume fractions of void space (decreasing bulk density). Using spectral analogues as constraints on the composition of NEAs allows us to calculate the range in bulk densities in the near surface of NEAs that have been observed by planetary radar. Utilizing existing radar data from Arecibo Observatory we calculate the bulk density in the near-surface on (101955) Bennu, the target of NASA's OSIRIS-Rex mission, to be ρ = 1.27 ± 0.33 g cm-3 based on an average of the likely range in particle density and dielectric constant of the regolith material.

Ion-Containing Polymers: Ionomers.

ERIC Educational Resources Information Center

Bazuin, C. G.; Eisenberg, A.

1981-01-01

Demonstrates how the incorporation of relatively low amounts of ionic material into nonionic polymers affects the structure and properties of these polymers. The extent to which properties are altered depends on dielectric constant of the backbone, position and type of ionic group, counterion type, ion concentration, and degree of neutralization.…

Ferroelectric, elastic, piezoelectric, and dielectric properties of Ba(Ti0.7Zr0.3)O3-x(Ba0.82Ca0.18)TiO3 Pb-free ceramics

NASA Astrophysics Data System (ADS)

Yuan, Ruihao; Xue, Deqing; Zhou, Yumei; Ding, Xiangdong; Sun, Jun; Xue, Dezhen

2017-07-01

We designed and synthesized a pseudo-binary Pb-free system, Ba(Ti0.7Zr0.3)O3-x(Ba0.82Ca0.18)TiO3, by combining a rhombohedral end (with only cubic to rhombohedral ferroelectric phase transition) and a tetragonal end (with only cubic to tetragonal ferroelectric phase transition). The established composition-temperature phase diagram is characterized by a tricritical point type morphotropic phase boundary (MPB), and the MPB composition has better ferroelectric, piezoelectric, and dielectric properties than the compositions deviating from MPB. Moreover, a full set of material constants (including elastic stiffness constants, elastic compliance constants, piezoelectric constants, dielectric constants, and electromechanical coupling factors) of the MPB composition are determined using a resonance method. The good piezoelectric performance of the MPB composition can be ascribed to the high dielectric constants, elastic softening, and large electromechanical coupling factor.

Directionally Solidified Eutectic Ceramics for Multifunctional Aerospace Applications

DTIC Science & Technology

2013-01-01

eutectic materials development through a new initiative entitled Boride Eutectic Project. These results first time organize and populate materials...property databases, and utilize an iterative feedback routine to constantly improve the design process of the boride eutectics LaB6-MeB2 (Me = Zr, Hf, Ti

Study of vibrational modes and specific heat of wurtzite phase of BN

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

Singh, Daljit, E-mail: daljit.jt@gmail.com; Sinha, M. M.

2016-05-06

In these days of nanotechnology the materials like BN is of utmost importance as in hexagonal phase it is among hardest materials. The phonon mode study of the materials is most important factor to find structural and thermodynamcal properties. To study the phonons de launey angular force (DAF) constant model is best suited as it involves many particle interactions. Therefore in this presentation we have studied the lattice dynamical properties and specific heat of BN in wurtzite phase using DAF model. The obtained results are in excellent agreement with existing results.

Effects of Chemistry and Processing on the Fracture Related Properties of P/M Alloy CT91.

DTIC Science & Technology

1985-08-01

Paris- Erdogan equation [151]. da/dN = AAk’ (8) where A and m are material constants. Stage II is generally characterized by a continuum mechanism...1. Paris and Erdogan [151] da/dN = CAKm (15) where da/dN = crack growth per cycle C, m = material constants AK = stress intensity parameter range The...extensometer was placed on two strips of masking tape to avoid notching the specimen and was carefully attached by two springs. A plastic bag was placed

The electrical properties and glass transition of some dental materials after temperature exposure.

PubMed

Marcinkowska, Agnieszka; Gauza-Wlodarczyk, Marlena; Kubisz, Leszek; Hedzelek, Wieslaw

2017-10-17

The physicochemical properties of dental materials will remain stable only when these materials in question are resistant to the changes in the oral cavity. The oral environment is subject to large temperature variations. The aim of the study was the assessment of electrical properties and glass transition of some dental materials after temperature exposure. Composite materials, compomers, materials for temporary prosthetic replacement and resin-based pit and fissure sealants were used in the study. The method used was electric conductivity of materials under changing temperature. The order of materials presenting the best characteristics for insulators was as follows: materials for temporary prosthetic replacement, resin-based pit and fissure sealants, composites, and compomers. Thanks to comparisons made between graphs during I and II heating run, the method could be used to observe changes in the heated material and determine whether the changes observed are reversible or permanent. The graphs also provided temperature values which contain information on glass transition during heating. In the oral cavity the effect of the constant temperature stimulus influences maturity of dental materials and improves their properties. But high temperatures over glass transition temperature can cause irreversible deformation and changes of the materials properties, even in a short time.

Modelling of the acid-base properties of natural and synthetic adsorbent materials used for heavy metal removal from aqueous solutions.

PubMed

Pagnanelli, Francesca; Vegliò, Francesco; Toro, Luigi

2004-02-01

In this paper a comparison about kinetic behaviour, acid-base properties and copper removal capacities was carried out between two different adsorbent materials used for heavy metal removal from aqueous solutions: an aminodiacetic chelating resin as commercial product (Lewatit TP207) and a lyophilised bacterial biomass of Sphaerotilus natans. The acid-base properties of a S. natans cell suspension were well described by simplified mechanistic models without electrostatic corrections considering two kinds of weakly acidic active sites. In particular the introduction of two-peak distribution function for the proton affinity constants allows a better representation of the experimental data reproducing the site heterogeneity. A priori knowledge about resin functional groups (aminodiacetic groups) is the base for preliminary simulations of titration curve assuming a Donnan gel structure for the resin phase considered as a concentrated aqueous solution of aminodiacetic acid (ADA). Departures from experimental and simulated data can be interpreted by considering the heterogeneity of the functional groups and the effect of ionic concentration in the resin phase. Two-site continuous model describes adequately the experimental data. Moreover the values of apparent protonation constants (as adjustable parameters found by non-linear regression) are very near to the apparent constants evaluated by a Donnan model assuming the intrinsic constants in resin phase equal to the equilibrium constants in aqueous solution of ADA and considering the amphoteric nature of active sites for the evaluation of counter-ion concentration in the resin phase. Copper removal outlined the strong affinity of the active groups of the resin for this ion in solution compared to the S. natans biomass according to the complexation constants between aminodiacetic and mono-carboxylic groups and copper ions.

Handbook of the Properties of Optical Materials

DTIC Science & Technology

1984-01-01

EFFECTIVE MASS - - MOBILITY - - A-2 ARSEWIC SELENIOE (As2 Se3 ) OPTICAL PROPERTIES TRANSMISSION RANGE: 9 - 11n Optical Absorption Coefficient = 0.079...of 55 KRS-5 as a function of wavelength. A-2120 ZINC SELENIOE ZnSe 0 STRUCTURE CRYSTALLINE SYMMETRY = Cubic, 43m LATTICE CONSTANTS (A) = a = 5.667

BOOK REVIEW: Heterogeneous Materials I and Heterogeneous Materials II

NASA Astrophysics Data System (ADS)

Knowles, K. M.

2004-02-01

In these two volumes the author provides a comprehensive survey of the various mathematically-based models used in the research literature to predict the mechanical, thermal and electrical properties of hetereogeneous materials, i.e., materials containing two or more phases such as fibre-reinforced polymers, cast iron and porous ceramic kiln furniture. Volume I covers linear properties such as linear dielectric constant, effective electrical conductivity and elastic moduli, while Volume II covers nonlinear properties, fracture and atomistic and multiscale modelling. Where appropriate, particular attention is paid to the use of fractal geometry and percolation theory in describing the structure and properties of these materials. The books are advanced level texts reflecting the research interests of the author which will be of significant interest to research scientists working at the forefront of the areas covered by the books. Others working more generally in the field\

A DFT study on structural, vibrational properties, and quasiparticle band structure of solid nitromethane.

PubMed

Appalakondaiah, S; Vaitheeswaran, G; Lebègue, S

2013-05-14

We report a detailed theoretical study of the structural and vibrational properties of solid nitromethane using first principles density functional calculations. The ground state properties were calculated using a plane wave pseudopotential code with either the local density approximation, the generalized gradient approximation, or with a correction to include van der Waals interactions. Our calculated equilibrium lattice parameters and volume using a dispersion correction are found to be in reasonable agreement with the experimental results. Also, our calculations reproduce the experimental trends in the structural properties at high pressure. We found a discontinuity in the bond length, bond angles, and also a weakening of hydrogen bond strength in the pressure range from 10 to 12 GPa, picturing the structural transition from phase I to phase II. Moreover, we predict the elastic constants of solid nitromethane and find that the corresponding bulk modulus is in good agreement with experiments. The calculated elastic constants show an order of C11> C22 > C33, indicating that the material is more compressible along the c-axis. We also calculated the zone center vibrational frequencies and discuss the internal and external modes of this material under pressure. From this, we found the softening of lattice modes around 8-11 GPa. We have also attempted the quasiparticle band structure of solid nitromethane with the G0W0 approximation and found that nitromethane is an indirect band gap insulator with a value of the band gap of about 7.8 eV with G0W0 approximation. Finally, the optical properties of this material, namely the absorptive and dispersive part of the dielectric function, and the refractive index and absorption spectra are calculated and the contribution of different transition peaks of the absorption spectra are analyzed. The static dielectric constant and refractive indices along the three inequivalent crystallographic directions indicate that this material has a considerable optical anisotropy.

Electronic transport in two-dimensional high dielectric constant nanosystems

DOE PAGES

Ortuño, M.; Somoza, A. M.; Vinokur, V. M.; ...

2015-04-10

There has been remarkable recent progress in engineering high-dielectric constant two dimensional (2D) materials, which are being actively pursued for applications in nanoelectronics in capacitor and memory devices, energy storage, and high-frequency modulation in communication devices. Yet many of the unique properties of these systems are poorly understood and remain unexplored. Here we report a numerical study of hopping conductivity of the lateral network of capacitors, which models two-dimensional insulators, and demonstrate that 2D long-range Coulomb interactions lead to peculiar size effects. We find that the characteristic energy governing electronic transport scales logarithmically with either system size or electrostatic screeningmore » length depending on which one is shorter. Our results are relevant well beyond their immediate context, explaining, for example, recent experimental observations of logarithmic size dependence of electric conductivity of thin superconducting films in the critical vicinity of superconductor-insulator transition where a giant dielectric constant develops. Our findings mark a radical departure from the orthodox view of conductivity in 2D systems as a local characteristic of materials and establish its macroscopic global character as a generic property of high-dielectric constant 2D nanomaterials.« less

Electronic transport in two-dimensional high dielectric constant nanosystems.

PubMed

Ortuño, M; Somoza, A M; Vinokur, V M; Baturina, T I

2015-04-10

There has been remarkable recent progress in engineering high-dielectric constant two dimensional (2D) materials, which are being actively pursued for applications in nanoelectronics in capacitor and memory devices, energy storage, and high-frequency modulation in communication devices. Yet many of the unique properties of these systems are poorly understood and remain unexplored. Here we report a numerical study of hopping conductivity of the lateral network of capacitors, which models two-dimensional insulators, and demonstrate that 2D long-range Coulomb interactions lead to peculiar size effects. We find that the characteristic energy governing electronic transport scales logarithmically with either system size or electrostatic screening length depending on which one is shorter. Our results are relevant well beyond their immediate context, explaining, for example, recent experimental observations of logarithmic size dependence of electric conductivity of thin superconducting films in the critical vicinity of superconductor-insulator transition where a giant dielectric constant develops. Our findings mark a radical departure from the orthodox view of conductivity in 2D systems as a local characteristic of materials and establish its macroscopic global character as a generic property of high-dielectric constant 2D nanomaterials.

Optical method for determining the mechanical properties of a material

DOEpatents

Maris, H.J.; Stoner, R.J.

1998-12-01

Disclosed is a method for characterizing a sample, comprising the steps of: (a) acquiring data from the sample using at least one probe beam wavelength to measure, for times less than a few nanoseconds, a change in the reflectivity of the sample induced by a pump beam; (b) analyzing the data to determine at least one material property by comparing a background signal component of the data with data obtained for a similar delay time range from one or more samples prepared under conditions known to give rise to certain physical and chemical material properties; and (c) analyzing a component of the measured time dependent reflectivity caused by ultrasonic waves generated by the pump beam using the at least one determined material property. The first step of analyzing may include a step of interpolating between reference samples to obtain an intermediate set of material properties. The material properties may include sound velocity, density, and optical constants. In one embodiment, only a correlation is made with the background signal, and at least one of the structural phase, grain orientation, and stoichiometry is determined. 14 figs.

Optical method for determining the mechanical properties of a material

DOEpatents

Maris, Humphrey J.; Stoner, Robert J.

1998-01-01

Disclosed is a method for characterizing a sample, comprising the steps of: (a) acquiring data from the sample using at least one probe beam wavelength to measure, for times less than a few nanoseconds, a change in the reflectivity of the sample induced by a pump beam; (b) analyzing the data to determine at least one material property by comparing a background signal component of the data with data obtained for a similar delay time range from one or more samples prepared under conditions known to give rise to certain physical and chemical material properties; and (c) analyzing a component of the measured time dependent reflectivity caused by ultrasonic waves generated by the pump beam using the at least one determined material property. The first step of analyzing may include a step of interpolating between reference samples to obtain an intermediate set of material properties. The material properties may include sound velocity, density, and optical constants. In one embodiment, only a correlation is made with the background signal, and at least one of the structural phase, grain orientation, and stoichiometry is determined.

A Proposed Method for the Computer-aided Discovery and Design of High-strength, Ductile Metals

NASA Astrophysics Data System (ADS)

Winter, Ian Stewart

Gum Metal, a class of Ti-Nb alloys, has generated a great deal of interest in the metallurgical community since its development in 2003. These alloys display numerous novel and anomalous properties, many of which only occur after severe plastic deformation has been incurred on the material. Such properties include: super-elasticity, super-coldworkability, Invar and Elinvar behavior, high ductility, as well as high strength. The high strength of gum metal has generated particular enthusiasm as it is on the order of the predicted ideal strength of the material. Many of the properties of gum metal appear to be a direct result of tuning the composition to be near an elastic instability resulting in a high degree of elastic anisotropy. This presents an opportunity for the computer-aided discovery and design of structural materials as the ideal strength and elastic anisotropy can be approximated from the elastic constants. Two approaches are described for searching for this high ansitropy. In the first, The possibility of forming gum metal in Mg is explored by tuning the material to be near the BCC-HCP transition either by pressure or alloying with Li. The second makes use of the Materials Project's elastic constants database, which contains thousands of ordered compounds, in order to screen for gum metal candidates. By defining an elastic anisotropy parameter consistent with the behavior of gum metal and calculating it for all cubic materials in the elastic constants database several gum metal candidates are found. In order to better assess their candidacy information on the intrinsic ductility of these materials is necessary. A method is proposed for calculating the ideal strength and deformation mode of a solid solution from first-principles. In order to validate this method the intrinsic ductile-to-brittle transition composition of Ti-V systems is calculated. It is further shown that this method can be applied to the calculation of an ideal tensile yield surface.

Reversible dielectric property degradation in moisture-contaminated fiber-reinforced laminates

NASA Astrophysics Data System (ADS)

Rodriguez, Luis A.; García, Carla; Fittipaldi, Mauro; Grace, Landon R.

2016-03-01

The potential for recovery of dielectric properties of three water-contaminated fiber-reinforced laminates is investigated using a split-post dielectric resonant technique at X-band (10 GHz). The three material systems investigated are bismaleimide (BMI) reinforced with an eight-harness satin weave quartz fabric, an epoxy resin reinforced with an eight- harness satin weave glass fabric (style 7781), and the same epoxy reinforced with a four-harness woven glass fabric (style 4180). A direct correlation between moisture content, dielectric constant, and loss tangent was observed during moisture absorption by immersion in distilled water at 25 °C for five equivalent samples of each material system. This trend is observed through at least 0.72% water content by weight for all three systems. The absorption of water into the BMI, 7781 epoxy, and 4180 epoxy laminates resulted in a 4.66%, 3.35%, and 4.01% increase in dielectric constant for a 0.679%, 0.608%, and 0.719% increase in water content by weight, respectively. Likewise, a significant increase was noticed in loss tangent for each material. The same water content is responsible for a 228%, 71.4%, and 64.1% increase in loss tangent, respectively. Subsequent to full desorption through drying at elevated temperature, the dielectric constant and loss tangent of each laminate exhibited minimal change from the dry, pre-absorption state. The dielectric constant and loss tangent change after the absorption and desorption cycle, relative to the initial state, was 0.144 % and 2.63% in the BMI, 0.084% and 1.71% in the style 7781 epoxy, and 0.003% and 4.51% in the style 4180 epoxy at near-zero moisture content. The similarity of dielectric constant and loss tangent in samples prior to absorption and after desorption suggests that any chemical or morphological changes induced by the presence of water have not caused irreversible changes in the dielectric properties of the laminates.

Elastic properties of sulphur and selenium doped ternary PbTe alloys by first principles

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

Bali, Ashoka, E-mail: rcmallik@physics.iisc.ernet.in; Chetty, Raju, E-mail: rcmallik@physics.iisc.ernet.in; Mallik, Ramesh Chandra, E-mail: rcmallik@physics.iisc.ernet.in

2014-04-24

Lead telluride (PbTe) is an established thermoelectric material which can be alloyed with sulphur and selenium to further enhance the thermoelectric properties. Here, a first principles study of ternary alloys PbS{sub x}Te{sub (1−x)} and PbSe{sub x}Te{sub (1−x)} (0≤x≤1) based on the Virtual Crystal Approximation (VCA) is presented for different ratios of the isoelectronic atoms in each series. Equilibrium lattice parameters and elastic constants have been calculated and compared with the reported data. Anisotropy parameter calculated from the stiffness constants showed a slight improvement in anisotropy of elastic properties of the alloys over undoped PbTe. Furthermore, the alloys satisfied the predictedmore » stability criteria from the elastic constants, showing stable structures, which agreed with the previously reported experimental results.« less

Variation in Pockels constants of silicate glass-ceramics prepared by perfect surface crystallization

NASA Astrophysics Data System (ADS)

Takano, Kazuya; Takahashi, Yoshihiro; Miyazaki, Takamichi; Terakado, Nobuaki; Fujiwara, Takumi

2018-01-01

We investigated the Pockels effect in polycrystalline materials consisting of highly oriented polar fresnoite-type Sr2TiSi2O8 fabricated using perfectly surface-crystallized glass-ceramics (PSC-GCs). The chemical composition of the precursor glass was shown to significantly affect the crystallized texture, e.g., the crystal orientation and appearance of amorphous nanoparasites in the domains, resulting in variations in the Pockels constants. Single crystals exhibiting spontaneous polarization possessed large structural anisotropy, leading to a strong dependence of the nonlinear-optical properties on the direction of polarized light. This study suggests that variations in the Pockels constants (r13 and r33) and tuning of the r13/r33 ratio can be realized in PSC-GC materials.

High-temperature material characterization for multispectral window

NASA Astrophysics Data System (ADS)

Park, James; Arida, Marvin-Ray; Ku, Zahyun; Jang, Woo-Yong; Urbas, Augustine M.

2017-05-01

A microwave cylindrical cavity combined with a laser has been investigated to characterize the temperature dependence of widow materials in the Air Force Research Laboratory (AFRL). This paper discusses the requirements of high temperature RF material characterizations for transparent ceramic materials, such as ALON, that can potentially be used for multispectral windows. The RF cylindrical resonator was designed and the numerical model was studied to characterize the dielectric constant of materials. The dielectric constant can be extracted from the resonant frequency shift based on the cavity perturbation method (CPM), which is sensitive to the sample size and shape. Laser heating was applied to the material under test (MUT), which could easily be heated above 1000°C by the laser irradiation, in order to conduct CPM at high temperature. The temperature distribution in a material was also analyzed to investigate the impact of the thermal properties and the sample shape.

Process Feasibility Study in Support of Silicon Material, Task 1

NASA Technical Reports Server (NTRS)

Li, K. Y.; Hansen, K. C.; Yaws, C. L.

1979-01-01

During this reporting period, major activies were devoted to process system properties, chemical engineering and economic analyses. Analyses of process system properties was continued for materials involved in the alternate processes under consideration for solar cell grade silicon. The following property data are reported for silicon tetrafluoride: critical constants, vapor pressure, heat of varporization, heat capacity, density, surface tension, viscosity, thermal conductivity, heat of formation and Gibb's free energy of formation. Chemical engineering analysis of the BCL process was continued with primary efforts being devoted to the preliminary process design. Status and progress are reported for base case conditions; process flow diagram; reaction chemistry; material and energy balances; and major process equipment design.

Nondestructive ultrasonic characterization of engineering materials

NASA Technical Reports Server (NTRS)

Salama, K.

1985-01-01

The development of an ultrasonic method for the nondestructive characterization of mechanical properties of engineering material is described. The method utilizes the nonlinearity parameter measurement which describes the anharmonic behavior of the solid through measurements of amplitudes of the fundamental and of the generated second harmonic ultrasonic waves. The nonlinearity parameter is also directly related to the acoustoelastic constant of the solid which can be determined by measuring the linear dependence of ultrasonic velocity on stress. A major advantage of measurements of the nonlinearity parameter over that of the acoustoelastic constant is that it may be determined without the application of stress on the material, which makes it more applicable for in-service nondestructive characterization. The relationships between the nonlinearity parameter of second-harmonic generation and the percentage of solid solution phase in engineering materials such as heat treatable aluminum alloys was established. The acoustoelastic constants are measured on these alloys for comparison and confirmation. A linear relationship between the nonlinearity parameter and the volume fraction of second phase precipitates in the alloys is indicated.

Nonmetallic materials handbook. Volume 2: Epoxy and silicone materials

NASA Technical Reports Server (NTRS)

Podlaseck, S. E.

1982-01-01

Chemical and physical property test data obtained during qualification and receiving inspection testing of nonmetallic materials for the Viking Mars Lander program is presented. Thermochemical data showing degradation as a function of temperature from room temperature through 773 K is included. These data include activation energies for thermal degradation, rate constants, and exo- and/or endotherms. Thermal degradations carried out under vacuum include mass spectral data taken simultaneously during the decomposition. Many materials have supporting data such as condensation rates of degassed products and isothermal weight loss. Changes in mechanical, electrical, and thermal properties after exposure to 408 K in nitrogen for times ranging from 380 to 570 hours are included for many materials.

Effects of synthesis techniques on chemical composition, microstructure and dielectric properties of Mg-doped calcium titanate

NASA Astrophysics Data System (ADS)

Jongprateep, Oratai; Sato, Nicha

2018-04-01

Calcium titanate (CaTiO3) has been recognized as a material for fabrication of dielectric components, owing to its moderate dielectric constant and excellent microwave response. Enhancement of dielectric properties of the material can be achieved through doping, compositional and microstructural control. This study, therefore, aimed at investigating effects of powder synthesis techniques on compositions, microstructure, and dielectric properties of Mg-doped CaTiO3. Solution combustion and solid-state reaction were powder synthesis techniques employed in preparation of undoped CaTiO3 and CaTiO3 doped with 5-20 at% Mg. Compositional analysis revealed that powder synthesis techniques did not exhibit a significant effect on formation of secondary phases. When Mg concentration did not exceed 5 at%, the powders prepared by both techniques contained only a single phase. An increase of MgO secondary phase was observed as Mg concentrations increased from 10 to 20 at%. Experimental results, on the contrary, revealed that powder synthesis techniques contributed to significant differences in microstructure. Solution combustion technique produced powders with finer particle sizes, which consequently led to finer grain sizes and density enhancement. High-density specimens with fine microstructure generally exhibit improved dielectric properties. Dielectric measurements revealed that dielectric constants of all samples ranged between 231 and 327 at 1 MHz, and that superior dielectric constants were observed in samples prepared by the solution combustion technique.

Mechanical Properties of Mass Concrete at Early Ages

DTIC Science & Technology

1991-08-01

I.............. 15 WES UMAT Time-Dependent Material Properties Model.........15: CHAPTER IV: EXPERIMENTAL PROGRAM.................................. 17...Equationi.......................................41 WES UMAT Creep, Eqtation .................................. 42 Bazant Sinh-Double Power Law...and All ......... 42 7 UMAT Creep Equation Coefficients for Mixtures A2 and All .... 43 8 SDPL Creep Constants for Mixtures A2 and All

Dielectric Properties of Ca0.7Bi0.3Ti0.7Cr0.3O3 (CBTC)-CaCu3Ti4O12 (CCTO) Composite

NASA Astrophysics Data System (ADS)

Mallmann, E. J. J.; Silva, M. A. S.; Sombra, A. S. B.; Botelho, M. A.; Mazzetto, S. E.; de Menezes, A. S.; Almeida, A. F. L.; Fechine, P. B. A.

2015-01-01

The main object of this work is to study two materials with giant dielectric constants: CaCu3Ti4O12 (CCTO) and Ca0.7Bi0.3Ti0.7Cr0.3O3 (CBTC). CBTC1- x -CCTO x composites were also obtained to create a new dielectric material with dielectric properties between these two phases. Structural properties were studied by x-ray powder diffraction (XRPD), Fourier transform infrared spectroscopy (FT-IR), Raman spectroscopy and dielectric measurements. CCTO showed a cubic phase and CBTC an orthorhombic phase. An interesting result was that the dielectric constant ( K) did not follow the rule of the mixture of Lichtnecker, and this happened due to the presence of other phases of its crystalline structure, which decreases the value of K when compared to the predicted values of Lichtnecker. It was also found that the dielectric properties of the composite are very promising for use in microelectronics, according to the miniaturization factor, which is crucial for those applications.

Changes Coming to the International System of Units

ERIC Educational Resources Information Center

Aubrecht, Gordon J., II

2012-01-01

The International System of Units (SI) is a coherent system based originally on measurements of properties of material objects. In more recent times, the adopted definitions depend on setting values of universal constants wherever possible. The last remaining human-made material object on which a standard is based is a platinum-iridium kilogram…

Mussel-inspired histidine-based transient network metal coordination hydrogels

PubMed Central

Fullenkamp, Dominic E.; He, Lihong; Barrett, Devin G.; Burghardt, Wesley R.; Messersmith, Phillip B.

2013-01-01

Transient network hydrogels cross-linked through histidine-divalent cation coordination bonds were studied by conventional rheologic methods using histidine-modified star poly(ethylene glycol) (PEG) polymers. These materials were inspired by the mussel, which is thought to use histidine-metal coordination bonds to impart self-healing properties in the mussel byssal thread. Hydrogel viscoelastic mechanical properties were studied as a function of metal, pH, concentration, and ionic strength. The equilibrium metal-binding constants were determined by dilute solution potentiometric titration of monofunctional histidine-modified methoxy-PEG and were found to be consistent with binding constants of small molecule analogs previously studied. pH-dependent speciation curves were then calculated using the equilibrium constants determined by potentiometric titration, providing insight into the pH dependence of histidine-metal ion coordination and guiding the design of metal coordination hydrogels. Gel relaxation dynamics were found to be uncorrelated with the equilibrium constants measured, but were correlated to the expected coordination bond dissociation rate constants. PMID:23441102

Moiré-pattern interlayer potentials in van der Waals materials in the random-phase approximation

NASA Astrophysics Data System (ADS)

Leconte, Nicolas; Jung, Jeil; Lebègue, Sébastien; Gould, Tim

2017-11-01

Stacking-dependent interlayer interactions are important for understanding the structural and electronic properties in incommensurable two-dimensional material assemblies where long-range moiré patterns arise due to small lattice constant mismatch or twist angles. Here we study the stacking-dependent interlayer coupling energies between graphene (G) and hexagonal boron nitride (BN) homo- and heterostructures using high-level random-phase approximation (RPA) ab initio calculations. Our results show that although total binding energies within LDA and RPA differ substantially by a factor of 200%-400%, the energy differences as a function of stacking configuration yield nearly constant values with variations smaller than 20%, meaning that LDA estimates are quite reliable. We produce phenomenological fits to these energy differences, which allows us to calculate various properties of interest including interlayer spacing, sliding energetics, pressure gradients, and elastic coefficients to high accuracy. The importance of long-range interactions (captured by RPA but not LDA) on various properties is also discussed. Parametrizations for all fits are provided.

Process modeling for carbon-phenolic nozzle materials

NASA Technical Reports Server (NTRS)

Letson, Mischell A.; Bunker, Robert C.; Remus, Walter M., III; Clinton, R. G.

1989-01-01

A thermochemical model based on the SINDA heat transfer program is developed for carbon-phenolic nozzle material processes. The model can be used to optimize cure cycles and to predict material properties based on the types of materials and the process by which these materials are used to make nozzle components. Chemical kinetic constants for Fiberite MX4926 were determined so that optimization of cure cycles for the current Space Shuttle Solid Rocket Motor nozzle rings can be determined.

Thermoelectric Properties and Hall Effect of Bi2Te3-xSex Polycrystalline Materials Prepared by a Hot Press Method

NASA Astrophysics Data System (ADS)

Yashima, Isamu; Watanave, Hiroshi; Ogisu, Takayasu; Tsukuda, Ryouma; Sato, Susumu

1998-05-01

Bi2Te3-xSex (0≦x<1) polycrystalline solids are prepared by a hot press method and their thermoelectric properties are studied. The samples show the maximum value of Z = 2.3×10-3 K-1 at x=0.22. The lattice thermal conductivity is smaller than that of a single crystal. The lattice constant and power factor decrease upon increasing the selenium substitution while thermal conductivity decreases for x values up to 0.33 and becomes constant for x values greater than 0.33.

Multi-Mode Analysis of Dual Ridged Waveguide Systems for Material Characterization

DTIC Science & Technology

2015-09-17

characterization is the process of determining the dielectric, magnetic, and magnetoelectric properties of a material. For simple (i.e., linear ...field expressions in terms of elementary functions (sines, cosines, exponentials and Bessel functions) and corresponding propagation constants of the...with material parameters 0 and µ0. • The MUT is simple ( linear , isotropic, homogeneous), and the sample has a uniform thickness. • The waveguide

An equivalent method of mixed dielectric constant in passive microwave/millimeter radiometric measurement

NASA Astrophysics Data System (ADS)

Su, Jinlong; Tian, Yan; Hu, Fei; Gui, Liangqi; Cheng, Yayun; Peng, Xiaohui

2017-10-01

Dielectric constant is an important role to describe the properties of matter. This paper proposes This paper proposes the concept of mixed dielectric constant(MDC) in passive microwave radiometric measurement. In addition, a MDC inversion method is come up, Ratio of Angle-Polarization Difference(RAPD) is utilized in this method. The MDC of several materials are investigated using RAPD. Brightness temperatures(TBs) which calculated by MDC and original dielectric constant are compared. Random errors are added to the simulation to test the robustness of the algorithm. Keywords: Passive detection, microwave/millimeter, radiometric measurement, ratio of angle-polarization difference (RAPD), mixed dielectric constant (MDC), brightness temperatures, remote sensing, target recognition.

Determination of the sonic properties of a Nigerian quartz for ultrasonic transducer.

PubMed

Nwadike, Uchechukwu I; Agwu, Kenneth K; Eze, Charles U; Kani, Duke; Agu, Gregory; Enwereuzo, Emmanuel; Obika, Mike; Umoh, Effiong; Ufomba, Emmanuel

2018-03-15

There is abundant quartz deposit in Nigeria which has been used for export and building purposes. However, its electrical and piezoelectric properties have not been studied. Thus, whether it can be used as raw material for the indigenous electric industries is unknown to date. This study aims to characterize the piezoelectric properties of smoky quartz for ultrasonic transducer and determine its sonic properties. In the research approach, the raw quartz was cut into six crystals of rectangular shape using a universal cutter. The crystals were purified with a 100 ml hydrofluoric and hydrochloric acid solution under a temperature of 250°C in a furnace. The sizes, weights, and capacitance of crystals were determined using the standard measuring instruments. The resonance method was used for the determination of the frequency of minimum and maximum impedance of the crystals. The piezoelectric constants of the crystals were derived using the standard formula for determination of piezoelectric constants. The results show that the sonic properties represented by the piezoelectric charge constant (d31) and the piezoelectric voltage constant (g31) values are 2.52 (±1.075) ×10-8c/m2 and 1030.6114 ± 250.89v/m2 respectively. The present study has characterized Nigerian quartz for its piezoelectric properties and found that it was suitable for use in the construction of ultrasonic transducers.

1200 and 1300 K slow plastic compression properties of Ni-50Al composites

NASA Technical Reports Server (NTRS)

Whittenberger, J. D.; Kumar, K. S.; Mannan, S. K.

1991-01-01

XD synthesis, powder blending, and hot pressing techniques have been utilized to produce NiAl composites containing 4, 7.5, 15, and 25 vol pct alumina whiskers and hybrid composite materials with 15 vol pct Al2O3 + 10 or 20 vol pct, nominally 1 micron TiB2 particles. The resistance to slow plastic flow was determined at 1200 and 1300 K via compression testing in air under constant velocity conditions. The stress-strain behavior of the intermetallic composites depended on the fraction of second phases where the 4 and 7.5 percent Al2O3 materials flowed at a nominally constant stress after about 2 percent deformation, while all the other composites exhibited diffuse yielding followed by strain softening. The flow stress-strain rate properties increased with volume fraction of Al2O3 whiskers except for the 4 and 7.5 percent materials, which had similar strengths. The hybrid composite NiAl + 15Al2O3 + 10TiB2 was substantially stronger than the materials simply containing alumina. Deformation in these composites can be described by the Kelly and Street model of creep in perfectly bonded, rigid, discontinuous fiber materials.

Hybrid bandgap engineering for super-hetero-epitaxial semiconductor materials, and products thereof

NASA Technical Reports Server (NTRS)

Park, Yeonjoon (Inventor); Choi, Sang H. (Inventor); King, Glen C. (Inventor); Elliott, James R. (Inventor)

2012-01-01

"Super-hetero-epitaxial" combinations comprise epitaxial growth of one material on a different material with different crystal structure. Compatible crystal structures may be identified using a "Tri-Unity" system. New bandgap engineering diagrams are provided for each class of combination, based on determination of hybrid lattice constants for the constituent materials in accordance with lattice-matching equations. Using known bandgap figures for previously tested materials, new materials with lattice constants that match desired substrates and have the desired bandgap properties may be formulated by reference to the diagrams and lattice matching equations. In one embodiment, this analysis makes it possible to formulate new super-hetero-epitaxial semiconductor systems, such as systems based on group IV alloys on c-plane LaF.sub.3; group IV alloys on c-plane langasite; Group III-V alloys on c-plane langasite; and group II-VI alloys on c-plane sapphire.

Synthesis, morphological, electromechanical characterization of (CaMgFex)Fe1-xTi3O12-δ/PDMS nanocomposite thin films for energy storage application

NASA Astrophysics Data System (ADS)

Tripathy, Ashis; Sharma, Priyaranjan; Sahoo, Narayan

2018-03-01

At the present time, flexible and stretchable electronics has intended to use the new cutting-edge technologies for advanced electronic application. Currently, Polymers are being employed for such applications but they are not effective due to their low dielectric constant. To enhance the dielectric properties of polymer for energy storage application, it is necessary to add ceramic material of high dielectric constant to synthesize a polymer-ceramic composite. Therefore, a novel attempt has been made to enhance the dielectric properties of the Polydimethylsiloxane (PDMS) polymer by adding (CaMgFex)Fe1-xTi3O12-δ(0 90%), which can make it a potential material for advanced flexible electronic devices, energy storage and biomedical applications.

Revisit of the relationship between the elastic properties and sound velocities at high pressures

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

Wang, Chenju; Yan, Xiaozhen; Institute of Atomic and Molecular Sciences, Sichuan University, Chengdu 610065

2014-09-14

The second-order elastic constants and stress-strain coefficients are defined, respectively, as the second derivatives of the total energy and the first derivative of the stress with respect to strain. Since the Lagrangian and infinitesimal strain are commonly used in the two definitions above, the second-order elastic constants and stress-strain coefficients are separated into two categories, respectively. In general, any of the four physical quantities is employed to characterize the elastic properties of materials without differentiation. Nevertheless, differences may exist among them at non-zero pressures, especially high pressures. Having explored the confusing issue systemically in the present work, we find thatmore » the four quantities are indeed different from each other at high pressures and these differences depend on the initial stress applied on materials. Moreover, the various relations between the four quantities depicting elastic properties of materials and high-pressure sound velocities are also derived from the elastic wave equations. As examples, we calculated the high-pressure sound velocities of cubic tantalum and hexagonal rhenium using these nexus. The excellent agreement of our results with available experimental data suggests the general applicability of the relations.« less

Multiferroic properties of Indian natural ilmenite

NASA Astrophysics Data System (ADS)

Acharya, Truptimayee; Choudhary, R. N. P.

2017-03-01

In this communication, the main results and analysis of extensive studies of electric and magnetic characteristics (relative dielectric constant, tangent loss, electric polarization, electric transport, impedance, magnetic polarization and magneto-electric coupling coefficient) of Indian natural ilmenite (NI) have been presented. Preliminary structural analysis was studied by Rietveld refinement of room temperature XRD data, which suggests the rhombohedral crystal system of NI. Maxwell-Wagner mechanism was used to explain the nature of the frequency dependence of the relative dielectric constant. The impedance analysis reveals that below 270 °C, only the bulk contributes, whereas at higher temperature, both grain boundary and the bulk contribute to the resistive characteristics of the material. The magnitude of the depression angles of the semicircles in the Nyquist plot has been estimated. The correlated barrier hopping model has been used to explain the frequency dependence of ac conductivity of the material. The activation energy of the compound has been estimated using the temperature dependence of dc conductivity plot. The obtained polarization hysteresis loops manifest improper ferroelectric behavior of NI. The existence M-H hysteresis loop supports anti-ferromagnetism in the studied material. The magneto-electric voltage coupling coefficient is found to be 0.7 mV/cm Oe. Hence, other than dielectric constant, electric polarization, magnetization and magneto-electric studies support the existence of multiferroic properties in NI.

Ultrasonic Determination of the Elastic Constants of Epoxy-natural Fiber Composites

NASA Astrophysics Data System (ADS)

Valencia, C. A. Meza; Pazos-Ospina, J. F.; Franco, E. E.; Ealo, Joao L.; Collazos-Burbano, D. A.; Garcia, G. F. Casanova

This paper shows the applications ultrasonic through-transmission technique to determine the elastic constants of two polymer-natural fiber composite materials with potential industrial application and economic and environmental advantages. The transversely isotropic coconut-epoxy and fique-epoxy samples were analyzed using an experimental setup which allows the sample to be rotated with respect to transducers faces and measures the time-of-flight at different angles of incidence. Then, the elastic properties of the material were obtained by fitting the experimental data to the Christoffel equation. Results show a good agreement between the measured elastic constants and the values predicted by an analytical model. The velocities as a function of the incidence angle are reported and the effect of the natural fiber on the stiffness of the composite is discussed.

Predicting elastic properties of β-HMX from first-principles calculations.

PubMed

Peng, Qing; Rahul; Wang, Guangyu; Liu, Gui-Rong; Grimme, Stefan; De, Suvranu

2015-05-07

We investigate the performance of van der Waals (vdW) functions in predicting the elastic constants of β cyclotetramethylene tetranitramine (HMX) energetic molecular crystals using density functional theory (DFT) calculations. We confirm that the accuracy of the elastic constants is significantly improved using the vdW corrections with environment-dependent C6 together with PBE and revised PBE exchange-correlation functionals. The elastic constants obtained using PBE-D3(0) calculations yield the most accurate mechanical response of β-HMX when compared with experimental stress-strain data. Our results suggest that PBE-D3 calculations are reliable in predicting the elastic constants of this material.

The analytical representation of viscoelastic material properties using optimization techniques

NASA Technical Reports Server (NTRS)

Hill, S. A.

1993-01-01

This report presents a technique to model viscoelastic material properties with a function of the form of the Prony series. Generally, the method employed to determine the function constants requires assuming values for the exponential constants of the function and then resolving the remaining constants through linear least-squares techniques. The technique presented here allows all the constants to be analytically determined through optimization techniques. This technique is employed in a computer program named PRONY and makes use of commercially available optimization tool developed by VMA Engineering, Inc. The PRONY program was utilized to compare the technique against previously determined models for solid rocket motor TP-H1148 propellant and V747-75 Viton fluoroelastomer. In both cases, the optimization technique generated functions that modeled the test data with at least an order of magnitude better correlation. This technique has demonstrated the capability to use small or large data sets and to use data sets that have uniformly or nonuniformly spaced data pairs. The reduction of experimental data to accurate mathematical models is a vital part of most scientific and engineering research. This technique of regression through optimization can be applied to other mathematical models that are difficult to fit to experimental data through traditional regression techniques.

Mechanical and Thermal Properties of Praseodymium Monopnictides: AN Ultrasonic Study

NASA Astrophysics Data System (ADS)

Bhalla, Vyoma; Kumar, Raj; Tripathy, Chinmayee; Singh, Devraj

2013-09-01

We have computed ultrasonic attenuation, acoustic coupling constants and ultrasonic velocities of praseodymium monopnictides PrX(X: N, P, As, Sb and Bi) along the <100>, <110>, <111> in the temperature range 100-500 K using higher order elastic constants. The higher order elastic constants are evaluated using Coulomb and Born-Mayer potential with two basic parameters viz. nearest-neighbor distance and hardness parameter in the temperature range of 0-500 K. Several other mechanical and thermal parameters like bulk modulus, shear modulus, Young's modulus, Poisson ratio, anisotropic ratio, tetragonal moduli, Breazeale's nonlinearity parameter and Debye temperature are also calculated. In the present study, the fracture/toughness (B/G) ratio is less than 1.75 which implies that PrX compounds are brittle in nature at room temperature. The chosen material fulfilled Born criterion of mechanical stability. We also found the deviation of Cauchy's relation at higher temperatures. PrN is most stable material as it has highest valued higher order elastic constants as well as the ultrasonic velocity. Further, the lattice thermal conductivity using modified approach of Slack and Berman is determined at room temperature. The ultrasonic attenuation due to phonon-phonon interaction and thermoelastic relaxation mechanisms have been computed using modified Mason's approach. The results with other well-known physical properties are useful for industrial applications.

Porous Materials with Ultralow Optical Constants for Integrated Optical Device Applications

NASA Astrophysics Data System (ADS)

Chen, Hsuen-Li; Hsieh, Chung-I; Cheng, Chao-Chia; Chang, Chia-Pin; Hsu, Wen-Hau; Wang, Way-Seen; Liu, Po-Tsun

2005-07-01

Ultralow dielectric constant (<2.0) porous materials have received much attention as next-generation dielectric materials. In this study, optical properties of porous-methyl-silsesquioxane(MSQ)-like films (porous polysilazane, PPSZ) were characterized for optical waveguide devices applications. Measured results indicate that the refractive index is decreased to approximately 1.320 as the hydration time exceeds 24 h. The measured refractive index is about 1.163 at a wavelength of 1550 nm. PPSZ films have low absorption in the 500 to 2000 nm wavelength regime. Because of their relatively low refractive index and low absorption over a large spectral regime, PPSZ films can be good cladding materials for use in optically integrated devices with many high-refractive-index materials such as silicon oxide, silicon nitride, silicon, and polymers. We demonstrate two structures, ridge waveguides and large-angle Y-branch power splitters, composed of PPSZ and SU8 films to illustrate the use of low dielectric constant (K) cladding materials. The simulation results indicate that the PPSZ films provide better confinement of light. Experimentally, a large-angle Y-branch power splitter with PPSZ cladding can be used to guide waves with the large branching angle of 33.58°.

Engineering and design properties of thallium-doped sodium iodide and selected properties of sodium-doped cesium iodide

NASA Technical Reports Server (NTRS)

Forrest, K.; Haehner, C.; Heslin, T.; Magida, M.; Uber, J.; Freiman, S.; Hicho, G.; Polvani, R.

1984-01-01

Mechanical and thermal properties, not available in the literature but necessary to structural design, using thallium doped sodium iodide and sodium doped cesium iodide were determined to be coefficient of linear thermal expansion, thermal conductivity, thermal shock resistance, heat capacity, elastic constants, ultimate strengths, creep, hardness, susceptibility to subcritical crack growth, and ingot variation of strength. These properties were measured for single and polycrystalline materials at room temperature.

Thermoelectric properties of non-stoichiometric lanthanum sulfides

NASA Technical Reports Server (NTRS)

Shapiro, E.; Danielson, L. R.

1983-01-01

The lanthanum sulfides are promising candidate materials for high-efficiency thermoelectric applications at temperatures up to 1300 C. The non-stoichiometric lanthanum sulfides (LaS(x), where x is in the range 1.33-1.50) appear to possess the most favorable thermoelectric properties. The Seebeck coefficient and resistivity vary significantly with composition, so that an optimum value of alpha sq/rho (where alpha is the Seebeck coefficient and rho is the resistivity) can be chosen. The thermal conductivity remains approximately constant with stoichiometry, so a material with an optimum value of alpha sq/rho should possess the optimum figure-of-merit. Data for the Seebeck coefficient and electrical resistivity of non-stoichiometric lanthanum sulfides will be pressed, together with structural properties of these materials.

Creep Behavior of ABS Polymer in Temperature-Humidity Conditions

NASA Astrophysics Data System (ADS)

An, Teagen; Selvaraj, Ramya; Hong, Seokmoo; Kim, Naksoo

2017-04-01

Acrylonitrile-Butadiene-Styrene (ABS), also known as a thermoplastic polymer, is extensively utilized for manufacturing home appliances products as it possess impressive mechanical properties, such as, resistance and toughness. However, the aforementioned properties are affected by operating temperature and atmosphere humidity due to the viscoelasticity property of an ABS polymer material. Moreover, the prediction of optimum working conditions are the little challenging task as it influences the final properties of product. This present study aims to develop the finite element (FE) models for predicting the creep behavior of an ABS polymeric material. In addition, the material constants, which represent the creep properties of an ABS polymer material, were predicted with the help of an interpolation function. Furthermore, a comparative study has been made with experiment and simulation results to verify the accuracy of developed FE model. The results showed that the predicted value from FE model could agree well with experimental data as well it can replicate the actual creep behavior flawlessly.

Influence of Chain Rigidity and Dielectric Constant on the Glass Transition Temperature in Polymerized Ionic Liquids

DOE PAGES

Bocharova, V.; Wojnarowska, Z.; Cao, Peng-Fei; ...

2017-11-28

Polymerized ionic liquids (PolyILs) are promising candidates for a wide range of technological applications due to their single ion conductivity and good mechanical properties. Tuning the glass transition temperature (T g) in these materials constitutes a major strategy to improve room temperature conductivity while controlling their mechanical properties. In this paper, we show experimental and simulation results demonstrating that in these materials T g does not follow a universal scaling behavior with the volume of the structural units V m (including monomer and counterion). Instead, T g is significantly influenced by the chain flexibility and polymer dielectric constant. We proposemore » a simplified empirical model that includes the electrostatic interactions and chain flexibility to describe T g in PolyILs. Finally, our model enables design of new functional PolyILs with the desired T g.« less

Measurement and analysis of critical crack tip processes during fatigue crack growth

NASA Technical Reports Server (NTRS)

Davidson, D. L.; Hudak, S. J.; Dexter, R. J.

1985-01-01

The mechanics of fatigue crack growth under constant-amplitudes and variable-amplitude loading were examined. Critical loading histories involving relatively simple overload and overload/underload cycles were studied to provide a basic understanding of the underlying physical processes controlling crack growth. The material used for this study was 7091-T7E69, a powder metallurgy aluminum alloy. Local crack-tip parameters were measured at various times before, during, and after the overloads, these include crack-tip opening loads and displacements, and crack-tip strain fields. The latter were useed, in combination with the materials cyclic and monotonic stress-strain properties, to compute crack-tip residual stresses. The experimental results are also compared with analytical predictions obtained using the FAST-2 computer code. The sensitivity of the analytical model to constant-amplitude fatigue crack growth rate properties and to through-thickness constrain are studied.

Influence of Chain Rigidity and Dielectric Constant on the Glass Transition Temperature in Polymerized Ionic Liquids

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

Bocharova, V.; Wojnarowska, Z.; Cao, Peng-Fei

Polymerized ionic liquids (PolyILs) are promising candidates for a wide range of technological applications due to their single ion conductivity and good mechanical properties. Tuning the glass transition temperature (T g) in these materials constitutes a major strategy to improve room temperature conductivity while controlling their mechanical properties. In this paper, we show experimental and simulation results demonstrating that in these materials T g does not follow a universal scaling behavior with the volume of the structural units V m (including monomer and counterion). Instead, T g is significantly influenced by the chain flexibility and polymer dielectric constant. We proposemore » a simplified empirical model that includes the electrostatic interactions and chain flexibility to describe T g in PolyILs. Finally, our model enables design of new functional PolyILs with the desired T g.« less

A facile growth mechanism, structural, optical, dielectric and electrical properties of ZnSe nanosphere via hydrothermal process

NASA Astrophysics Data System (ADS)

Javed, Qurat-Ul-Ain; Baqi, Sabah; Abbas, Hussain; Bibi, Maryam

2017-02-01

Hydrothermal method was chosen as a convenient method to fabricate zinc selenide (ZnSe) nanoparticle materials. The prepared nanospheres were characterized using X-ray diffraction (XRD) and scanning electron microscopy (SEM), where its different properties were observed using UV-visible spectroscopy and LCR meter. It was found that the pure ZnSe nanoparticles have a Zinc blende structure with crystallite size 10.91 nm and in a spherical form with average diameter of 35 nm (before sonication) and 18 nm (after sonication) with wide band gap of 4.28 eV. It was observed that there is inverse relation of frequency with dielectric constant and dielectric loss while AC conductivity grows up by increasing frequency. Such nanostructures were determined to be effectively used in optoelectronic devices as UV detector and in those devices where high-dielectric constant materials are required.

Electronic structure, mechanical and thermodynamic properties of BaPaO3 under pressure.

PubMed

Khandy, Shakeel Ahmad; Islam, Ishtihadah; Gupta, Dinesh C; Laref, Amel

2018-05-07

Density functional theory (DFT)-based investigations have been put forward on the elastic, mechanical, and thermo-dynamical properties of BaPaO 3 . The pressure dependence of electronic band structure and other physical properties has been carefully analyzed. The increase in Bulk modulus and decrease in lattice constant is seen on going from 0 to 30 GPa. The predicted lattice constants describe this material as anisotropic and ductile in nature at ambient conditions. Post-DFT calculations using quasi-harmonic Debye model are employed to envisage the pressure-dependent thermodynamic properties like Debye temperature, specific heat capacity, Grüneisen parameter, thermal expansion, etc. Also, the computed Debye temperature and melting temperature of BaPaO 3 at 0 K are 523 K and 1764.75 K, respectively.

First-principles calculations for elastic properties of OsB 2 under pressure

NASA Astrophysics Data System (ADS)

Yang, Jun-Wei; Chen, Xiang-Rong; Luo, Fen; Ji, Guang-Fu

2009-11-01

The structure, elastic properties and elastic anisotropy of orthorhombic OsB 2 are investigated by density functional theory method with the ultrasoft pseudopotential scheme in the frame of the generalized gradient approximation (GGA) as well as local density approximation (LDA). The obtained structural parameters, elastic constants, elastic anisotropy and Debye temperature for OsB 2 under pressure are consistent with the available experimental data and other theoretical results. It is found that the elastic constants, bulk modulus and Debye temperature of OsB 2 tend to increase with increasing pressure. It is predicted that OsB 2 is not a superhard material from our calculations.

Carbide-derived carbon (CDC) linear actuator properties in combination with conducting polymers

NASA Astrophysics Data System (ADS)

Kiefer, Rudolf; Aydemir, Nihan; Torop, Janno; Kilmartin, Paul A.; Tamm, Tarmo; Kaasik, Friedrich; Kesküla, Arko; Travas-Sejdic, Jadranka; Aabloo, Alvo

2014-03-01

Carbide-derived Carbon (CDC) material is applied for super capacitors due to their nanoporous structure and their high charging/discharging capability. In this work we report for the first time CDC linear actuators and CDC combined with polypyrrole (CDC-PPy) in ECMD (Electrochemomechanical deformation) under isotonic (constant force) and isometric (constant length) measurements in aqueous electrolyte. CDC-PPy actuators showing nearly double strain under cyclic voltammetric and square wave potential measurements in comparison to CDC linear actuators. The new material is investigated by SEM (scanning electron microscopy) and EDX (energy dispersive X-ray analysis) to reveal how the conducting polymer layer and the CDC layer interfere together.

Elastic and thermal properties of the layered thermoelectrics BiOCuSe and LaOCuSe

NASA Astrophysics Data System (ADS)

Saha, S. K.; Dutta, G.

2016-09-01

We determine the elastic properties of the layered thermoelectrics BiOCuSe and LaOCuSe using first-principles density functional theory calculations. To predict their stability, we calculate six distinct elastic constants, where all of them are positive, and suggest mechanically stable tetragonal crystals. As elastic properties relate to the nature and the strength of the chemical bond, the latter is analyzed by means of real-space descriptors, such as the electron localization function (ELF) and Bader charge. From elastic constants, a set of related properties, namely, bulk modulus, shear modulus, Young's modulus, sound velocity, Debye temperature, Grüneisen parameter, and thermal conductivity, are evaluated. Both materials are found to be ductile in nature and not brittle. We find BiOCuSe to have a smaller sound velocity and, hence, within the accuracy of the used Slack's model, a smaller thermal conductivity than LaOCuSe. Our calculations also reveal that the elastic properties and the related lattice thermal transport of both materials exhibit a much larger anisotropy than their electronic band properties that are known to be moderately anisotropic because of a moderate effective-electron-mass anisotropy. Finally, we determine the lattice dynamical properties, such as phonon dispersion, atomic displacement, and mode Grüneisen parameters, in order to correlate the elastic response, chemical bonding, and lattice dynamics.

Computational Materials Research

NASA Technical Reports Server (NTRS)

Hinkley, Jeffrey A. (Editor); Gates, Thomas S. (Editor)

1996-01-01

Computational Materials aims to model and predict thermodynamic, mechanical, and transport properties of polymer matrix composites. This workshop, the second coordinated by NASA Langley, reports progress in measurements and modeling at a number of length scales: atomic, molecular, nano, and continuum. Assembled here are presentations on quantum calculations for force field development, molecular mechanics of interfaces, molecular weight effects on mechanical properties, molecular dynamics applied to poling of polymers for electrets, Monte Carlo simulation of aromatic thermoplastics, thermal pressure coefficients of liquids, ultrasonic elastic constants, group additivity predictions, bulk constitutive models, and viscoplasticity characterization.

Effect of Fe3O4 addition on dielectric properties of LaFeO3 nano-crystalline materials synthesized by sol-gel method

NASA Astrophysics Data System (ADS)

Laysandra, H.; Triyono, D.

2017-04-01

Dielectric properties of nano-crystalline material LaFeO3.xFe3O4 with x = 0, 0.1, 0.2, 0.3, and 0.4 at.% have been studied by impedance spectroscopy method. LaFeO3 was synthesized by sol-gel method resulting nano-particle. Then, it was mixed with Fe3O4 powder. The mixture powder was pressed to form pellet and then sintered at 1300°C for 1 h to form nano-crystalline of LaFeO3.xFe3O4. X-ray diffraction characterization at room temperature for all samples show two phases i.e. perovskite LaFeO3 (orthorhombic) as a main phase and Fe3O4 (cubic) as second phase. It is found that the crystallite size of main phase increases with addition of Fe3O4 until 0.3 at.%. The electrical properties as a function of temperature (300-500 K) and frequency (100 Hz - 1 MHz) are presented in Nyquist and Bode plots. It is observed that from equivalent circuit and their parameters, dielectrical properties are contributed by grain and grain boundary. The dielectric constant, ε‧ were calculated by parallel plate method and their values reach up to 107 exhibiting typical colossal dielectric constant (CDC) material like behavior.

Optically controlled dielectric properties of single-walled carbon nanotubes for terahertz wave applications.

PubMed

Smirnov, Serguei; Anoshkin, Ilya V; Demchenko, Petr; Gomon, Daniel; Lioubtchenko, Dmitri V; Khodzitsky, Mikhail; Oberhammer, Joachim

2018-06-21

Materials with tunable dielectric properties are valuable for a wide range of electronic devices, but are often lossy at terahertz frequencies. Here we experimentally report the tuning of the dielectric properties of single-walled carbon nanotubes under light illumination. The effect is demonstrated by measurements of impedance variations at low frequency as well as complex dielectric constant variations in the wide frequency range of 0.1-1 THz by time domain spectroscopy. We show that the dielectric constant is significantly modified for varying light intensities. The effect is also practically applied to phase shifters based on dielectric rod waveguides, loaded with carbon nanotube layers. The carbon nanotubes are used as tunable impedance surface controlled by light illumination, in the frequency range of 75-500 GHz. These results suggest that the effect of dielectric constant tuning with light, accompanied by low transmission losses of the carbon nanotube layer in such an ultra-wide band, may open up new directions for the design and fabrication of novel Terahertz and optoelectronic devices.

Modeling of the solution interaction properties of plastic materials used in pharmaceutical product container systems.

PubMed

Jenke, Dennis; Couch, Tom; Gillum, Amy; Sadain, Salma

2009-01-01

Material/water equilibrium binding constants (Eb) were determined for 14 organic solutes and 17 plastic raw materials that could be used in pharmaceutical product container systems. Correlations between the measured binding constants and the organic solute's octanol/water and hexane/water partition coefficients were obtained. In general, while the materials examined exhibited a wide range of binding characteristics, the tested materials by and large fell within two broad classes: (1) those that were octanol-like in their binding characteristics, and (2) those that were hexane-like. Materials of the same class (e.g., polypropylenes) generally had binding models that were very similar. Rank ordering of the materials in terms of their magnitude of drug binding (least binding to most binding) was as follows: polypropylene < polyethylene < polyamide < styrene-ethylene-butylene-styrene < copolyester ether elastomer approximately equal to amine-terminated poly fatty acid amide polymer. The utilization of the developed models to estimate drug loss via sorption by the container is discussed.

Structural and electronic properties of high pressure phases of lead chalcogenides

NASA Astrophysics Data System (ADS)

Petersen, John; Scolfaro, Luisa; Myers, Thomas

2012-10-01

Lead chalcogenides, most notably PbTe and PbSe, have become an active area of research due to their thermoelectric properties. The high figure of merit (ZT) of these materials has brought much attention to them, due to their ability to convert waste heat into electricity. Variation in synthesis conditions gives rise to a need for analysis of structural and thermoelectric properties of these materials at different pressures. In addition to the NaCl structure at ambient conditions, lead chalcogenides have a dynamic orthorhombic (Pnma) intermediate phase and a higher pressure yet stable CsCl phase. By altering the lattice constant, we simulate the application of external pressure; this has notable effects on ground state total energy, band gap, and structural phase. Using the General Gradient Approximation (GGA) in Density Functional Theory (DFT), we calculate the phase transition pressures by finding the differences in enthalpy from total energy calculations. For each phase, elastic constants, bulk modulus, shear modulus, Young's modulus, and hardness are calculated, using two different approaches. In addition to structural properties, we analyze the band structure and density of states at varying pressures, paying special note to thermoelectric implications.

Brillouin light scattering studies on the mechanical properties of ultrathin, porous low-K dielectric films

NASA Astrophysics Data System (ADS)

Zhou, Wei; Sooryakumar, R.; King, Sean

2010-03-01

Low K dielectrics have predominantly replaced silicon dioxide as the interlayer dielectric material for interconnects in state of the art integrated circuits. To further reduce interconnect resistance-capacitance (RC) delays, additional reductions in the K for these low-K materials is being pursued by the introduction of controlled levels of porosity. The main challenge for porous low-K dielectrics is the substantial reduction in mechanical properties that is accompanied by the increased pore volume content needed to reduce K. We report on the application of the nondestructive Brillouin light scattering technique to monitor and characterize the mechanical properties of these porous films at thicknesses well below 200 nm that are pertinent to present applications. Observation of longitudinal and transverse standing wave acoustic resonances and the dispersion that accompany their transformation into traveling waves with finite in-plane wave vectors provides for the principal elastic constants that completely characterize the mechanical properties of these porous films. The mode amplitudes of the standing waves, their variation within the film, and the calculated Brillouin intensities account for most aspects of the spectra. The resulting elastic constants are compared with corresponding values obtained from other experimental techniques.

Rapid-Rate Compression Testing of Sheet Materials at High Temperatures

NASA Technical Reports Server (NTRS)

Bernett, E. C.; Gerberich, W. W.

1961-01-01

This Report describes the test equipment that was developed and the procedures that were used to evaluate structural sheet-material compression properties at preselected constant strain rates and/or loads. Electrical self-resistance was used to achieve a rapid heating rate of 200 F/sec. Four materials were tested at maximum temperatures which ranged from 600 F for the aluminum alloy to 2000 F for the Ni-Cr-Co iron-base alloy. Tests at 0.1, 0.001, and 0.00001 in./in./sec showed that strain rate has a major effect on the measured strength, especially at the high temperatures. The tests, under conditions of constant temperature and constant compression stress, showed that creep deformation can be a critical factor even when the time involved is on the order of a few seconds or less. The theoretical and practical aspects of rapid-rate compression testing are presented, and suggestions are made regarding possible modifications of the equipment which would improve the over-all capabilities.

Comparisons of Hamaker constants for ceramic systems with intervening vacuum or water: From force laws and physical properties

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

Ackler, H.D.; Chiang, Y.M.; French, R.H.

1996-05-10

Van der Waals dispersive forces produce attractive interactions between bodies, playing an important role in many material systems influencing colloidal and emulsion stability, wetting behavior, and intergranular forces in glass-ceramic systems. It is of technological importance to accurately quantify these interactions, conveniently represented by the Hamaker constant, A. To set the current level of accuracy for determining A, they were calculated from Lifshitz theory using full spectral data for muscovite mica, Al{sub 2}O{sub 3}, SiO{sub 2}, Si{sub 3}N{sub 4}, and rutile TiO{sub 2}, separated by vacuum or water. These were compared to Hamaker constants calculated from physical properties using themore » Tabor-Winterton approximation, a single oscillator model, a multiple oscillator model, and A`s calculated using force vs separation data from surface force apparatus and atomic force microscope studies. For materials with refractive indices between 1.4 and 1.8 separated by vacuum, all methods produce similar values, but for indices larger than 1.8 separated by vacuum, and any of these materials separated by water, results span a broader range. The present level of accuracy for the determination of Hamaker constants, here taken to be represented by the level of agreement between various methods, ranges from about 10% for the case of SiO{sub 2}/vacuum/SiO{sub 2} and TiO{sub 2}/water/TiO{sub 2} to a factor of approximately 7 for mica/water/mica.« less

Applying a Bayesian Approach to Identification of Orthotropic Elastic Constants from Full Field Displacement Measurements

NASA Astrophysics Data System (ADS)

Gogu, C.; Yin, W.; Haftka, R.; Ifju, P.; Molimard, J.; Le Riche, R.; Vautrin, A.

2010-06-01

A major challenge in the identification of material properties is handling different sources of uncertainty in the experiment and the modelling of the experiment for estimating the resulting uncertainty in the identified properties. Numerous improvements in identification methods have provided increasingly accurate estimates of various material properties. However, characterizing the uncertainty in the identified properties is still relatively crude. Different material properties obtained from a single test are not obtained with the same confidence. Typically the highest uncertainty is associated with respect to properties to which the experiment is the most insensitive. In addition, the uncertainty in different properties can be strongly correlated, so that obtaining only variance estimates may be misleading. A possible approach for handling the different sources of uncertainty and estimating the uncertainty in the identified properties is the Bayesian method. This method was introduced in the late 1970s in the context of identification [1] and has been applied since to different problems, notably identification of elastic constants from plate vibration experiments [2]-[4]. The applications of the method to these classical pointwise tests involved only a small number of measurements (typically ten natural frequencies in the previously cited vibration test) which facilitated the application of the Bayesian approach. For identifying elastic constants, full field strain or displacement measurements provide a high number of measured quantities (one measurement per image pixel) and hence a promise of smaller uncertainties in the properties. However, the high number of measurements represents also a major computational challenge in applying the Bayesian approach to full field measurements. To address this challenge we propose an approach based on the proper orthogonal decomposition (POD) of the full fields in order to drastically reduce their dimensionality. POD is based on projecting the full field images on a modal basis, constructed from sample simulations, and which can account for the variations of the full field as the elastic constants and other parameters of interest are varied. The fidelity of the decomposition depends on the number of basis vectors used. Typically even complex fields can be accurately represented with no more than a few dozen modes and for our problem we showed that only four or five modes are sufficient [5]. To further reduce the computational cost of the Bayesian approach we use response surface approximations of the POD coefficients of the fields. We show that 3rd degree polynomial response surface approximations provide a satisfying accuracy. The combination of POD decomposition and response surface methodology allows to bring down the computational time of the Bayesian identification to a few days. The proposed approach is applied to Moiré interferometry full field displacement measurements from a traction experiment on a plate with a hole. The laminate with a layup of [45,- 45,0]s is made out of a Toray® T800/3631 graphite/epoxy prepreg. The measured displacement maps are provided in Figure 1. The mean values of the identified properties joint probability density function are in agreement with previous identifications carried out on the same material. Furthermore the probability density function also provides the coefficient of variation with which the properties are identified as well as the correlations between the various properties. We find that while the longitudinal Young’s modulus is identified with good accuracy (low standard deviation), the Poisson’s ration is identified with much higher uncertainty. Several of the properties are also found to be correlated. The identified uncertainty structure of the elastic constants (i.e. variance co-variance matrix) has potential benefits to reliability analyses, by allowing a more accurate description of the input uncertainty. An additional advantage of the Bayesian approach is that it provides a natural way (in the form of the prior probability density function) for accounting for prior information that may be available on the material properties thought. This is of great interest for reducing the uncertainty on properties that can only be determined with low confidence from the plate with a hole experiment, such as Poisson’s ratio or transverse Young’s modulus in our case.

A Reliability Comparison of Classical and Stochastic Thickness Margin Approaches to Address Material Property Uncertainties for the Orion Heat Shield

NASA Technical Reports Server (NTRS)

Sepka, Steve; Vander Kam, Jeremy; McGuire, Kathy

2018-01-01

The Orion Thermal Protection System (TPS) margin process uses a root-sum-square approach with branches addressing trajectory, aerothermodynamics, and material response uncertainties in ablator thickness design. The material response branch applies a bond line temperature reduction between the Avcoat ablator and EA9394 adhesive by 60 C (108 F) from its peak allowed value of 260 C (500 F). This process is known as the Bond Line Temperature Material Margin (BTMM) and is intended to cover material property and performance uncertainties. The value of 60 C (108 F) is a constant, applied at any spacecraft body location and for any trajectory. By varying only material properties in a random (monte carlo) manner, the perl-based script mcCHAR is used to investigate the confidence interval provided by the BTMM. In particular, this study will look at various locations on the Orion heat shield forebody for a guided and an abort (ballistic) trajectory.

The effect of hot isostatic pressing parameters on microstructure and mechanical properties of Eurofer powder HIPed material

NASA Astrophysics Data System (ADS)

Gentzbittel, J. M.; Chu, I.; Burlet, H.

2002-12-01

The production of reduced activation ferritic/martensitic (RAFM) steel by powder metallurgy and high isostatic pressing (HIP) offers numerous advantages for different nuclear applications. The objective of this work is to optimise the Eurofer powder HIP process in order to obtain RAFM solid HIPed steel with similar mechanical properties to those of a forged material. Starting from the forged solid Eurofer steel batch, the material is atomized and the Eurofer powder is characterized in terms of granulometry, chemical composition, surface oxides, etc. Different compaction HIP cycle parameters in the temperature range (950-1100 °C) are tested. The chemical composition of the HIPed material is comparable to the initial forged Eurofer. All the obtained materials are fully dense and the microstructure of the compacted material is well martensitic. The prior austenite grain size seems to be constant in this temperature range. The mechanical tests performed at room temperature reveal acceptable hardness, tensile and Charpy impact properties regarding the ITER specification.

A Reliability Comparison of Classical and Stochastic Thickness Margin Approaches to Address Material Property Uncertainties for the Orion Heat Shield

NASA Technical Reports Server (NTRS)

Sepka, Steven A.; McGuire, Mary Kathleen; Vander Kam, Jeremy C.

2018-01-01

The Orion Thermal Protection System (TPS) margin process uses a root-sum-square approach with branches addressing trajectory, aerothermodynamics, and material response uncertainties in ablator thickness design. The material response branch applies a bondline temperature reduction between the Avcoat ablator and EA9394 adhesive by 60 C (108 F) from its peak allowed value of 260 C (500 F). This process is known as the Bond Line Temperature Material Margin (BTMM) and is intended to cover material property and performance uncertainties. The value of 60 C (108 F) is a constant, applied at any spacecraft body location and for any trajectory. By varying only material properties in a random (monte carlo) manner, the perl-based script mcCHAR is used to investigate the confidence interval provided by the BTMM. In particular, this study will look at various locations on the Orion heat shield forebody for a guided and an abort (ballistic) trajectory.

Averaging of elastic constants for polycrystals

DOE PAGES

Blaschke, Daniel N.

2017-10-13

Many materials of interest are polycrystals, i.e., aggregates of single crystals. Randomly distributed orientations of single crystals lead to macroscopically isotropic properties. Here in this paper, we briefly review strategies of calculating effective isotropic second and third order elastic constants from the single crystal ones. Our main emphasis is on single crystals of cubic symmetry. Specifically, the averaging of third order elastic constants has not been particularly successful in the past, and discrepancies have often been attributed to texturing of polycrystals as well as to uncertainties in the measurement of elastic constants of both poly and single crystals. While thismore » may well be true, we also point out here shortcomings in the theoretical averaging framework.« less

Transversely Isotropic Hyperelastic Constitutive Model of Short Fiber Reinforced EPDM Based on Tensor Function

NASA Astrophysics Data System (ADS)

Feng, Q. L.; Li, C.; Liao, Y. F.

2017-12-01

Short fiber reinforced EPDM is a new kind of composite material used in solid rocket motor winding and coating. It has relatively large deformation under the small stress condition, and the physical non-linear characteristic is obvious. Due to the addition of fiber in the specific direction of the rubber, the macroscopic mechanical properties are expressed as transversely isotropic properties. In order to describe the mechanical behavior under the impact and vibration, the transversely isotropic hyperelastic constitutive model based on tensor function is proposed. The symmetry of the transversely isotropic incompressible material limits the stress tensor ‘ K ’ to be characterized as a function of 5 tensor invariants and 4 scalar invariants. The third power constitutive equations of the model give 12 independent elastic constants of the transversely isotropic nonlinear elastic material. The experimental results show that the non-zero elastic constants are different in the fiber direction and at the different strain rate. Number and value of adiabatic layer and related products R & D has a reference value.

A flexible insulator of a hollow SiO2 sphere and polyimide hybrid for flexible OLEDs.

PubMed

Kim, Min Kyu; Kim, Dong Won; Shin, Dong Wook; Seo, Sang Joon; Chung, Ho Kyoon; Yoo, Ji Beom

2015-01-28

The fabrication of interlayer dielectrics (ILDs) in flexible organic light-emitting diodes (OLEDs) not only requires flexible materials with a low dielectric constant, but also ones that possess the electrical, thermal, chemical, and mechanical properties required for optimal device performance. Porous polymer-silica hybrid materials were prepared to satisfy these requirements. Hollow SiO2 spheres were synthesized using atomic layer deposition (ALD) and a thermal calcination process. The hybrid film, which consists of hollow SiO2 spheres and polyimide, shows a low dielectric constant of 1.98 and excellent thermal stability up to 500 °C. After the bending test for 50 000 cycles, the porous hybrid film exhibits no degradation in its dielectric constant or leakage current. These results indicate that the hybrid film made up of hollow SiO2 spheres and polyimide (PI) is useful as a flexible insulator with a low dielectric constant and high thermal stability for flexible OLEDs.

Constitutive relations in multidimensional isotropic elasticity and their restrictions to subspaces of lower dimensions

NASA Astrophysics Data System (ADS)

Georgievskii, D. V.

2017-07-01

The mechanical meaning and the relationships among material constants in an n-dimensional isotropic elastic medium are discussed. The restrictions of the constitutive relations (Hooke's law) to subspaces of lower dimension caused by the conditions that an m-dimensional strain state or an m-dimensional stress state (1 ≤ m < n) is realized in the medium. Both the terminology and the general idea of the mathematical construction are chosen by analogy with the case n = 3 and m = 2, which is well known in the classical plane problem of elasticity theory. The quintuples of elastic constants of the same medium that enter both the n-dimensional relations and the relations written out for any m-dimensional restriction are expressed in terms of one another. These expressions in terms of the known constants, for example, of a three-dimensional medium, i.e., the classical elastic constants, enable us to judge the material properties of this medium immersed in a space of larger dimension.

The effect of cross linking density on the mechanical properties and structure of the epoxy polymers: molecular dynamics simulation.

PubMed

Shokuhfar, Ali; Arab, Behrouz

2013-09-01

Recently, great attention has been focused on using epoxy polymers in different fields such as aerospace, automotive, biotechnology, and electronics, owing to their superior properties. In this study, the classical molecular dynamics (MD) was used to simulate the cross linking of diglycidyl ether of bisphenol-A (DGEBA) with diethylenetriamine (DETA) curing agent, and to study the behavior of resulted epoxy polymer with different conversion rates. The constant-strain (static) approach was then applied to calculate the mechanical properties (Bulk, shear and Young's moduli, elastic stiffness constants, and Poisson's ratio) of the uncured and cross-linked systems. Estimated material properties were found to be in good agreement with experimental observations. Moreover, the dependency of mechanical properties on the cross linking density was investigated and revealed improvements in the mechanical properties with increasing the cross linking density. The radial distribution function (RDF) was also used to study the evolution of local structures of the simulated systems as a function of cross linking density.

Characterization of basic physical properties of Sb 2Se 3 and its relevance for photovoltaics

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

Chen, Chao; Bobela, David C.; Yang, Ye

Antimony selenide (Sb 2Se 3) is a promising absorber material for thin film photovoltaics because of its attractive material, optical and electrical properties. In recent years, the power conversion efficiency (PCE) of Sb 2Se 3 thin film solar cells has gradually enhanced to 5.6%. In this article, we systematically studied the basic physical properties of Sb 2Se 3 such as dielectric constant, anisotropic mobility, carrier lifetime, diffusion length, defect depth, defect density and optical band tail states. Here, we believe such a comprehensive characterization of the basic physical properties of Sb 2Se 3 lays a solid foundation for further optimizationmore » of solar device performance.« less

Characterization of basic physical properties of Sb 2Se 3 and its relevance for photovoltaics

DOE PAGES

Chen, Chao; Bobela, David C.; Yang, Ye; ...

2017-03-17

Antimony selenide (Sb 2Se 3) is a promising absorber material for thin film photovoltaics because of its attractive material, optical and electrical properties. In recent years, the power conversion efficiency (PCE) of Sb 2Se 3 thin film solar cells has gradually enhanced to 5.6%. In this article, we systematically studied the basic physical properties of Sb 2Se 3 such as dielectric constant, anisotropic mobility, carrier lifetime, diffusion length, defect depth, defect density and optical band tail states. Here, we believe such a comprehensive characterization of the basic physical properties of Sb 2Se 3 lays a solid foundation for further optimizationmore » of solar device performance.« less

Frequency response of a supported thermocouple wire: Effects of axial conduction

NASA Technical Reports Server (NTRS)

Forney, L. J.; Meeks, E. L.; Fralick, G. C.

1991-01-01

Theoretical expressions are derived for the steady-state frequency response of a supported thermocouple wire. In particular, the effects of axial heat conduction are demonstrated for both a supported one material wire and a two material wire with unequal material properties across the junction. For the case of a one material supported wire, an exact solution is derived which compares favorably with an approximate expression that only matches temperatures at the support junction. Moreover, for the case of a two material supported wire, an analytical expression is derived that closely correlates numerical results. Experimental data were taken with a type K supported thermocouple. The test thermocouple was constructed with dimensions to demonstrate the effects of axial heat conduction assuming constant physical properties across the junction.

Theoretical and Numerical Approaches for Determining the Reflection and Transmission Coefficients of OPEFB-PCL Composites at X-Band Frequencies

PubMed Central

Ahmad, Ahmad F.; Abbas, Zulkifly; Obaiys, Suzan J.; Ibrahim, Norazowa; Hashim, Mansor; Khaleel, Haider

2015-01-01

Bio-composites of oil palm empty fruit bunch (OPEFB) fibres and polycaprolactones (PCL) with a thickness of 1 mm were prepared and characterized. The composites produced from these materials are low in density, inexpensive, environmentally friendly, and possess good dielectric characteristics. The magnitudes of the reflection and transmission coefficients of OPEFB fibre-reinforced PCL composites with different percentages of filler were measured using a rectangular waveguide in conjunction with a microwave vector network analyzer (VNA) in the X-band frequency range. In contrast to the effective medium theory, which states that polymer-based composites with a high dielectric constant can be obtained by doping a filler with a high dielectric constant into a host material with a low dielectric constant, this paper demonstrates that the use of a low filler percentage (12.2%OPEFB) and a high matrix percentage (87.8%PCL) provides excellent results for the dielectric constant and loss factor, whereas 63.8% filler material with 36.2% host material results in lower values for both the dielectric constant and loss factor. The open-ended probe technique (OEC), connected with the Agilent vector network analyzer (VNA), is used to determine the dielectric properties of the materials under investigation. The comparative approach indicates that the mean relative error of FEM is smaller than that of NRW in terms of the corresponding S21 magnitude. The present calculation of the matrix/filler percentages endorses the exact amounts of substrate utilized in various physics applications. PMID:26474301

First-principles calculations of the structural, electronic, optical and thermal properties of the BNxAs1-x alloys

NASA Astrophysics Data System (ADS)

Hamioud, L.; Boumaza, A.; Touam, S.; Meradji, H.; Ghemid, S.; El Haj Hassan, F.; Khenata, R.; Omran, S. Bin

2016-06-01

The present paper aims to study the structural, electronic, optical and thermal properties of the boron nitride (BN) and BAs bulk materials as well as the BNxAs1-x ternary alloys by employing the full-potential-linearised augmented plane wave method within the density functional theory. The structural properties are determined using the Wu-Cohen generalised gradient approximation that is based on the optimisation of the total energy. For band structure calculations, both the Wu-Cohen generalised gradient approximation and the modified Becke-Johnson of the exchange-correlation energy and potential, respectively, are used. We investigated the effect of composition on the lattice constants, bulk modulus and band gap. Deviations of the lattice constants and the bulk modulus from the Vegard's law and the linear concentration dependence, respectively, were observed for the alloys where this result allows us to explain some specific behaviours in the electronic properties of the alloys. For the optical properties, the calculated refractive indices and the optical dielectric constants were found to vary nonlinearly with the N composition. Finally, the thermal effect on some of the macroscopic properties was predicted using the quasi-harmonic Debye model in which the lattice vibrations are taken into account.

New dielectric elastomers with improved properties for energy harvesting and actuation

NASA Astrophysics Data System (ADS)

Stiubianu, George; Bele, Adrian; Tugui, Codrin; Musteata, Valentina

2015-02-01

New materials with large value for dielectric constant were obtained by using siloxane and chemically modified lignin. The modified lignin does not act as a stiffening filler material for the siloxane but acts as bulk filler, preserving the softness and low value of Young's modulus specific for silicones. The measured values for dielectric constant compare positively with the ones for previously tested dielectric elastomers based on siloxane rubber or acrylic rubber loaded with ceramic nanoparticles. The new materials use the well-known silicone chemistry and lignin which is available worldwide in large amounts as a by-product of pulp and paper industry, making its manufacturing affordable. The prepared dielectric elastomers were tested for possible applications for wave, wind and kinetic body motion energy harvesting. Siloxane, lignin, dielectric

Holmium hafnate: An emerging electronic device material

NASA Astrophysics Data System (ADS)

Pavunny, Shojan P.; Sharma, Yogesh; Kooriyattil, Sudheendran; Dugu, Sita; Katiyar, Rajesh K.; Scott, James F.; Katiyar, Ram S.

2015-03-01

We report structural, optical, charge transport, and temperature properties as well as the frequency dependence of the dielectric constant of Ho2Hf2O7 (HHO) which make this material desirable as an alternative high-k dielectric for future silicon technology devices. A high dielectric constant of ˜20 and very low dielectric loss of ˜0.1% are temperature and voltage independent at 100 kHz near ambient conditions. The Pt/HHO/Pt capacitor exhibits exceptionally low Schottky emission-based leakage currents. In combination with the large observed bandgap Eg of 5.6 eV, determined by diffuse reflectance spectroscopy, our results reveal fundamental physics and materials science of the HHO metal oxide and its potential application as a high-k dielectric for the next generation of complementary metal-oxide-semiconductor devices.

Analytical scanning evanescent microwave microscope and control stage

DOEpatents

Xiang, Xiao-Dong; Gao, Chen; Duewer, Fred; Yang, Hai Tao; Lu, Yalin

2013-01-22

A scanning evanescent microwave microscope (SEMM) that uses near-field evanescent electromagnetic waves to probe sample properties is disclosed. The SEMM is capable of high resolution imaging and quantitative measurements of the electrical properties of the sample. The SEMM has the ability to map dielectric constant, loss tangent, conductivity, electrical impedance, and other electrical parameters of materials. Such properties are then used to provide distance control over a wide range, from to microns to nanometers, over dielectric and conductive samples for a scanned evanescent microwave probe, which enable quantitative non-contact and submicron spatial resolution topographic and electrical impedance profiling of dielectric, nonlinear dielectric and conductive materials. The invention also allows quantitative estimation of microwave impedance using signals obtained by the scanned evanescent microwave probe and quasistatic approximation modeling. The SEMM can be used to measure electrical properties of both dielectric and electrically conducting materials.

Analytical scanning evanescent microwave microscope and control stage

DOEpatents

Xiang, Xiao-Dong; Gao, Chen; Duewer, Fred; Yang, Hai Tao; Lu, Yalin

2009-06-23

A scanning evanescent microwave microscope (SEMM) that uses near-field evanescent electromagnetic waves to probe sample properties is disclosed. The SEMM is capable of high resolution imaging and quantitative measurements of the electrical properties of the sample. The SEMM has the ability to map dielectric constant, loss tangent, conductivity, electrical impedance, and other electrical parameters of materials. Such properties are then used to provide distance control over a wide range, from to microns to nanometers, over dielectric and conductive samples for a scanned evanescent microwave probe, which enable quantitative non-contact and submicron spatial resolution topographic and electrical impedance profiling of dielectric, nonlinear dielectric and conductive materials. The invention also allows quantitative estimation of microwave impedance using signals obtained by the scanned evanescent microwave probe and quasistatic approximation modeling. The SEMM can be used to measure electrical properties of both dielectric and electrically conducting materials.

Noncontact conductivity and dielectric measurement for high throughput roll-to-roll nanomanufacturing

NASA Astrophysics Data System (ADS)

Orloff, Nathan D.; Long, Christian J.; Obrzut, Jan; Maillaud, Laurent; Mirri, Francesca; Kole, Thomas P.; McMichael, Robert D.; Pasquali, Matteo; Stranick, Stephan J.; Alexander Liddle, J.

2015-11-01

Advances in roll-to-roll processing of graphene and carbon nanotubes have at last led to the continuous production of high-quality coatings and filaments, ushering in a wave of applications for flexible and wearable electronics, woven fabrics, and wires. These applications often require specific electrical properties, and hence precise control over material micro- and nanostructure. While such control can be achieved, in principle, by closed-loop processing methods, there are relatively few noncontact and nondestructive options for quantifying the electrical properties of materials on a moving web at the speed required in modern nanomanufacturing. Here, we demonstrate a noncontact microwave method for measuring the dielectric constant and conductivity (or geometry for samples of known dielectric properties) of materials in a millisecond. Such measurement times are compatible with current and future industrial needs, enabling real-time materials characterization and in-line control of processing variables without disrupting production.

Numerical homogenization of elastic and thermal material properties for metal matrix composites (MMC)

NASA Astrophysics Data System (ADS)

Schindler, Stefan; Mergheim, Julia; Zimmermann, Marco; Aurich, Jan C.; Steinmann, Paul

2017-01-01

A two-scale material modeling approach is adopted in order to determine macroscopic thermal and elastic constitutive laws and the respective parameters for metal matrix composite (MMC). Since the common homogenization framework violates the thermodynamical consistency for non-constant temperature fields, i.e., the dissipation is not conserved through the scale transition, the respective error is calculated numerically in order to prove the applicability of the homogenization method. The thermomechanical homogenization is applied to compute the macroscopic mass density, thermal expansion, elasticity, heat capacity and thermal conductivity for two specific MMCs, i.e., aluminum alloy Al2024 reinforced with 17 or 30 % silicon carbide particles. The temperature dependency of the material properties has been considered in the range from 0 to 500°C, the melting temperature of the alloy. The numerically determined material properties are validated with experimental data from the literature as far as possible.

Noncontact conductivity and dielectric measurement for high throughput roll-to-roll nanomanufacturing

PubMed Central

Orloff, Nathan D.; Long, Christian J.; Obrzut, Jan; Maillaud, Laurent; Mirri, Francesca; Kole, Thomas P.; McMichael, Robert D.; Pasquali, Matteo; Stranick, Stephan J.; Alexander Liddle, J.

2015-01-01

Advances in roll-to-roll processing of graphene and carbon nanotubes have at last led to the continuous production of high-quality coatings and filaments, ushering in a wave of applications for flexible and wearable electronics, woven fabrics, and wires. These applications often require specific electrical properties, and hence precise control over material micro- and nanostructure. While such control can be achieved, in principle, by closed-loop processing methods, there are relatively few noncontact and nondestructive options for quantifying the electrical properties of materials on a moving web at the speed required in modern nanomanufacturing. Here, we demonstrate a noncontact microwave method for measuring the dielectric constant and conductivity (or geometry for samples of known dielectric properties) of materials in a millisecond. Such measurement times are compatible with current and future industrial needs, enabling real-time materials characterization and in-line control of processing variables without disrupting production. PMID:26592441

A Microwave Thermostatic Reactor for Processing Liquid Materials Based on a Heat-Exchanger.

PubMed

Zhou, Yongqiang; Zhang, Chun; Xie, Tian; Hong, Tao; Zhu, Huacheng; Yang, Yang; Liu, Changjun; Huang, Kama

2017-10-08

Microwaves have been widely used in the treatment of different materials. However, the existing adjustable power thermostatic reactors cannot be used to analyze materials characteristics under microwave effects. In this paper, a microwave thermostatic chemical reactor for processing liquid materials is proposed, by controlling the velocity of coolant based on PLC (programmable logic controller) in different liquid under different constant electric field intensity. A nonpolar coolant (Polydimethylsiloxane), which is completely microwave transparent, is employed to cool the liquid materials. Experiments are performed to measure the liquid temperature using optical fibers, the results show that the precision of temperature control is at the range of ±0.5 °C. Compared with the adjustable power thermostatic control system, the effect of electric field changes on material properties are avoided and it also can be used to detect the properties of liquid materials and special microwave effects.

A Microwave Thermostatic Reactor for Processing Liquid Materials Based on a Heat-Exchanger

PubMed Central

Zhou, Yongqiang; Zhang, Chun; Xie, Tian; Hong, Tao; Yang, Yang; Liu, Changjun; Huang, Kama

2017-01-01

Microwaves have been widely used in the treatment of different materials. However, the existing adjustable power thermostatic reactors cannot be used to analyze materials characteristics under microwave effects. In this paper, a microwave thermostatic chemical reactor for processing liquid materials is proposed, by controlling the velocity of coolant based on PLC (programmable logic controller) in different liquid under different constant electric field intensity. A nonpolar coolant (Polydimethylsiloxane), which is completely microwave transparent, is employed to cool the liquid materials. Experiments are performed to measure the liquid temperature using optical fibers, the results show that the precision of temperature control is at the range of ±0.5 °C. Compared with the adjustable power thermostatic control system, the effect of electric field changes on material properties are avoided and it also can be used to detect the properties of liquid materials and special microwave effects. PMID:28991195

Through-the-Wall Small Weapon Detection Based on Polarimetric Radar Techniques

DTIC Science & Technology

2009-12-01

waves can penetrate through clothing (textile materials ), they have very poor penetration properties through many common construction materials (such...including the continuous metallic barrel ). Unless specified otherwise, the mesh has a resolution (cell size) of 2 mm. The wood dielectric constant...almost perpendicularly to the barrel ). Figure 2. Estimating the tilt angle of a cylindrical metallic rod of 1 m length

A calibration method for the higher modes of a micro-mechanical cantilever

NASA Astrophysics Data System (ADS)

Shatil, N. R.; Homer, M. E.; Picco, L.; Martin, P. G.; Payton, O. D.

2017-05-01

Micro-mechanical cantilevers are increasingly being used as a characterisation tool in both material and biological sciences. New non-destructive applications are being developed that rely on the information encoded within the cantilever's higher oscillatory modes, such as atomic force microscopy techniques that measure the non-topographic properties of a sample. However, these methods require the spring constants of the cantilever at higher modes to be known in order to quantify their results. Here, we show how to calibrate the micro-mechanical cantilever and find the effective spring constant of any mode. The method is uncomplicated to implement, using only the properties of the cantilever and the fundamental mode that are straightforward to measure.

Mechanical charactization of sonar window materials

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

DeTeresa, S.J.; Groves, S.E.; Harwood, P.J.

1996-03-25

The three-dimensional mechanical behavior of thick Spectra/epoxy sonar window materials containing various special materials is summarized in this report. Three different materials, which were fabricated by two companies known as `A` and `B` were received from the Naval Warfare Center. The three materials designated `A with microspheres (A micron),` `A without microspheres (A),` and `B` were measured for all properties. The total number of tests was reduced through the assumption that the two orthogonal, in-place directions were identical. Consequently, these materials should have only six independent elastic variables. The measured constants and strengths are given.

Low-Dielectric Constant Polyimide Nanoporous Films: Synthesis and Properties

NASA Astrophysics Data System (ADS)

Mehdipour-Ataei, S.; Rahimi, A.; Saidi, S.

2007-08-01

Synthesis of high temperature polyimide foams with pore sizes in the nanometer range was developed. Foams were prepared by casting graft copolymers comprising a thermally stable block as the matrix and a thermally labile material as the dispersed phase. Polyimides derived from pyromellitic dianhydride with new diamines (4BAP and BAN) were used as the matrix material and functionalized poly(propylene glycol) oligomers were used as a thermally labile constituent. Upon thermal treatment the labile blocks were subsequently removed leaving pores with the size and shape of the original copolymer morphology. The polyimides and foamed polyimides were characterized by some conventional methods including FTIR, H-NMR, DSC, TGA, SEM, TEM, and dielectric constant.

Periodic Inclusion—Matrix Microstructures with Constant Field Inclusions

NASA Astrophysics Data System (ADS)

Liu, Liping; James, Richard D.; Leo, Perry H.

2007-04-01

We find a class of special microstructures consisting of a periodic array of inclusions, with the special property that constant magnetization (or eigenstrain) of the inclusion implies constant magnetic field (or strain) in the inclusion. The resulting inclusions, which we term E-inclusions, have the same property in a finite periodic domain as ellipsoids have in infinite space. The E-inclusions are found by mapping the magnetostatic or elasticity equations to a constrained minimization problem known as a free-boundary obstacle problem. By solving this minimization problem, we can construct families of E-inclusions with any prescribed volume fraction between zero and one. In two dimensions, our results coincide with the microstructures first introduced by Vigdergauz,[1,2] while in three dimensions, we introduce a numerical method to calculate E-inclusions. E-inclusions extend the important role of ellipsoids in calculations concerning phase transformations and composite materials.

Simultaneous measurement of the maximum oscillation amplitude and the transient decay time constant of the QCM reveals stiffness changes of the adlayer.

PubMed

Marxer, C Galli; Coen, M Collaud; Bissig, H; Greber, U F; Schlapbach, L

2003-10-01

Interpretation of adsorption kinetics measured with a quartz crystal microbalance (QCM) can be difficult for adlayers undergoing modification of their mechanical properties. We have studied the behavior of the oscillation amplitude, A(0), and the decay time constant, tau, of quartz during adsorption of proteins and cells, by use of a home-made QCM. We are able to measure simultaneously the frequency, f, the dissipation factor, D, the maximum amplitude, A(0), and the transient decay time constant, tau, every 300 ms in liquid, gaseous, or vacuum environments. This analysis enables adsorption and modification of liquid/mass properties to be distinguished. Moreover the surface coverage and the stiffness of the adlayer can be estimated. These improvements promise to increase the appeal of QCM methodology for any applications measuring intimate contact of a dynamic material with a solid surface.

Hybrid nanomembrane-based capacitors for the determination of the dielectric constant of semiconducting molecular ensembles.

PubMed

Petrini, Paula A; Silva, Ricardo M L; de Oliveira, Rafael F; Merces, Leandro; Bof Bufon, Carlos C

2018-06-29

Considerable advances in the field of molecular electronics have been achieved over the recent years. One persistent challenge, however, is the exploitation of the electronic properties of molecules fully integrated into devices. Typically, the molecular electronic properties are investigated using sophisticated techniques incompatible with a practical device technology, such as the scanning tunneling microscopy. The incorporation of molecular materials in devices is not a trivial task as the typical dimensions of electrical contacts are much larger than the molecular ones. To tackle this issue, we report on hybrid capacitors using mechanically-compliant nanomembranes to encapsulate ultrathin molecular ensembles for the investigation of molecular dielectric properties. As the prototype material, copper (II) phthalocyanine (CuPc) has been chosen as information on its dielectric constant (k CuPc ) at the molecular scale is missing. Here, hybrid nanomembrane-based capacitors containing metallic nanomembranes, insulating Al 2 O 3 layers, and the CuPc molecular ensembles have been fabricated and evaluated. The Al 2 O 3 is used to prevent short circuits through the capacitor plates as the molecular layer is considerably thin (<30 nm). From the electrical measurements of devices with molecular layers of different thicknesses, the CuPc dielectric constant has been reliably determined (k CuPc  = 4.5 ± 0.5). These values suggest a mild contribution of the molecular orientation on the CuPc dielectric properties. The reported nanomembrane-based capacitor is a viable strategy for the dielectric characterization of ultrathin molecular ensembles integrated into a practical, real device technology.

Hybrid nanomembrane-based capacitors for the determination of the dielectric constant of semiconducting molecular ensembles

NASA Astrophysics Data System (ADS)

Petrini, Paula A.; Silva, Ricardo M. L.; de Oliveira, Rafael F.; Merces, Leandro; Bof Bufon, Carlos C.

2018-06-01

Considerable advances in the field of molecular electronics have been achieved over the recent years. One persistent challenge, however, is the exploitation of the electronic properties of molecules fully integrated into devices. Typically, the molecular electronic properties are investigated using sophisticated techniques incompatible with a practical device technology, such as the scanning tunneling microscopy. The incorporation of molecular materials in devices is not a trivial task as the typical dimensions of electrical contacts are much larger than the molecular ones. To tackle this issue, we report on hybrid capacitors using mechanically-compliant nanomembranes to encapsulate ultrathin molecular ensembles for the investigation of molecular dielectric properties. As the prototype material, copper (II) phthalocyanine (CuPc) has been chosen as information on its dielectric constant (k CuPc) at the molecular scale is missing. Here, hybrid nanomembrane-based capacitors containing metallic nanomembranes, insulating Al2O3 layers, and the CuPc molecular ensembles have been fabricated and evaluated. The Al2O3 is used to prevent short circuits through the capacitor plates as the molecular layer is considerably thin (<30 nm). From the electrical measurements of devices with molecular layers of different thicknesses, the CuPc dielectric constant has been reliably determined (k CuPc = 4.5 ± 0.5). These values suggest a mild contribution of the molecular orientation on the CuPc dielectric properties. The reported nanomembrane-based capacitor is a viable strategy for the dielectric characterization of ultrathin molecular ensembles integrated into a practical, real device technology.

Optimization of BI test parameters to investigate mechanical properties of Grade 92 steel

NASA Astrophysics Data System (ADS)

Barbadikar, Dipika R.; Vincent, S.; Ballal, Atul R.; Peshwe, Dilip R.; Mathew, M. D.

2018-04-01

The ball indentation (BI) testing is used to evaluate the tensile properties of materials namely yield strength, strength coefficient, ultimate tensile strength, and strain hardening exponent. The properties evaluated depend on a number of BI test parameters. These parameters include the material constants like yield slope (YS), constraint factor (CF), yield offset parameter (YOP). Number of loading/unloading cycles, preload, indenter size and depth of penetration of indenter also affects the properties. In present investigation the effect of these parameters on the stress-strain curve of normalized and tempered Grade 92 steel is evaluated. Grade 92 is a candidate material for power plant application over austenitic stainless steel and derives its strength from M23C6, MX precipitates and high dislocation density. CF, YS and YOP changed the strength properties considerably. Indenter size effect resulted in higher strength for smaller indenter. It is suggested to use larger indenter diameter and higher number of loading cycles for GRADE 92 steel to get best results using BI technique.

A superconducting battery material: Lithium gold boride (LiAu3B)

NASA Astrophysics Data System (ADS)

Aydin, Sezgin; Şimşek, Mehmet

2018-04-01

The superconducting and potential cathode material properties of ternary boride of LiAu3B have been investigated by density functional first principles. The Li-concentration effects on the actual electronic and structural properties, namely the properties of LixAu9B3 (x = 0, 1, 2) sub-systems are studied. It is remarkably shown that the existence of Li-atoms has no considerable effect on the structural properties of Au-B skeleton in LiAu3B. Then, it can be offered as a potential cathode material for Li-ion batteries with the very small volume deviation of 0.42%, and the suitable average open circuit voltage of ∼1.30 V. Furthermore, the vibrational and superconducting properties such as electron-phonon coupling constant (λ) and critical temperature (Tc) of LiAu3B are studied. The calculated results suggest that LiAu3B should be a superconductor with Tc ∼5.8 K, also.

Soft phononic crystals with deformation-independent band gaps

PubMed Central

2017-01-01

Soft phononic crystals have the advantages over their stiff counterparts of being flexible and reconfigurable. Normally, the band gaps of soft phononic crystals will be modified after deformation due to both geometric and constitutive nonlinearity. Indeed these are important properties that can be exploited to tune the dynamic properties of the material. However, in some instances, it may be that one wishes to deform the medium while retaining the band gap structure. A special class of soft phononic crystals is described here with band gaps that are independent or almost-independent of the imposed mechanical deformation, which enables the design of phononic crystals with robust performance. This remarkable behaviour originates from transformation elasticity theory, which leaves the wave equation and the eigenfrequencies invariant after deformation. The necessary condition to achieve such a property is that the Lagrangian elasticity tensor of the hyperelastic material should be constant, i.e. independent of deformation. It is demonstrated that incompressible neo-Hookean materials exhibit such a unique property. Semilinear materials also possess this property under special loading conditions. Phononic crystals composed of these two materials are studied theoretically and the predictions of invariance, or the manner in which the response deviates from invariance, are confirmed via numerical simulation. PMID:28484331

A classical mechanics model for the interpretation of piezoelectric property data

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

Bell, Andrew J., E-mail: a.j.bell@leeds.ac.uk

2015-12-14

In order to provide a means of understanding, the relationship between the primary electromechanical coefficients and simple crystal chemistry parameters for piezoelectric materials, a static analysis of a 3 atom, dipolar molecule has been undertaken to derive relationships for elastic compliance s{sup E}, dielectric permittivity ε{sup X}, and piezoelectric charge coefficient d in terms of an effective ionic charge and two inter-atomic force constants. The relationships demonstrate the mutual interdependence of the three coefficients, in keeping with experimental evidence from a large dataset of commercial piezoelectric materials. It is shown that the electromechanical coupling coefficient k is purely an expressionmore » of the asymmetry in the two force constants or bond compliances. The treatment is extended to show that the quadratic electrostriction relation between strain and polarization, in both centrosymmetric and non-centrosymmetric systems, is due to the presence of a non-zero 2nd order term in the bond compliance. Comparison with experimental data explains the counter-intuitive, positive correlation of k with s{sup E} and ε{sup X} and supports the proposition that high piezoelectric activity in single crystals is dominated by large compliance coupled with asymmetry in the sub-cell force constants. However, the analysis also shows that in polycrystalline materials, the dielectric anisotropy of the constituent crystals can be more important for attaining large charge coefficients. The model provides a completely new methodology for the interpretation of piezoelectric and electrostrictive property data and suggests methods for rapid screening for high activity in candidate piezoelectric materials, both experimentally and by novel interrogation of ab initio calculations.« less

High-resolution Earth-based lunar radar studies: Applications to lunar resource assessment

NASA Technical Reports Server (NTRS)

Stacy, N. J. S.; Campbell, D. B.

1992-01-01

The lunar regolith will most likely be a primary raw material for lunar base construction and resource extraction. High-resolution radar observations of the Moon provide maps of radar backscatter that have intensity variations generally controlled by the local slope, material, and structural properties of the regolith. The properties that can be measured by the radar system include the dielectric constant, density, loss tangent, and wavelength scale roughness. The radar systems currently in operation at several astronomical observatories provide the ability to image the lunar surface at spatial resolutions approaching 30 m at 3.8 cm and 12.6 cm wavelengths and approximately 500 m at 70 cm wavelength. The radar signal penetrates the lunar regolith to a depth of 10-20 wavelengths so the measured backscatter contains contributions from the vacuum-regolith interface and from wavelength-scale heterogeneities in the electrical properties of the subsurface material. The three wavelengths, which are sensitive to different scale structures and scattering volumes, provide complementary information on the regolith properties. Aims of the previous and future observations include (1) analysis of the scattering properties associated with fresh impact craters, impact crater rays, and mantled deposits; (2) analysis of high-incidence-angle observations of the lunar mare to investigate measurement of the regolith dielectric constant and hence porosity; (3) investigation of interferometric techniques using two time-delayed observations of the same site, observations that require a difference in viewing geometry less than 0.05 deg and, hence, fortuitous alignment of the Earth-Moon system when visible from Arecibo Observatory.

Mechanical properties of shape memory polymers for morphing aircraft applications

NASA Astrophysics Data System (ADS)

Keihl, Michelle M.; Bortolin, Robert S.; Sanders, Brian; Joshi, Shiv; Tidwell, Zeb

2005-05-01

This investigation addresses basic characterization of a shape memory polymer (SMP) as a suitable structural material for morphing aircraft applications. Tests were performed for monotonic loading in high shear at constant temperature, well below, or just above the glass transition temperature. The SMP properties were time-and temperature-dependent. Recovery by the SMP to its original shape needed to be unfettered. Based on the testing SMPs appear to be an attractive and promising component in the solution for a skin material of a morphing aircraft. Their multiple state abilities allow them to easily change shape and, once cooled, resist large loads.

Fabrication and characterization of thick-film piezoelectric lead zirconate titanate ceramic resonators by tape-casting.

PubMed

Qin, Lifeng; Sun, Yingying; Wang, Qing-Ming; Zhong, Youliang; Ou, Ming; Jiang, Zhishui; Tian, Wei

2012-12-01

In this paper, thick-film piezoelectric lead zirconate titanate (PZT) ceramic resonators with thicknesses down to tens of micrometers have been fabricated by tape-casting processing. PZT ceramic resonators with composition near the morphotropic phase boundary and with different dopants added were prepared for piezoelectric transducer applications. Material property characterization for these thick-film PZT resonators is essential for device design and applications. For the property characterization, a recently developed normalized electrical impedance spectrum method was used to determine the electromechanical coefficient and the complex piezoelectric, elastic, and dielectric coefficients from the electrical measurement of resonators using thick films. In this work, nine PZT thick-film resonators have been fabricated and characterized, and two different types of resonators, namely thickness longitudinal and transverse modes, were used for material property characterization. The results were compared with those determined by the IEEE standard method, and they agreed well. It was found that depending on the PZT formulation and dopants, the relative permittivities ε(T)(33)/ε(0) measured at 2 kHz for these thick-films are in the range of 1527 to 4829, piezoelectric stress constants (e(33) in the range of 15 to 26 C/m(2), piezoelectric strain constants (d(31)) in the range of -169 × 10(-12) C/N to -314 × 10(-12) C/N, electromechanical coupling coefficients (k(t)) in the range of 0.48 to 0.53, and k(31) in the range of 0.35 to 0.38. The characterization results shows tape-casting processing can be used to fabricate high-quality PZT thick-film resonators, and the extracted material constants can be used to for device design and application.

Study of influence of 2.4 GHz electromagnetic waves on electrophysical properties of coniferous trees wood

NASA Astrophysics Data System (ADS)

Abdurahimov, Nursulton; Lagunov, Alexey; Melehov, Vladimir

2017-09-01

Climate change has a significant impact on changing weather conditions in the Arctic. Wood is a traditional building material in the North of Russia. Supports of communication lines are made of wood. Dry wood is a solid dielectric with a low conductivity. At the same time it is porous material having high hygroscopicity. The presence of moisture leads to wood rotting. To prevent rotting of a support it needs to be impregnated with antiseptics. A tree dried by means of convection drying cannot provide required porosity of wood for impregnation. Our studies of electrophysical properties of coniferous species showed that microwave drying of wood increases the porosity of the wood. Wood dried in this way is easily impregnated with antiseptics. Thorough wood drying requires creating optimal conditions in a microwave oven. During the drying process in a chamber there is a resonant phenomenon. These phenomena depend on electro-physical properties of the material placed in the chamber. Dielectric constant of wood has the most influence. A resonator method to determine the dielectric constant of the wood was used. The values of permittivity for the spruce and pine samples were determined. The measured value of the dielectric constant of wood was used to provide optimal matching of the generator with the resonator in a wood-drying resonator type microwave chamber, and to maintain it in the process of wood drying. It resulted in obtaining the samples with a higher permeability of wood in radial and longitudinal direction. This creates favorable conditions for wood impregnation with antiseptics and flame retardants. Timber dried by means of electromagnetic waves in the 2.4 GHz band has a deeper protective layer. The support made of such wood will serve longer as supports of communication lines.

Dielectric properties of 3D-printed materials for anatomy specific 3D-printed MRI coils

NASA Astrophysics Data System (ADS)

Behzadnezhad, Bahareh; Collick, Bruce D.; Behdad, Nader; McMillan, Alan B.

2018-04-01

Additive manufacturing provides a low-cost and rapid means to translate 3D designs into the construction of a prototype. For MRI, this type of manufacturing can be used to construct various components including the structure of RF coils. In this paper, we characterize the material properties (dielectric constant and loss tangent) of several common 3D-printed polymers in the MRI frequency range of 63-300 MHz (for MRI magnetic field strengths of 1.5-7 T), and utilize these material properties in full-wave electromagnetic simulations to design and construct a very low-cost subject/anatomy-specific 3D-printed receive-only RF coil that fits close to the body. We show that the anatomy-specific coil exhibits higher signal-to-noise ratio compared to a conventional flat surface coil.

Towards high-performance materials for road construction

NASA Astrophysics Data System (ADS)

Gladkikh, V.; Korolev, E.; Smirnov, V.

2017-10-01

Due to constant increase of traffic, modern road construction is in need of high-performance pavement materials. The operational performance of such materials can be characterized by many properties. Nevertheless, the most important ones are resistance to rutting and resistance to dynamical loads. It was proposed earlier to use sulfur extended asphalt concrete in road construction practice. To reduce the emission of sulfur dioxide and hydrogen sulfide during the concrete mix preparation and pavement production stages, it is beneficial to make such a concrete on the base of complex sulfur modifier. In the present work the influence of the complex modifier to mechanical properties of sulfur extended asphalt concrete was examined. It was shown that sulfur extended asphalt concrete is of high mechanical properties. It was also revealed that there as an anomalous negative correlations between strain capacity, fatigue life and fracture toughness.

Density functional theory study of structural, electronic, and thermal properties of Pt, Pd, Rh, Ir, Os and PtPd X (X = Ir, Os, and Rh) alloys

NASA Astrophysics Data System (ADS)

Shabbir, Ahmed; Muhammad, Zafar; M, Shakil; M, A. Choudhary

2016-03-01

The structural, electronic, mechanical, and thermal properties of Pt, Pd, Rh, Ir, Os metals and their alloys PtPdX (X = Ir, Os and Rh) are studied systematically using ab initio density functional theory. The groundstate properties such as lattice constant and bulk modulus are calculated to find the equilibrium atomic position for stable alloys. The electronic band structure and density of states are calculated to study the electronic behavior of metals on making their alloys. The electronic properties substantiate the metallic behavior for all studied materials. The firstprinciples density functional perturbation theory as implemented in quasi-harmonic approximation is used for the calculations of thermal properties. We have calculated the thermal properties such as the Debye temperature, vibrational energy, entropy and constant-volume specific heat. The calculated properties are compared with the previously reported experimental and theoretical data for metals and are found to be in good agreement. Calculated results for alloys could not be compared because there is no data available in the literature with such alloy composition.

Colossal dielectric constant in PrFeO 3 semiconductor ceramics

NASA Astrophysics Data System (ADS)

Prasad, Bandi Vittal; Rao, G. Narsinga; Chen, J. W.; Babu, D. Suresh

2012-02-01

The perovskite PrFeO 3 ceramics were synthesized via sol-gel method. The dielectric properties and impedance spectroscopy (IS) of these ceramics were studied in the frequency range from 100 Hz to 1000 kHz in the temperature range from 80 K to 300 K. These materials exhibited colossal dielectric constant value of ˜10 4 at room temperature. The response is similar to that observed for relaxorferroelectrics. IS data analysis indicates the ceramics to be electrically heterogeneous semiconductor consisting of semiconducting grains with dielectric constant 30 and more resistive grain boundaries with effective dielectric constant ˜10 4. We conclude, therefore that grain boundary effect is the primary source for the high effective permittivity in PrFeO 3 ceramics.

Mechanical and electrical properties of laminates for high performance printed wiring boards

NASA Astrophysics Data System (ADS)

Guiles, Chester L.

The physical and electrical properties of laminate boards intended for high-performance applications are reviewed with particular reference to the coefficient of thermal expansion, dielectric constant, and characteristic impedance. It is shown, in particular, that the electrical properties can be tailored to some extent by using various conbinations of basic board materials, such as copper foil, fiberglass fabric, glass fabric, epoxy resin, polyimide resin, aluminum sheet, Kevlar and quartz fabrics, copper-invar-copper, and alumina-ceramic.

Electronic and optical properties of RESn{sub 3} (RE=Pr & Nd) intermetallics: A first principles study

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

Pagare, G., E-mail: gita-pagare@yahoo.co.in; Abraham, Jisha A.; Department of Physics, National Defence Academy, Pune-411023

2015-06-24

A theoretical study of structural, electronic and optical properties of RESn{sub 3} (RE = Pr & Nd) intermetallics have been investigated systematically using first principles density functional theory. The calculations are carried out within the PBE-GGA and LSDA for the exchange correlation potential. The ground state properties such as lattice parameter (a{sub 0}), bulk modulus (B) and its pressure derivative (B′) are calculated and the calculated lattice parameters show well agreement with the experimental results. We first time predict elastic constants for these compounds. From energy dispersion curves, it is found that these compounds are metallic in nature. The linearmore » optical response of these compounds are also studied and the higher value of static dielectric constant shows the possibility to use them as good dielectric materials.« less

Heat treatment effects on dielectric properties of SRFe{sub 12}O{sub 19} hexaferrite prepared by an SHS route

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

Panchal, Nital R.; Jotania, Rajshree B., E-mail: natal_panchal@yahoo.co.in, E-mail: rbjotania@gmail.com

2011-07-01

The M-type Strontium Hexaferrite SRFe{sub 12}O{sub 19} particles were prepared by a Self propagating High temperature Synthesis (SHS) route. Precursors were heated under two different conditions: microwave heating for 30 minutes and sintered at 950 deg C for 4 hrs. The dielectric properties: dielectric constant ({epsilon}{sup '}), dielectric loss (tan {delta} ) and ac conductivity ({sigma}{sub ac}) were measured at room temperature in the frequency range from 100 Hz to 2 MHz. The samples present a non-linear behavior for the dielectric constant at 1 kHz, 100 kHz and 2 MHz. The dielectric properties of prepared Strontium Hexaferrite samples were discussedmore » in view of applications as a material for microwave devices, permanent magnets and high density magnetic recording media. (author)« less

Exploratory studies of new avenues to achieve high electromechanical response and high dielectric constant in polymeric materials

NASA Astrophysics Data System (ADS)

Huang, Cheng

High performance soft electronic materials are key elements in advanced electronic devices for broad range applications including capacitors, actuators, artificial muscles and organs, smart materials and structures, microelectromechanical (MEMS) and microfluidic devices, acoustic devices and sensors. This thesis exploits new approaches to improve the electromechanical response and dielectric response of these materials. By making use of novel material phenomena such as large anisotropy in dipolar response in liquid crystals (LCs) and all-organic composites in which high dielectric constant organic solids and conductive polymers are either physically blended into or chemically grafted to a polymer matrix, we demonstrate that high dielectric constant and high electromechanical conversion efficiency comparable to that in ceramic materials can be achieved. Nano-composite approach can also be utilized to improve the performance of the electronic electroactive polymers (EAPs) and composites, for example, exchange coupling between the fillers and matrix with very large dielectric contrast can lead to significantly enhance the dielectric response as well as electromechanical response when the heterogeneity size of the composite is comparable to the exchange length. In addition to the dielectric composites, in which high dielectric constant fillers raise the dielectric constant of composites, conductive percolation can also lead to high dielectric constant in polymeric materials. An all-polymer percolative composite is introduced which exhibits very high dielectric constant (>7,000). The flexible all-polymer composites with a high dielectric constant make it possible to induce a high electromechanical response under a much reduced electric field in the field effect electroactive polymer (EAP) actuators (a strain of 2.65% with an elastic energy density of 0.18 J/cm3 can be achieved under a field of 16 V/mum). Agglomeration of the particles can also be effectively prevented by in situ preparation. High dielectric constant copper phthalocyanine oligomer and conductive polyaniline oligomer were successfully bonded to polyurethane backbone to form fully functionalized nano-phase polymers. Improvement of dispersibility of oligomers in polymer matrix makes the system self-organize the nanocomposites possessing oligomer nanophase (below 30nm) within the fully functionalized polymers. The resulting nanophase polymers significantly enhance the interface effect, which through the exchange coupling raises the dielectric response markedly above that expected from simple mixing rules for dielectric composites. Consequently, these nano-phase polymers offer a high dielectric constant (a dielectric constant near 1,000 at 20 Hz), improve the breakdown field and mechanical properties, and exhibit high electromechanical response. A longitudinal strain of more than -14% can be induced under a much reduced field, 23 V/mum, with an elastic energy density of higher than 1 J/cm3. The elastic modulus is as high as 100MPa, and a transverse strain is 7% under the same field. (Abstract shortened by UMI.)

From the molecular structure to spectroscopic and material properties: computational investigation of a bent-core nematic liquid crystal.

PubMed

Greco, Cristina; Marini, Alberto; Frezza, Elisa; Ferrarini, Alberta

2014-05-19

We present a computational investigation of the nematic phase of the bent-core liquid crystal A131. We use an integrated approach that bridges density functional theory calculations of molecular geometry and torsional potentials to elastic properties through the molecular conformational and orientational distribution function. This unique capability to simultaneously access different length scales enables us to consistently describe molecular and material properties. We can reassign (13)C NMR chemical shifts and analyze the dependence of phase properties on molecular shape. Focusing on the elastic constants we can draw some general conclusions on the unconventional behavior of bent-core nematics and highlight the crucial role of a properly-bent shape. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Technique for Performing Dielectric Property Measurements at Microwave Frequencies

NASA Technical Reports Server (NTRS)

Barmatz, Martin B.; Jackson, Henry W.

2010-01-01

A paper discusses the need to perform accurate dielectric property measurements on larger sized samples, particularly liquids at microwave frequencies. These types of measurements cannot be obtained using conventional cavity perturbation methods, particularly for liquids or powdered or granulated solids that require a surrounding container. To solve this problem, a model has been developed for the resonant frequency and quality factor of a cylindrical microwave cavity containing concentric cylindrical samples. This model can then be inverted to obtain the real and imaginary dielectric constants of the material of interest. This approach is based on using exact solutions to Maxwell s equations for the resonant properties of a cylindrical microwave cavity and also using the effective electrical conductivity of the cavity walls that is estimated from the measured empty cavity quality factor. This new approach calculates the complex resonant frequency and associated electromagnetic fields for a cylindrical microwave cavity with lossy walls that is loaded with concentric, axially aligned, lossy dielectric cylindrical samples. In this approach, the calculated complex resonant frequency, consisting of real and imaginary parts, is related to the experimentally measured quantities. Because this approach uses Maxwell's equations to determine the perturbed electromagnetic fields in the cavity with the material(s) inserted, one can calculate the expected wall losses using the fields for the loaded cavity rather than just depending on the value of the fields obtained from the empty cavity quality factor. These additional calculations provide a more accurate determination of the complex dielectric constant of the material being studied. The improved approach will be particularly important when working with larger samples or samples with larger dielectric constants that will further perturb the cavity electromagnetic fields. Also, this approach enables the ability to have a larger sample of interest, such as a liquid or powdered or granulated solid, inside a cylindrical container.

Database Design for Structural Analysis and Design Optimization.

DTIC Science & Technology

1984-10-01

2) . Element number of nodes IELT NPAR(2) " Stress printing flag IPST NPAR(2) Element material angle BETA NPAR(2) Element thickness THICK NPAR(2...number LM 3*NPAR(17)*NPAR(2) Element nodal coordinates XYZ 3*NPAR(17)*NPAR(2) Element number of nodes IELT NPAR(2) Element geometry number of nodes IELTX...D.O.F. number LM 6*NPAR(7)*NPAR(2) Element number of nodes IELT NPAR(2) Material property set number MATP NPAR(2) Material constants PROP NPAR(17

Mathematical Modeling of Ultraporous Nonmetallic Reticulated Materials

NASA Astrophysics Data System (ADS)

Alifanov, O. M.; Cherepanov, V. V.; Morzhukhina, A. V.

2015-01-01

We have developed an imitation statistical mathematical model reflecting the structure and the thermal, electrophysical, and optical properties of nonmetallic ultraporous reticulated materials. This model, in combination with a nonstationary thermal experiment and methods of the theory of inverse heat transfer problems, permits determining the little-studied characteristics of the above materials such as the radiative and conductive heat conductivities, the spectral scattering and absorption coefficients, the scattering indicatrix, and the dielectric constants, which are of great practical interest but are difficult to investigate.

Determination of coefficient of thermal expansion effects on Louisiana's PCC pavement design : research project capsule.

DOT National Transportation Integrated Search

2009-01-01

PROBLEM: The coefficient of thermal expansion (CTE) is a fundamental property of construction : materials such as steel and concrete. Although the CTE of steel is a well-defined : constant, the CTE of concrete varies substantially with aggregate type...

1000 to 1300 K slow plastic compression properties of Al-deficient NiAl

NASA Technical Reports Server (NTRS)

Whittenberger, J. D.; Kumar, K. S.; Mannan, S. K.

1991-01-01

Nickel aluminides containing 37, 38.5 and 40 at. pct Al have been fabricated by XD synthesis and hot pressing. Such materials were compression tested in air under constant velocity conditions between 1000 and 1300 K. Examination of the microstructures of hot pressed and compression tested aluminides indicated that the structure consisted of two phases, gamma-prime and NiAl, for essentially all conditions, where gamma-prime was usually found on the NiAl grain boundaries. The stress-strain behavior of all three intermetallics was similar where flow at a nominally constant stress occurred after about two-percent plastic deformation. Furthermore, the 1000 to 1300 K flow stress-strain rate properties are nearly identical for these materials, and they are much lower than those for XD processed Ni-50Al. The overall deformation of the two phase nickel aluminides appears to be controlled by dislocation climb in NiAl rather than processes in gamma-prime.

Broadband giant-refractive-index material based on mesoscopic space-filling curves

NASA Astrophysics Data System (ADS)

Chang, Taeyong; Kim, Jong Uk; Kang, Seung Kyu; Kim, Hyowook; Kim, Do Kyung; Lee, Yong-Hee; Shin, Jonghwa

2016-08-01

The refractive index is the fundamental property of all optical materials and dictates Snell's law, propagation speed, wavelength, diffraction, energy density, absorption and emission of light in materials. Experimentally realized broadband refractive indices remain <40, even with intricately designed artificial media. Herein, we demonstrate a measured index >1,800 resulting from a mesoscopic crystal with a dielectric constant greater than three million. This gigantic enhancement effect originates from the space-filling curve concept from mathematics. The principle is inherently very broad band, the enhancement being nearly constant from zero up to the frequency of interest. This broadband giant-refractive-index medium promises not only enhanced resolution in imaging and raised fundamental absorption limits in solar energy devices, but also compact, power-efficient components for optical communication and increased performance in many other applications.

Estimation of Complex Permittivity of Composite Multilayer Material at Microwave Frequency Using Waveguide Measurements

NASA Technical Reports Server (NTRS)

Deshpande, Manohar D.; Dudley, Kenneth

2003-01-01

A simple method is presented to estimate the complex dielectric constants of individual layers of a multilayer composite material. Using the MatLab Optimization Tools simple MatLab scripts are written to search for electric properties of individual layers so as to match the measured and calculated S-parameters. A single layer composite material formed by using materials such as Bakelite, Nomex Felt, Fiber Glass, Woven Composite B and G, Nano Material #0, Cork, Garlock, of different thicknesses are tested using the present approach. Assuming the thicknesses of samples unknown, the present approach is shown to work well in estimating the dielectric constants and the thicknesses. A number of two layer composite materials formed by various combinations of above individual materials are tested using the present approach. However, the present approach could not provide estimate values close to their true values when the thicknesses of individual layers were assumed to be unknown. This is attributed to the difficulty in modelling the presence of airgaps between the layers while doing the measurement of S-parameters. A few examples of three layer composites are also presented.

Enhancement of piezoelectric constants induced by cation-substitution and two-dimensional strain effects on ZnO predicted by density functional perturbation theory

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

Nakamura, Kaoru, E-mail: n-kaoru@criepi.denken.or.jp; Higuchi, Sadao; Ohnuma, Toshiharu

2016-03-21

Using density functional perturbation theory, we investigated the effect of various substitutional dopant elements and in-plane strain on the piezoelectric properties of ZnO. The piezoelectric stress constant e{sub 33} of doped ZnO was found to depend on the formal charge of the substitutional dopant. By decomposing the piezoelectric stress constant e{sub 33} into the individual atomic contributions, the change in the piezoelectric properties was found to originate from a change in the coupling between the atomic displacement and the strain. Furthermore, we found that in-plane tensile strain along the a axis, which is specific to the thin film, can enhancemore » the piezoelectric constant of ZnO. A phase transition from wurtzite to h-BN-type structure was found to occur with increasing in-plane tensile. The piezoelectric strain constant d{sub 33} was predicted to reach ∼200 pC/N for 2.78 at. % V-substituted ZnO at 5.5% in-plane strain, just before the phase transition. These theoretical results suggest that the piezoelectric constant of ZnO can be enhanced by controlling the in-plane strain via selection of the substrate material and dopant element.« less

Fabrication Method Study of ZnO Nanocoated Cellulose Film and Its Piezoelectric Property

PubMed Central

Ko, Hyun-U; Kim, Hyun Chan; Kim, Jung Woong; Zhai, Lindong; Kim, Jaehwan

2017-01-01

Recently, a cellulose-based composite material with a thin ZnO nanolayer—namely, ZnO nanocoated cellulose film (ZONCE)—was fabricated to increase its piezoelectric charge constant. However, the fabrication method has limitations to its application in mass production. In this paper, a hydrothermal synthesis method suitable for the mass production of ZONCE (HZONCE) is proposed. A simple hydrothermal synthesis which includes a hydrothermal reaction is used for the production, and the reaction time is controlled. To improve the piezoelectric charge constant, the hydrothermal reaction is conducted twice. HZONCE fabricated by twice-hydrothermal reaction shows approximately 1.6-times improved piezoelectric charge constant compared to HZONCE fabricated by single hydrothermal reaction. Since the fabricated HZONCE has high transparency, dielectric constant, and piezoelectric constant, the proposed method can be applied for continuous mass production. PMID:28772971

Manipulating Ferroelectrics through Changes in Surface and Interface Properties

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

Balke, Nina; Ramesh, Ramamoorthy; Yu, Pu

Ferroelectric materials are used in many applications of modern technologies including information storage, transducers, sensors, tunable capacitors, and other novel device concepts. In many of these applications, the ferroelectric properties, such as switching voltages, piezoelectric constants, or stability of nanodomains, are crucial. For any application, even for material characterization, the material itself needs to be interfaced with electrodes. On the basis of the structural, chemical, and electronic properties of the interfaces, the measured material properties can be determined by the interface. This is also true for surfaces. However, the importance of interfaces and surfaces and their effect on experiments aremore » often neglected, which results in many dramatically different experimental results for nominally identical samples. Therefore, it is crucial to understand the role of the interface and surface properties on internal bias fields and the domain switching process. Here, the nanoscale ferroelectric switching process and the stability of nanodomains for Pb(Zr,Ti)O 3 thin films are investigated by using scanning probe microscopy. Interface and surface properties are modulated through the selection/redesign of electrode materials as well as tuning the surface-near oxygen vacancies, which both can result in changes of the electric fields acting across the sample, and consequently this controls the measured ferroelectric and domain retention properties. By understanding the role of surfaces and interfaces, ferroelectric properties can be tuned to eliminate the problem of asymmetric domain stability by combining the effects of different electrode materials. Lastly, this study forms an important step toward integrating ferroelectric materials in electronic devices.« less

Manipulating Ferroelectrics through Changes in Surface and Interface Properties

DOE PAGES

Balke, Nina; Ramesh, Ramamoorthy; Yu, Pu

2017-10-23

Ferroelectric materials are used in many applications of modern technologies including information storage, transducers, sensors, tunable capacitors, and other novel device concepts. In many of these applications, the ferroelectric properties, such as switching voltages, piezoelectric constants, or stability of nanodomains, are crucial. For any application, even for material characterization, the material itself needs to be interfaced with electrodes. On the basis of the structural, chemical, and electronic properties of the interfaces, the measured material properties can be determined by the interface. This is also true for surfaces. However, the importance of interfaces and surfaces and their effect on experiments aremore » often neglected, which results in many dramatically different experimental results for nominally identical samples. Therefore, it is crucial to understand the role of the interface and surface properties on internal bias fields and the domain switching process. Here, the nanoscale ferroelectric switching process and the stability of nanodomains for Pb(Zr,Ti)O 3 thin films are investigated by using scanning probe microscopy. Interface and surface properties are modulated through the selection/redesign of electrode materials as well as tuning the surface-near oxygen vacancies, which both can result in changes of the electric fields acting across the sample, and consequently this controls the measured ferroelectric and domain retention properties. By understanding the role of surfaces and interfaces, ferroelectric properties can be tuned to eliminate the problem of asymmetric domain stability by combining the effects of different electrode materials. Lastly, this study forms an important step toward integrating ferroelectric materials in electronic devices.« less

Dielectric properties of carbon nanotubes/epoxy composites.

PubMed

Peng, Jin-Ping; Zhang, Hui; Tang, Long-Cheng; Jia, Yu; Zhang, Zhong

2013-02-01

Material with high dielectric properties possesses the effect of energy storage and electric field homogenization, which plays an important role in the electrical and electronics domain, especially in the capacitor, electrical machinery and cable realm. In this paper, epoxy-based nanocomposites with high dielectric constant were fabricated by adding pristine and ozone functionalized multi-wall carbon nanotubes (MWCNTs). In the process-related aspect, the favorable technological parameter was obtained via reasonable arrangement and consideration of the dispersing methods including high-speed stirring and three-roller mill. As a result, a uniform dispersion status of MWCNTs in matrix has been guaranteed, which was observed by scanning and transmission electron microscopy. Meanwhile, the influence of different MWCNTs contents and diverse frequencies on the dielectric properties was compared. It was found that the dielectric constant of nano-composites decreased gradually with the increasing of frequency (10(3)-10(6) Hz). Moreover, as the content of MWCNTs increasing, the dielectric constant reached to a maximum of about 1,328 at 10(3) Hz when the pristine MWCNTs content was 0.5 wt.%. Accordingly, the DC conductivity results could interpret the peak value phenomenon by percolation threshold of MWCNTs. In addition, at the fixed content, the dielectric constant of epoxy-based nano-composites with ozone functionalized MWCNTs was lower than that of pristine ones.

Temperature dependent nonlinear metal matrix laminae behavior

NASA Technical Reports Server (NTRS)

Barrett, D. J.; Buesking, K. W.

1986-01-01

An analytical method is described for computing the nonlinear thermal and mechanical response of laminated plates. The material model focuses upon the behavior of metal matrix materials by relating the nonlinear composite response to plasticity effects in the matrix. The foundation of the analysis is the unidirectional material model which is used to compute the instantaneous properties of the lamina based upon the properties of the fibers and matrix. The unidirectional model assumes that the fibers properties are constant with temperature and assumes that the matrix can be modelled as a temperature dependent, bilinear, kinematically hardening material. An incremental approach is used to compute average stresses in the fibers and matrix caused by arbitrary mechanical and thermal loads. The layer model is incorporated in an incremental laminated plate theory to compute the nonlinear response of laminated metal matrix composites of general orientation and stacking sequence. The report includes comparisons of the method with other analytical approaches and compares theoretical calculations with measured experimental material behavior. A section is included which describes the limitations of the material model.

Dielectric Properties of Tungsten Copper Barium Ceramic as Promising Colossal-Permittivity Material

NASA Astrophysics Data System (ADS)

Wang, Juanjuan; Chao, Xiaolian; Li, Guangzhao; Feng, Lajun; Zhao, Kang; Ning, Tiantian

2017-08-01

Ba(Cu0.5W0.5)O3 (BCW) ceramic has been fabricated and its dielectric properties investigated for use in energy-storage applications, revealing a very large dielectric constant (˜104) at 1 kHz. Moreover, the colossal-permittivity BCW ceramic exhibited fine microstructure and optimal temperature stability over a wide temperature range from room temperature to 500°C. The internal barrier layer capacitor mechanism was considered to be responsible for its high dielectric properties. Based on activation values, it is concluded that doubly ionized oxygen vacancies make a substantial contribution to the conduction and relaxation behaviors at grain boundaries. This study suggests that this kind of material has potential for use in high-density energy storage applications.

Thermal time constant: optimising the skin temperature predictive modelling in lower limb prostheses using Gaussian processes

PubMed Central

Buis, Arjan

2016-01-01

Elevated skin temperature at the body/device interface of lower-limb prostheses is one of the major factors that affect tissue health. The heat dissipation in prosthetic sockets is greatly influenced by the thermal conductive properties of the hard socket and liner material employed. However, monitoring of the interface temperature at skin level in lower-limb prosthesis is notoriously complicated. This is due to the flexible nature of the interface liners used which requires consistent positioning of sensors during donning and doffing. Predicting the residual limb temperature by monitoring the temperature between socket and liner rather than skin and liner could be an important step in alleviating complaints on increased temperature and perspiration in prosthetic sockets. To predict the residual limb temperature, a machine learning algorithm – Gaussian processes is employed, which utilizes the thermal time constant values of commonly used socket and liner materials. This Letter highlights the relevance of thermal time constant of prosthetic materials in Gaussian processes technique which would be useful in addressing the challenge of non-invasively monitoring the residual limb skin temperature. With the introduction of thermal time constant, the model can be optimised and generalised for a given prosthetic setup, thereby making the predictions more reliable. PMID:27695626

Thermal time constant: optimising the skin temperature predictive modelling in lower limb prostheses using Gaussian processes.

PubMed

Mathur, Neha; Glesk, Ivan; Buis, Arjan

2016-06-01

Elevated skin temperature at the body/device interface of lower-limb prostheses is one of the major factors that affect tissue health. The heat dissipation in prosthetic sockets is greatly influenced by the thermal conductive properties of the hard socket and liner material employed. However, monitoring of the interface temperature at skin level in lower-limb prosthesis is notoriously complicated. This is due to the flexible nature of the interface liners used which requires consistent positioning of sensors during donning and doffing. Predicting the residual limb temperature by monitoring the temperature between socket and liner rather than skin and liner could be an important step in alleviating complaints on increased temperature and perspiration in prosthetic sockets. To predict the residual limb temperature, a machine learning algorithm - Gaussian processes is employed, which utilizes the thermal time constant values of commonly used socket and liner materials. This Letter highlights the relevance of thermal time constant of prosthetic materials in Gaussian processes technique which would be useful in addressing the challenge of non-invasively monitoring the residual limb skin temperature. With the introduction of thermal time constant, the model can be optimised and generalised for a given prosthetic setup, thereby making the predictions more reliable.

Experimental evaluation of the thermal properties of two tissue equivalent phantom materials.

PubMed

Craciunescu, O I; Howle, L E; Clegg, S T

1999-01-01

Tissue equivalent radio frequency (RF) phantoms provide a means for measuring the power deposition of various hyperthermia therapy applicators. Temperature measurements made in phantoms are used to verify the accuracy of various numerical approaches for computing the power and/or temperature distributions. For the numerical simulations to be accurate, the electrical and thermal properties of the materials that form the phantom should be accurately characterized. This paper reports on the experimentally measured thermal properties of two commonly used phantom materials, i.e. a rigid material with the electrical properties of human fat, and a low concentration polymer gel with the electrical properties of human muscle. Particularities of the two samples required the design of alternative measuring techniques for the specific heat and thermal conductivity. For the specific heat, a calorimeter method is used. For the thermal diffusivity, a method derived from the standard guarded comparative-longitudinal heat flow technique was used for both materials. For the 'muscle'-like material, the thermal conductivity, density and specific heat at constant pressure were measured as: k = 0.31 +/- 0.001 W(mK)(-1), p = 1026 +/- 7 kgm(-3), and c(p) = 4584 +/- 107 J(kgK)(-1). For the 'fat'-like material, the literature reports on the density and specific heat such that only the thermal conductivity was measured as k = 0.55 W(mK)(-1).

High-Temperature Electromechanical Characterization of AlN Single Crystals.

PubMed

Kim, Taeyang; Kim, Jinwook; Dalmau, Rafael; Schlesser, Raoul; Preble, Edward; Jiang, Xiaoning

2015-10-01

Hexagonal AlN is a non-ferroelectric material and does not have any phase transition up to its melting point (>2000°C), which indicates the potential use of AlN for high-temperature sensing. In this work, the elastic, dielectric, and piezoelectric constants of AlN single crystals were investigated at elevated temperatures up to 1000°C by the resonance method. We used resonators of five different modes to obtain a complete set of material constants of AlN single crystals. The electrical resistivity of AlN at elevated temperature (1000°C) was found to be greater than 5 × 10(10) Ω · cm. The resonance frequency of the resonators, which was mainly determined by the elastic compliances, decreased linearly with increasing temperature, and was characterized by a relatively low temperature coefficient of frequency, in the range of -20 to -36 ppm/°C. For all the investigated resonator modes, the elastic constants and the electromechanical coupling factors exhibited excellent temperature stability, with small variations over the full temperature range, <11.2% and <17%, respectively. Of particular significance is that due to the pyroelectricity of AlN, both the dielectric and the piezoelectric constants had high thermal resistivity even at extreme high temperature (1000°C). Therefore, high electrical resistivity, temperature independence of electromechanical properties, as well as high thermal resistivity of the elastic, dielectric, and piezoelectric properties, suggest that AlN single crystals are a promising candidate for high-temperature piezoelectric sensing applications.

Flexible barrier materials for protection against electromagnetic fields and their characterization

NASA Astrophysics Data System (ADS)

Jaroszewski, Maciej

2015-10-01

Composite materials for electromagnetic shielding can be manufactured as textiles using conductive yarns and textiles with conductivity obtained by various finishing processes on textile surfaces. The EM shielding effectiveness of fabrics are improved by lowering its conductivity using different methods and materials. An alternative is the usage of new light shielding materials in the form of metallized nonwoven fabrics or textiles. Their advantages are: a general availability on the market, a low price, good mechanical properties (strength, elasticity) and resistance to the environmental conditions. The composite anisotropic materials with a sandwich structure constituting of materials with different spatial orientations of fibers allow one to achieve relatively high and constant values of the shielding effectiveness which, together with the materials' mechanical properties, leads to a wide range of applicability in various disciplines of modern technology. This article is devoted to innovative flexible materials shielding electromagnetic field. The results of the PEM shielding effectiveness obtained for the polypropylene (PP) nonwoven fabrics metallized by pulsed magnetron sputtering are presented.

Effect of γ-irradiation on the optical and electrical properties of fiber reinforced composites

NASA Astrophysics Data System (ADS)

Anwar, Ahmad; Elfiky, Dalia; Ramadan, Ahmed M.; Hassan, G. M.

2017-05-01

The effect of gamma irradiation on the optical and electrical properties of the reinforced fiber polymeric based materials became an important issue. Fiberglass/epoxy and Kevlar fiber/epoxy were selected as investigated samples manufactured with hand lay-up without autoclave curing technique. The selected technique is simple and low cost while being rarely used in space materials production. The electric conductivity and dielectric constant for those samples were measured with increasing the gamma radiation dose. Moreover, the absorptivity, band gap and color change were determined. Fourier transform infrared (FTIR) was performed to each of the material's constituent to evaluate the change in the investigated materials due to radiation exposure dose. In this study, the change of electrical properties for both investigated materials showed a slight variation of the test parameters with respect to the gamma dose increase; this variation is placed in the insulators rang. The tested samples showed an insulator stable behavior during the test period. The change of optical properties for both composite specimens showed the maximum absorptivity at the gamma dose 750 kGy. These materials are suitable for structure materials and thermal control for orbital life less than 7 years. In addition, the transparency of epoxy matrix was degraded. However, there is no color change for either Kevlar fiber or fiberglass.

Particle interaction and rheological behavior of cement-based materials at micro- and macro-scales

NASA Astrophysics Data System (ADS)

Lomboy, Gilson Rescober

Rheology of cement based materials is controlled by the interactions at the particle level. The present study investigates the particle interactions and rheological properties of cement-based materials in the micro- and macro-scales. The cementitious materials studied are Portland cement (PC), fly ash (FA), ground granulated blast furnace slag (GGBFS) and densified silica fume (SF). At the micro-scale, aside from the forces on particles due to collisions, interactions of particles in a flowing system include the adhesion and friction. Adhesion is due to the attraction between materials and friction depends on the properties of the sliding surfaces. Atomic Force Microscopy (AFM) is used to measure the adhesion force and coefficient of friction. The adhesion force is measured by pull-off force measurements and is used to calculate Hamaker constants. The coefficient of friction is measured by increasing the deflection set-points on AFM probes with sliding particles, thereby increasing normal loads and friction force. AFM probes were commercial Si3N4 tips and cementitious particles attached to the tips of probe cantilevers. SF was not included in the micro-scale tests due to its limiting size when attaching it to the AFM probes. Other materials included in the tests were silica, calcite and mica, which were used for verification of the developed test method for the adhesion study. The AFM experiments were conducted in dry air and fluid environments at pH levels of 7, 8, 9, 11 and 13. The results in dry air indicate that the Hamaker constant of Class F FA can be similar to PC, but Class C FA can have a high Hamaker constant, also when in contact with other cementitious materials. The results in fluid environments showed low Hamaker constants for Class F fly ashes compared to PC and also showed high Hamaker constants for PC and Class C fly ash. The results for the friction test in dry air indicated that the coefficient of friction of PC is lower than fly ashes, which is attributed to the asperities present on the particle surface. At the macro-scale, flow of cementitious materials may be in its dry or wet state, during transport and handling or when it is used in concrete mixtures, respectively. Hence, the behavior of bulk cementitious materials in their dry state and wet form are studied. In the dry state, the compression, recompression and swell indices, and stiffness modulus of plain and blended cementitious materials are determined by confined uniaxial compression. The coefficients of friction of the bulk materials studied are determined by a direct shear test. The results indicate that shape of particles has a great influence on the compression and shear parameters. The indices for PC blends with FA do not change with FA replacement, while it increases with GGBFS replacement. Replacement with GGBFS slightly decreases coefficient of friction, while replacement with FA significantly decreases coefficient of friction. At low SF replacement, coefficient of friction decreases. In wet state, unary, binary, ternary and quaternary mixes with w/b of 0.35, 0.45 and 0.55 were tested for yield stress, viscosity and thixotropy. It is found that fly ash replacement lowers the rheological properties and replacement with GGBFS and SF increases rheological properties. The distinct element method (DEM) was employed to model particle interaction and bulk behavior. The AFM force curve measurement is simulated to validate the adhesion model in the DEM. The contact due to asperities was incorporated by considering the asperities as a percentage of the radius of the contacting particles. The results of the simulation matches the force-curve obtained from actual AFM experiments. The confined uniaxial compression test is simulated to verify the use of DEM to relate micro-scale properties to macros-scale behavior. The bulk stiffness from the physical experiments is matched in the DEM simulation. The particle stiffness and coefficient of friction are found to have a direct relation to bulk stiffness.

Synthesis, characterization and analytical application of hybrid; acrylamide zirconium (IV) arsenate a cation exchanger, effect of dielectric constant on distribution coefficient of metal ions.

PubMed

Nabi, Syed A; Shalla, Aabid H

2009-04-30

A new hybrid inorganic-organic cation exchanger acrylamide zirconium (IV) arsenate has been synthesized, characterized and its analytical application explored. The effect of experimental parameters such as mixing ratio of reagents, temperature, and pH on the properties of material has been studied. FTIR, TGA, X-ray, UV-vis spectrophotometry, SEM and elemental analysis were used to determine the physiochemical properties of this hybrid ion exchanger. The material behaves as a monofunctional acid with ion-exchange capacity of 1.65 meq/g for Na(+) ions. The chemical stability data reveals that the exchanger is quite stable in mineral acids, bases and fairly stable in organic solvents, while as thermal analysis shows that the material retain 84% of its ion-exchange capacity up to 600 degrees C. Adsorption behavior of metal ions in solvents with increasing dielectric constant has also been explored. The sorption studies reveal that the material is selective for Pb(2+) ions. The analytical utility of the material has been explored by achieving some binary separations of metal ions on its column. Pb(2+) has been selectively removed from synthetic mixtures containing Mg(2+), Ca(2+), Sr(2+), Zn(2+) and Cu(2+), Al(3+), Ni(2+), Fe(3+). In order to demonstrate practical utility of the material quantitative separation of the Cu(2+) and Zn(2+) in brass sample has been achieved on its columns.

Insight into interfacial effect on effective physical properties of fibrous materials. I. The volume fraction of soft interfaces around anisotropic fibers.

PubMed

Xu, Wenxiang; Wang, Han; Niu, Yanze; Bai, Jingtao

2016-01-07

With advances in interfacial properties characterization technologies, the interfacial volume fraction is a feasible parameter for evaluating effective physical properties of materials. However, there is a need to determine the interfacial volume fraction around anisotropic fibers and a need to assess the influence of such the interfacial property on effective properties of fibrous materials. Either ways, the accurate prediction of interfacial volume fraction is required. Towards this end, we put forward both theoretical and numerical schemes to determine the interfacial volume fraction in fibrous materials, which are considered as a three-phase composite structure consisting of matrix, anisotropic hard spherocylinder fibers, and soft interfacial layers with a constant dimension coated on the surface of each fiber. The interfacial volume fraction actually represents the fraction of space not occupied by all hard fibers and matrix. The theoretical scheme that adopts statistical geometry and stereological theories is essentially an analytic continuation from spherical inclusions. By simulating such three-phase chopped fibrous materials, we numerically derive the interfacial volume fraction. The theoretical and numerical schemes provide a quantitative insight that the interfacial volume fraction depends strongly on the fiber geometries like fiber shape, geometric size factor, and fiber size distribution. As a critical interfacial property, the present contribution can be further drawn into assessing effective physical properties of fibrous materials, which will be demonstrated in another paper (Part II) of this series.

Are trinuclear superhalogens promising candidates for building blocks of novel magnetic materials? A theoretical prospect from combined broken-symmetry density functional theory and ab initio study.

PubMed

Yu, Yang; Li, Chen; Yin, Bing; Li, Jian-Li; Huang, Yuan-He; Wen, Zhen-Yi; Jiang, Zhen-Yi

2013-08-07

The structures, relative stabilities, vertical electron detachment energies, and magnetic properties of a series of trinuclear clusters are explored via combined broken-symmetry density functional theory and ab initio study. Several exchange-correlation functionals are utilized to investigate the effects of different halogen elements and central atoms on the properties of the clusters. These clusters are shown to possess stronger superhalogen properties than previously reported dinuclear superhalogens. The calculated exchange coupling constants indicate the antiferromagnetic coupling between the transition metal ions. Spin density analysis demonstrates the importance of spin delocalization in determining the strengths of various couplings. Spin frustration is shown to occur in some of the trinuclear superhalogens. The coexistence of strong superhalogen properties and spin frustration implies the possibility of trinuclear superhalogens working as the building block of new materials of novel magnetic properties.

Hypervelocity penetration against mechanical properties of target materials

NASA Astrophysics Data System (ADS)

Ariffin, M. M.; Roslan, M. H.; Ishak, M. T.; Hamid, M. H. A.; Katim, N. I. A.; Hashim, F. R.; Razali, S.

2018-02-01

Sustainable development is growing importance issues nowadays and requires the consideration of environmental criteria to develop of all new materials and equipment. A better balance must be found in properties of oils so that the impact on the environment can be minimized. In transformers, a stable liquid, inert, with good electrical and thermal properties is necessary and the liquid must be non-toxic to environment and readily biodegradable. The objective of this research is to make a comparative study of different vegetable oils: palm oil, corn oil, rice bran oil and analyze the dielectric properties such as relative permittivity, dielectric constant and resistivity with variation temperature 30°C-90°C and breakdown voltage with different ageing time 30 days, 90 days and 180 days. The dielectric properties data of the vegetable oils are compared with the transformer oil (mineral oil) and appropriate causes for similarities and different have been discussed.

Chemically Driven Printed Textile Sensors Based on Graphene and Carbon Nanotubes

PubMed Central

Skrzetuska, Ewa; Puchalski, Michał; Krucińska, Izabella

2014-01-01

The unique properties of graphene, such as the high elasticity, mechanical strength, thermal conductivity, very high electrical conductivity and transparency, make them it an interesting material for stretchable electronic applications. In the work presented herein, the authors used graphene and carbon nanotubes to introduce chemical sensing properties into textile materials by means of a screen printing method. Carbon nanotubes and graphene pellets were dispersed in water and used as a printing paste in the screen printing process. Three printing paste compositions were prepared—0%, 1% and 3% graphene pellet content with a constant 3% carbon nanotube mass content. Commercially available materials were used in this process. As a substrate, a twill woven cotton fabric was utilized. It has been found that the addition of graphene to printing paste that contains carbon nanotubes significantly enhances the electrical conductivity and sensing properties of the final product. PMID:25211197

Magnetic field effects on microwave absorbing materials

NASA Technical Reports Server (NTRS)

Goldberg, Ira; Hollingsworth, Charles S.; Mckinney, Ted M.

1991-01-01

The objective of this program was to gather information to formulate a microwave absorber that can work in the presence of strong constant direct current (DC) magnetic fields. The program was conducted in four steps. The first step was to investigate the electrical and magnetic properties of magnetic and ferrite microwave absorbers in the presence of strong magnetic fields. This included both experimental measurements and a literature survey of properties that may be applicable to finding an appropriate absorbing material. The second step was to identify those material properties that will produce desirable absorptive properties in the presence of intense magnetic fields and determine the range of magnetic field in which the absorbers remain effective. The third step was to establish ferrite absorber designs that will produce low reflection and adequate absorption in the presence of intense inhomogeneous static magnetic fields. The fourth and final step was to prepare and test samples of such magnetic microwave absorbers if such designs seem practical.

Measurement of elastic and thermal properties of composite materials using digital speckle pattern interferometry

NASA Astrophysics Data System (ADS)

Kumar, Manoj; Khan, Gufran S.; Shakher, Chandra

2015-08-01

In the present work, application of digital speckle pattern interferometry (DSPI) was applied for the measurement of mechanical/elastic and thermal properties of fibre reinforced plastics (FRP). Digital speckle pattern interferometric technique was used to characterize the material constants (Poisson's ratio and Young's modulus) of the composite material. Poisson ratio based on plate bending and Young's modulus based on plate vibration of material are measured by using DSPI. In addition to this, the coefficient of thermal expansion of composite material is also measured. To study the thermal strain analysis, a single DSPI fringe pattern is used to extract the phase information by using Riesz transform and the monogenic signal. The phase extraction from a single DSPI fringe pattern by using Riesz transform does not require a phase-shifting system or spatial carrier. The elastic and thermal parameters obtained from DSPI are in close agreement with the theoretical predictions available in literature.

FP-LAPW calculations of the elastic, electronic and thermoelectric properties of the filled skutterudite CeRu{sub 4}Sb{sub 12}

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

Shankar, A., E-mail: amitshan2009@gmail.com; Rai, D.P.; Chettri, Sandeep

2016-08-15

We have investigated the electronic structure, elastic and thermoelectric properties of the filled skutterudite CeRu{sub 4}Sb{sub 12} using the density functional theory (DFT). The full potential linearized augmented plane wave (FP-LAPW) method within a framework of the generalized gradient approximation (GGA) approach is used to perform the calculations presented here. The electronic structure calculation suggests an indirect band gap semiconducting nature of the material with energy band gap of 0.08 eV. The analysis of the elastic constants at relaxed positions reveals the ductile nature of the sample material with covalent contribution in the inter-atomic bonding. The narrow band gap semiconductingmore » nature with high value of Seebeck coefficient suggests the possibility of the thermoelectric application of the material. The analysis of the thermal transport properties confirms the result obtained from the energy band structure of the material with high thermopower and dimensionless figure of merit 0.19 at room temperature.« less

Elastic constants of stressed and unstressed materials in the phase-field crystal model

NASA Astrophysics Data System (ADS)

Wang, Zi-Le; Huang, Zhi-Feng; Liu, Zhirong

2018-04-01

A general procedure is developed to investigate the elastic response and calculate the elastic constants of stressed and unstressed materials through continuum field modeling, particularly the phase-field crystal (PFC) models. It is found that for a complete description of system response to elastic deformation, the variations of all the quantities of lattice wave vectors, their density amplitudes (including the corresponding anisotropic variation and degeneracy breaking), the average atomic density, and system volume should be incorporated. The quantitative and qualitative results of elastic constant calculations highly depend on the physical interpretation of the density field used in the model, and also importantly, on the intrinsic pressure that usually pre-exists in the model system. A formulation based on thermodynamics is constructed to account for the effects caused by constant pre-existing stress during the homogeneous elastic deformation, through the introducing of a generalized Gibbs free energy and an effective finite strain tensor used for determining the elastic constants. The elastic properties of both solid and liquid states can be well produced by this unified approach, as demonstrated by an analysis for the liquid state and numerical evaluations for the bcc solid phase. The numerical calculations of bcc elastic constants and Poisson's ratio through this method generate results that are consistent with experimental conditions, and better match the data of bcc Fe given by molecular dynamics simulations as compared to previous work. The general theory developed here is applicable to the study of different types of stressed or unstressed material systems under elastic deformation.

Material Properties from Air Puff Corneal Deformation by Numerical Simulations on Model Corneas.

PubMed

Bekesi, Nandor; Dorronsoro, Carlos; de la Hoz, Andrés; Marcos, Susana

2016-01-01

To validate a new method for reconstructing corneal biomechanical properties from air puff corneal deformation images using hydrogel polymer model corneas and porcine corneas. Air puff deformation imaging was performed on model eyes with artificial corneas made out of three different hydrogel materials with three different thicknesses and on porcine eyes, at constant intraocular pressure of 15 mmHg. The cornea air puff deformation was modeled using finite elements, and hyperelastic material parameters were determined through inverse modeling, minimizing the difference between the simulated and the measured central deformation amplitude and central-peripheral deformation ratio parameters. Uniaxial tensile tests were performed on the model cornea materials as well as on corneal strips, and the results were compared to stress-strain simulations assuming the reconstructed material parameters. The measured and simulated spatial and temporal profiles of the air puff deformation tests were in good agreement (< 7% average discrepancy). The simulated stress-strain curves of the studied hydrogel corneal materials fitted well the experimental stress-strain curves from uniaxial extensiometry, particularly in the 0-0.4 range. Equivalent Young´s moduli of the reconstructed material properties from air-puff were 0.31, 0.58 and 0.48 MPa for the three polymer materials respectively which differed < 1% from those obtained from extensiometry. The simulations of the same material but different thickness resulted in similar reconstructed material properties. The air-puff reconstructed average equivalent Young´s modulus of the porcine corneas was 1.3 MPa, within 18% of that obtained from extensiometry. Air puff corneal deformation imaging with inverse finite element modeling can retrieve material properties of model hydrogel polymer corneas and real corneas, which are in good correspondence with those obtained from uniaxial extensiometry, suggesting that this is a promising technique to retrieve quantitative corneal biomechanical properties.

Influence of raw material properties upon critical quality attributes of continuously produced granules and tablets.

PubMed

Fonteyne, Margot; Wickström, Henrika; Peeters, Elisabeth; Vercruysse, Jurgen; Ehlers, Henrik; Peters, Björn-Hendrik; Remon, Jean Paul; Vervaet, Chris; Ketolainen, Jarkko; Sandler, Niklas; Rantanen, Jukka; Naelapää, Kaisa; De Beer, Thomas

2014-07-01

Continuous manufacturing gains more and more interest within the pharmaceutical industry. The International Conference of Harmonisation (ICH) states in its Q8 'Pharmaceutical Development' guideline that the manufacturer of pharmaceuticals should have an enhanced knowledge of the product performance over a range of raw material attributes, manufacturing process options and process parameters. This fits further into the Process Analytical Technology (PAT) and Quality by Design (QbD) framework. The present study evaluates the effect of variation in critical raw material properties on the critical quality attributes of granules and tablets, produced by a continuous from-powder-to-tablet wet granulation line. The granulation process parameters were kept constant to examine the differences in the end product quality caused by the variability of the raw materials properties only. Theophylline-Lactose-PVP (30-67.5-2.5%) was used as model formulation. Seven different grades of theophylline were granulated. Afterward, the obtained granules were tableted. Both the characteristics of granules and tablets were determined. The results show that differences in raw material properties both affect their processability and several critical quality attributes of the resulting granules and tablets. Copyright © 2014 Elsevier B.V. All rights reserved.

Elastic Properties and Internal Friction of Two Magnesium Alloys at Elevated Temperatures

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

Freels, M.; Liaw, P. K.; Garlea, E.

2011-06-01

The elastic properties and internal friction of two magnesium alloys were studied from 25 C to 450 C using Resonant Ultrasound Spectroscopy (RUS). The Young's moduli decrease with increasing temperature. At 200 C, a change in the temperature dependence of the elastic constants is observed. The internal friction increases significantly with increasing temperature above 200 C. The observed changes in the temperature dependence of the elastic constants and the internal friction are the result of anelastic relaxation by grain boundary sliding at elevated temperatures. Elastic properties govern the behavior of a materials subjected to stress over a region of strainmore » where the material behaves elastically. The elastic properties, including the Young's modulus (E), shear modulus (G), bulk modulus (B), and Poisson's ratio (?), are of significant interest to many design and engineering applications. The choice of the most appropriate material for a particular application at elevated temperatures therefore requires knowledge of its elastic properties as a function of temperature. In addition, mechanical vibration can cause significant damage in the automotive, aerospace, and architectural industries and thus, the ability of a material to dissipate elastic strain energy in materials, known as damping or internal friction, is also important property. Internal friction can be the result of a wide range of physical mechanisms, and depends on the material, temperature, and frequency of the loading. When utilized effectively in engineering applications, the damping capacity of a material can remove undesirable noise and vibration as heat to the surroundings. The elastic properties of materials can be determined by static or dynamic methods. Resonant Ultrasound Spectroscopy (RUS), used in this study, is a unique and sophisticated non-destructive dynamic technique for determining the complete elastic tensor of a solid by measuring the resonant spectrum of mechanical resonance for a sample of known geometry, dimensions, and mass. In addition, RUS allows determination of internal friction, or damping, at different frequencies and temperatures. Polycrystalline pure magnesium (Mg) exhibits excellent high damping properties. However, the poor mechanical properties limit the applications of pure Mg. Although alloying can improve the mechanical properties of Mg, the damping properties are reduced with additions of alloying elements. Therefore, it becomes necessary to study and develop Mg-alloys with simultaneous high damping capacity and improved mechanical properties. Moreover, studies involving the high temperature dynamic elastic properties of Mg alloys are limited. In this study, the elastic properties and internal friction of two magnesium alloys were studied at elevated temperatures using RUS. The effect of alloy composition and grain size was investigated. The wrought magnesium alloys AZ31 and ZK60 were employed. Table 1 gives the nominal chemical compositions of these two alloys. The ZK60 alloy is a commercial extruded plate with a T5 temper, i.e. solution-treated at 535 C for two hours, quenched in hot water, and aged at 185 C for 24 hours. The AZ31 alloy is a commercial rolled plate with a H24 temper, i.e. strain hardened and partially annealed.« less

Light-Induced Capacitance Tunability in Ferroelectric Crystals.

PubMed

Páez-Margarit, David; Rubio-Marcos, Fernando; Ochoa, Diego A; Del Campo, Adolfo; Fernández, José F; García, José E

2018-06-25

The remote controlling of ferroic properties with light is nowadays a hot and highly appealing topic in materials science. Here, we shed light on some of the unresolved issues surrounding light-matter coupling in ferroelectrics. Our findings show that the capacitance and, consequently, its related intrinsic material property, i.e., the dielectric constant, can be reversibly adjusted through the light power control. High photodielectric performance is exhibited across a wide range of the visible light wavelength because of the wavelength-independence of the phenomenon. We have verified that this counterintuitive behavior can be strongly ascribed to the existence of "locally free charges" at domain wall.

The Homogenized Energy Model (HEM) for Characterizing Polarization and Strains in Hysteretic Ferroelectric Materials: Material Properties and Uniaxial Model Development

DTIC Science & Technology

2012-01-01

auto focusing mechanisms, energy harvesting , and pico air vehicle design. Their advantages include nanometer positioning resolution, broadband frequency...high speed camera shutters and auto focusing mechanisms energy harvesting , and pico air vehicle design. Their advantages include nanometer positioning...THIS PAGE unclassified Standard Form 298 (Rev. 8-98) Prescribed by ANSI Std Z39-18 Nomenclature d Piezoelectric constant (m/V = C/N) h

The extraordinary joint material of an articulated coralline alga. II. Modeling the structural basis of its mechanical properties.

PubMed

Denny, Mark W; King, Felicia A

2016-06-15

By incorporating joints into their otherwise rigid fronds, erect coralline algae have evolved to be as flexible as other seaweeds, which allows them to thrive - and even dominate space - on wave-washed shores around the globe. However, to provide the required flexibility, the joint tissue of Calliarthron cheilosporioides, a representative articulated coralline alga, relies on an extraordinary tissue that is stronger, more extensible and more fatigue resistant than that of other algae. Here, we used the results from recent experiments to parameterize a conceptual model that links the microscale architecture of cell walls to the adaptive mechanical properties of joint tissue. Our analysis suggests that the theory of discontinuous fiber-wound composite materials (with cellulose fibrils as the fibers and galactan gel as the matrix) can explain key aspects of the material's mechanics. In particular, its adaptive viscoelastic behavior can be characterized by two, widely separated time constants. We speculate that the short time constant (∼14 s) results from the viscous response of the matrix to the change in cell-wall shape as a joint is stretched, a response that allows the material both to remain flexible and to dissipate energy as a frond is lashed by waves. We propose that the long time constant (∼35 h), is governed by the shearing of the matrix between cellulose fibrils. The resulting high apparent viscosity ensures that joints avoid accumulating lethal deformation in the course of a frond's lifetime. Our synthesis of experimental measurements allows us to draw a chain of mechanistic inference from molecules to cell walls to fronds and community ecology. © 2016. Published by The Company of Biologists Ltd.

Synthesis of Nanocrystalline CaWO4 as Low-Temperature Co-fired Ceramic Material: Processing, Structural and Physical Properties

NASA Astrophysics Data System (ADS)

Vidya, S.; Solomon, Sam; Thomas, J. K.

2013-01-01

Nanocrystalline scheelite CaWO4, a promising material for low-temperature co-fired ceramic (LTCC) applications, has been successfully synthesized through a single-step autoignition combustion route. Structural analysis of the sample was performed by powder x-ray diffraction (XRD), Fourier-transform infrared spectroscopy, and Raman spectroscopy. The XRD analysis revealed that the as-prepared sample was single phase with scheelite tetragonal structure. The basic optical properties and optical constants of the CaWO4 nanopowder were studied using ultraviolet (UV)-visible absorption spectroscopy, which showed that the material was a wide-bandgap semiconductor with bandgap of 4.7 eV at room temperature. The sample showed poor transmittance in the ultraviolet region but maximum transmission in the visible/near-infrared regions. The photoluminescence spectra recorded at different temperatures showed intense emission in the green region. The particle size estimated from transmission electron microscopy was 23 nm. The feasibility of CaWO4 for LTCC applications was studied from its sintering behavior. The sample was sintered at a relatively low temperature of 810°C to high density, without using any sintering aid. The surface morphology of the sintered sample was analyzed by scanning electron microscopy. The dielectric constant and loss factor of the sample measured at 5 MHz were found to be 10.50 and 1.56 × 10-3 at room temperature. The temperature coefficient of the dielectric constant was -88.71 ppm/°C. The experimental results obtained in this work demonstrate the potential of nano-CaWO4 as a low-temperature co-fired ceramic as well as an excellent luminescent material.

Rationalizing the photophysical properties of BODIPY laser dyes via aromaticity and electron-donor-based structural perturbations

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

Waddell, Paul G.; Liu, Xiaogang; Zhao, Teng

2015-05-01

The absorption and fluorescence properties of six boron dipyrromethene (BODIPY) laser dyes with simple non-aromatic substituents are rationalized by relating them to observable structural perturbations within the molecules of the dyes. An empirical relationship involving the structure and the optical properties is derived using a combination of single-crystal X-ray diffraction data, quantum chemical calculations and electronic constants: i.e. the tendency of the pyrrole bond lengths towards aromaticity and the UV-vis absorption and fluorescence wavelengths correlating with the electron-donor properties of the substituents. The effect of molecular conformation on the solid-state optical properties of the dyes is also discussed. The findingsmore » in this study also demonstrate the usefulness and limitations of using crystal structure data to develop structure-property relationships in this class of optical materials, contributing to the growing effort to design optoelectronic materials with tunable properties via molecular engineering.« less

Micropolar continuum modelling of bi-dimensional tetrachiral lattices

PubMed Central

Chen, Y.; Liu, X. N.; Hu, G. K.; Sun, Q. P.; Zheng, Q. S.

2014-01-01

The in-plane behaviour of tetrachiral lattices should be characterized by bi-dimensional orthotropic material owing to the existence of two orthogonal axes of rotational symmetry. Moreover, the constitutive model must also represent the chirality inherent in the lattices. To this end, a bi-dimensional orthotropic chiral micropolar model is developed based on the theory of irreducible orthogonal tensor decomposition. The obtained constitutive tensors display a hierarchy structure depending on the symmetry of the underlying microstructure. Eight additional material constants, in addition to five for the hemitropic case, are introduced to characterize the anisotropy under Z2 invariance. The developed continuum model is then applied to a tetrachiral lattice, and the material constants of the continuum model are analytically derived by a homogenization process. By comparing with numerical simulations for the discrete lattice, it is found that the proposed continuum model can correctly characterize the static and wave properties of the tetrachiral lattice. PMID:24808754

DFT investigations on mechanical stability, electronic structure and magnetism in Co2TaZ (Z = Al, Ga, In) heusler alloys

NASA Astrophysics Data System (ADS)

Khandy, Shakeel Ahmad; Gupta, Dinesh C.

2017-12-01

Ferromagnetic Heusler compounds have vast and imminent applications for novel devices, smart materials thanks to density functional theory (DFT) based simulations, which have scored out a new approach to study these materials. We forecast the structural stability of Co2TaZ alloys on the basis of total energy calculations and mechanical stability criteria. The elastic constants, robust spin-polarized ferromagnetism and electron densities in these half-metallic alloys are also discussed. The observed structural aspects calculated to predict the stability and equilibrium lattice parameters agree well with the experimental results. The elastic parameters like elastic constants, bulk, Young’s and shear moduli, poison’s and Pugh ratios, melting temperatures, etc have been put together to establish their mechanical properties. The elaborated electronic band structures along with indirect band gaps and spin polarization favour the application of these materials in spintronics and memory device technology.

Determining the hydraulic properties of saturated, low-permeability geological materials in the laboratory: Advances in theory and practice

USGS Publications Warehouse

Zhang, M.; Takahashi, M.; Morin, R.H.; Endo, H.; Esaki, T.; ,

2002-01-01

The accurate hydraulic characterization of low-permeability subsurface environments has important practical significance. In order to examine this issue from the perspective of laboratory-based approaches, we review some recent advancements in the theoretical analyses of three different laboratory techniques specifically applied to low-permeability geologic materials: constant-head, constant flow-rate and transient-pulse permeability tests. Some potential strategies for effectively decreasing the time required to confidently estimate the permeability of these materials are presented. In addition, a new and versatile laboratory system is introduced that can implement any of these three test methods while simultaneously subjecting a specimen to high confining pressures and pore pressures, thereby simulating in situ conditions at great depths. The capabilities and advantages of this innovative system are demonstrated using experimental data derived from Shirahama sandstone and Inada granite, two rock types widely encountered in Japan.

Compressive Strength of Cometary Surfaces Derived from Radar Observations

NASA Astrophysics Data System (ADS)

ElShafie, A.; Heggy, E.

2014-12-01

Landing on a comet nucleus and probing it, mechanically using harpoons, penetrometers and drills, and electromagnetically using low frequency radar waves is a complex task that will be tackled by the Rosetta mission for Comet 67P/Churyumov-Gerasimenko. The mechanical properties (i.e. density, porosity and compressive strength) and the electrical properties (i.e. the real and imaginary parts of the dielectric constant) of the comet nucleus, constrain both the mechanical and electromagnetic probing capabilities of Rosetta, as well as the choice of landing site, the safety of the landing, and subsurface data interpretation. During landing, the sounding radar data that will be collected by Rosetta's CONSERT experiment can be used to probe the comet's upper regolith layer by assessing its dielectric properties, which are then inverted to retrieve the surface mechanical properties. These observations can help characterize the mechanical properties of the landing site, which will optimize the operation of the anchor system. In this effort, we correlate the mechanical and electrical properties of cometary analogs to each other, and derive an empirical model that can be used to retrieve density, porosity and compressive strength from the dielectric properties of the upper regolith inverted from CONSERT observations during the landing phase. In our approach we consider snow as a viable cometary material analog due to its low density and its porous nature. Therefore, we used the compressive strength and dielectric constant measurements conducted on snow at a temperature of 250 K and a density range of 0.4-0.9 g/cm3 in order to investigate the relation between compressive strength and dielectric constant under cometary-relevant density range. Our results suggest that compressive strength increases linearly as function of the dielectric constant over the observed density range mentioned above. The minimum and maximum compressive strength of 0.5 and 4.5 MPa corresponded to a dielectric constant of 2.2 and 3.4 over the density range of 0.4-0.9 g/cm3. This preliminary correlation will be applied to the case of porous and dust contaminated snow under different temperatures to assess the surface mechanical properties for Comet 67P.

Electron counting and a large family of two-dimensional semiconductors

NASA Astrophysics Data System (ADS)

Miao, Maosheng; Botana, Jorge; Zurek, Eva; Liu, Jingyao; Yang, Wen

Two-dimensional semiconductors (2DSC) are currently the focus of many studies, thanks to their novel and superior transport properties that may greatly influence future electronic devices. The potential applications of 2DSCs range from low-dimensional electronics, topological insulators and vallytronics all the way to novel photolysis. However, compared with the conventional semiconductors that are comprised of main group elements and cover a large range of band gaps and lattice constants, the choice of 2D materials is very limited. In this work, we propose and demonstrate a large family of 2DSCs, all adopting the same structure and consisting of only main group elements. Using advanced density functional calculations, we demonstrate the attainability of these materials, and show that they cover a large range of lattice constants, band gaps and band edge states, making them good candidate materials for heterojunctions. This family of two dimensional materials may be instrumental in the fabrication of 2DSC devices that may rival the currently employed 3D semiconductors.

Evaluation of mechanical and transport properties of Zr2CoSi Heusler alloy

NASA Astrophysics Data System (ADS)

Yousuf, Saleem; Khandy, S. A.; Bhat, T. M.; Gupta, D. C.

2017-05-01

Systematic investigation of mechanical and transport properties of Zr2CoSi within the density functional theory have been analysed. From the elastic constants, the shear modulus, Young's modulus, Poisson's ratio, we conclude the ductile nature of alloy. Thermoelectric properties show that Zr2CoSi as an n-type thermoelectric material with a higher increase in Seebeck coefficient with temperature. Further the power factor analysis confirms the heavily doping of the alloy fruitful for increase in thermoelectric performance and its use for the future thermoelectric spin generators.

Optical properties and Faraday effect of ceramic terbium gallium garnet for a room temperature Faraday rotator.

PubMed

Yoshida, Hidetsugu; Tsubakimoto, Koji; Fujimoto, Yasushi; Mikami, Katsuhiro; Fujita, Hisanori; Miyanaga, Noriaki; Nozawa, Hoshiteru; Yagi, Hideki; Yanagitani, Takagimi; Nagata, Yutaka; Kinoshita, Hiroo

2011-08-01

The optical properties, Faraday effect and Verdet constant of ceramic terbium gallium garnet (TGG) have been measured at 1064 nm, and were found to be similar to those of single crystal TGG at room temperature. Observed optical characteristics, laser induced bulk-damage threshold and optical scattering properties of ceramic TGG were compared with those of single crystal TGG. Ceramic TGG is a promising Faraday material for high-average-power YAG lasers, Yb fiber lasers and high-peak power glass lasers for inertial fusion energy drivers.

Application of spark plasma sintering for fabricating Nd-Fe-B composite

NASA Astrophysics Data System (ADS)

Sivkov, A. A.; Ivashutenko, A. S.; Lomakina, A. A.

2015-10-01

Constant magnets are applied in such fields as electric equipment and electric generators with fixed rotor. Rare earth metal neodymium is well known as promising material. Production of magnets by sintering three elements (neodymium, iron and boron) is one the most promising methods. But there are difficulties in choosing the right temperature for sintering and further processing. Structure and properties of the product, consisted of rare earth metals, was analyzed. X-ray analysis of the resulting product and the finished constant magnet was performed. Vickers microhardness was obtained.

Advances in Integrated Computational Materials Engineering "ICME"

NASA Astrophysics Data System (ADS)

Hirsch, Jürgen

The methods of Integrated Computational Materials Engineering that were developed and successfully applied for Aluminium have been constantly improved. The main aspects and recent advances of integrated material and process modeling are simulations of material properties like strength and forming properties and for the specific microstructure evolution during processing (rolling, extrusion, annealing) under the influence of material constitution and process variations through the production process down to the final application. Examples are discussed for the through-process simulation of microstructures and related properties of Aluminium sheet, including DC ingot casting, pre-heating and homogenization, hot and cold rolling, final annealing. New results are included of simulation solution annealing and age hardening of 6xxx alloys for automotive applications. Physically based quantitative descriptions and computer assisted evaluation methods are new ICME methods of integrating new simulation tools also for customer applications, like heat affected zones in welding of age hardening alloys. The aspects of estimating the effect of specific elements due to growing recycling volumes requested also for high end Aluminium products are also discussed, being of special interest in the Aluminium producing industries.

Improvement of Functional Properties by Sever Plastic Deformation on Parts of Titanium Biomaterials

NASA Astrophysics Data System (ADS)

Czán, Andrej; Babík, Ondrej; Daniš, Igor; Martikáň, Pavol; Czánová, Tatiana

2017-12-01

Main task of materials for invasive implantology is their biocompatibility with the tissue but also requirements for improving the functional properties of given materials are increasing constantly. One of problems of materials biocompatibility is the impossibility to improve of functional properties by change the percentage of the chemical elements and so it is necessary to find other innovative methods of improving of functional properties such as mechanical action in the form of high deformation process. This paper is focused on various methods of high deformation process such as Equal Channel Angular Pressing (ECAP) when rods with record strength properties were obtained.The actual studies of the deformation process properties as tri-axial compress stress acting on workpiece with high speed of deformation shows effects similar to results obtained using the other methods, but in lower levels of stress. Hydrostatic extrusion (HE) is applying for the purpose of refining the structure of the commercially pure titanium up to nano-scale. Experiments showed the ability to reduce the grain size below 100 nm. Due to the significant change in the performance of the titanium materials by severe plastic deformation is required to identify the processability of materials with respect to the identification of created surfaces and monitoring the surface integrity, where the experimental results show ability of SPD technologies application on biomaterials.

Long-time dynamic compatibility of elastomeric materials with hydrazine

NASA Technical Reports Server (NTRS)

Coulbert, C. D.; Cuddihy, E. F.; Fedors, R. F.

1973-01-01

The tensile property surfaces for two elastomeric materials, EPT-10 and AF-E-332, were generated in air and in liquid hydrazine environments using constant strain rate tensile tests over a range of temperatures and elongation rates. These results were used to predict the time-to-rupture for these materials in hydrazine as a function of temperature and amount of strain covering a span of operating times from less than a minute to twenty years. The results of limited sheet-folding tests and their relationship to the tensile failure boundary are presented and discussed.

Fabrication, Characterization, And Deformation of 3D Structural Meta-Materials

NASA Astrophysics Data System (ADS)

Montemayor, Lauren C.

Current technological advances in fabrication methods have provided pathways to creating architected structural meta-materials similar to those found in natural organisms that are structurally robust and lightweight, such as diatoms. Structural meta-materials are materials with mechanical properties that are determined by material properties at various length scales, which range from the material microstructure (nm) to the macro-scale architecture (mum -- mm). It is now possible to exploit material size effect, which emerge at the nanometer length scale, as well as structural effects to tune the material properties and failure mechanisms of small-scale cellular solids, such as nanolattices. This work demonstrates the fabrication and mechanical properties of 3-dimensional hollow nanolattices in both tension and compression. Hollow gold nanolattices loaded in uniaxial compression demonstrate that strength and stiffness vary as a function of geometry and tube wall thickness. Structural effects were explored by increasing the unit cell angle from 30° to 60° while keeping all other parameters constant; material size effects were probed by varying the tube wall thickness, t, from 200nm to 635nm, at a constant relative density and grain size. In-situ uniaxial compression experiments reveal an order-of-magnitude increase in yield stress and modulus in nanolattices with greater lattice angles, and a 150% increase in the yield strength without a concomitant change in modulus in thicker-walled nanolattices for fixed lattice angles. These results imply that independent control of structural and material size effects enables tunability of mechanical properties of 3-dimensional architected meta-materials and highlight the importance of material, geometric, and microstructural effects in small-scale mechanics. This work also explores the flaw tolerance of 3D hollow-tube alumina kagome nanolattices with and without pre-fabricated notches, both in experiment and simulation. Experiments demonstrate that the hollow kagome nanolattices in uniaxial tension always fail at the same load when the ratio of notch length (a) to sample width (w) is no greater than 1/3, with no correlation between failure occurring at or away from the notch. For notches with (a/w) > 1/3, the samples fail at lower peak loads and this is attributed to the increased compliance as fewer unit cells span the un-notched region. Finite element simulations of the kagome tension samples show that the failure is governed by tensile loading for (a/w) < 1/3 but as ( a/w) increases, bending begins to play a significant role in the failure. This work explores the flaw sensitivity of hollow alumina kagome nanolattices in tension, using experiments and simulations, and demonstrates that the discrete-continuum duality of architected structural meta-materials gives rise to their flaw insensitivity even when made entirely of intrinsically brittle materials.

The effect of ultra-violet light curing on the molecular structure and fracture properties of an ultra low-k material

NASA Astrophysics Data System (ADS)

Smith, Ryan Scott

As the gate density increases in microelectronic devices, the interconnect delay or RC response also increases and has become the limiting delay to faster devices. In order to decrease the RC time delay, a new metallization scheme has been chosen by the semiconductor industry. Copper has replaced aluminum as the metal lines and new low-k dielectric materials are being developed to replace silicon dioxide. A promising low-k material is porous organosilicate glass or p-OSG. The p-OSG film is a hybrid material where the silicon dioxide backbone is terminated with methyl or hydrogen, reducing the dielectric constant and creating mechanically weak films that are prone to fracture. A few methods of improving the mechanical properties of p-OSG films have been attempted-- exposing the film to hydrogen plasma, electron beam curing, and ultra-violet light curing. Hydrogen plasma and electron-beam curing suffer from a lack of specificity and can cause charging damage to the gates. Therefore, ultra-violet light curing (UV curing) is preferable. The effect of UV curing on an ultra-low-k, k~2.5, p-OSG film is studied in this dissertation. Changes in the molecular structure were measured with Fourier Transform Infrared Spectroscopy and X-ray Photoelectron Spectroscopy. The evolution of the molecular structure with UV curing was correlated with material and fracture properties. The material properties were film shrinkage, densification, and an increase in dielectric constant. From the changes in molecular structure and material properties, a set of condensation reactions with UV light are predicted. The connectivity of the film increases with the condensation reactions and, therefore, the fracture toughness should also increase. The effect of UV curing on the critical and sub-critical fracture toughness was also studied. The critical fracture toughness was measured at four different mode-mixes-- zero, 15°, 32°, and 42°. It was found that the critical fracture toughness increases with UV exposure for all mode mixes. The sub-critical fracture toughness was measured in Mode I and found to be insensitive to UV cure. A simple reaction rate model is used to explain the difference in critical and sub-critical fracture toughness.

Residual Stresses and Thermo-Mechanical Behavior of Metal-Matrix Composites

DTIC Science & Technology

1984-01-01

necessary and identify by block number) ELO I GROUP I Sue. GR. I Metal-matrix composites Silicon -carbide/Aluminum Graphite/Alumimun Cross-plied laminate I...aluminum, tungsten/aluminum and silicon -carbide aluminum composites . For the graphite/aluminum material a parametric study was carried out on the...PROPERTIES AS GIVEN IN TABLE 2.1. 5 3.1 CALCULATED THERUMOELASTIC PROPERTIES OF A TUNG- STEN /AL 2024 COMPOSITE 54 5.1 INPUT ELASTIC CONSTANTS FOR FIBER AND

Polymer/Carbon-Based Hybrid Aerogels: Preparation, Properties and Applications

PubMed Central

Zuo, Lizeng; Zhang, Youfang; Zhang, Longsheng; Miao, Yue-E; Fan, Wei; Liu, Tianxi

2015-01-01

Aerogels are synthetic porous materials derived from sol-gel materials in which the liquid component has been replaced with gas to leave intact solid nanostructures without pore collapse. Recently, aerogels based on natural or synthetic polymers, called polymer or organic aerogels, have been widely explored due to their porous structures and unique properties, such as high specific surface area, low density, low thermal conductivity and dielectric constant. This paper gives a comprehensive review about the most recent progresses in preparation, structures and properties of polymer and their derived carbon-based aerogels, as well as their potential applications in various fields including energy storage, adsorption, thermal insulation and flame retardancy. To facilitate further research and development, the technical challenges are discussed, and several future research directions are also suggested in this review. PMID:28793602

Theoretical studies on leaky-SAW properties influenced by layers on anisotropic piezoelectric crystals.

PubMed

Wallner, P; Ruile, W; Weigel, R

2000-01-01

Theoretical studies on the behavior of leaky-SAW (LSAW) properties in layered structures were performed. For these calculations rotYX LiTaO (3) and rotYX LiNbO(3) LSAW crystal cuts were used, assuming different layer materials. For LSAWs both the velocity and the inherent loss due to bulk wave emission into the substrate are strongly influenced by distinct layer parameters. As a result, these layer properties like elastic constants or thickness have shown a strong influence on the crystal cut angle of minimum LSAW loss. Moreover, for soft and stiff layer materials, a different shift of the LSAW loss minimum can occur. Therefore, using double-layer structures, the shift of the LSAW loss minimum can be influenced by appropriate chosen layers and ratios.

Effect of polarization field on mean free path of phonons in indium nitride

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

Sahoo, Sushant Kumar

2016-05-06

The effect of built-in-polarization field on mean free path of acoustic phonons in bulk wurtzite indium nitride (InN) has been theoretically investigated. The elastic constant of the material gets modified due to the existence of polarization field. As a result velocity and Debye frequency of phonons get enhanced. The various scattering rates of phonons are suppressed by the effect of polarization field, which implies an enhanced combined relaxation time. Thus phonons travel freely for a longer distance between two successive scatterings. This would enhance the thermal transport properties of the material when built-in-polarization field taken into account. Hence by themore » application of electric field the transport properties of such materials can be controlled as and when desired.« less

Water permeation and electrical properties of pottants, backings, and pottant/backing composites

NASA Technical Reports Server (NTRS)

Orehotsky, J.

1986-01-01

It is reported that the interface between plastic film back covers and ethylene vinyl acetates (EVA) or polyvinyl butyral (PVB) in photovoltaic modules can influence water permeation, and electrial properties of the composites such as leakage current and dielectric constant. The interface can either be one of two dissimilar materials in physical contact with no intermixing, or the interface can constitute a thin zone which is an interphase of the two materials having a gradient composition from one material to the other. The former condition is described as a discrete interface. A discrete interface model was developed to predict water permeation, dielectric strength, and leakage current for EVA, ethylene methyl acrylate (EMA), and PVB coupled to Tedlar and mylar films. Experimental data was compared with predicted data.

Process feasibility study in support of silicon material task 1

NASA Technical Reports Server (NTRS)

Li, K. Y.; Hansen, K. C.; Yaws, C. L.

1978-01-01

Process system properties are analyzed for materials involved in the alternate processes under consideration for solar cell grade silicon. The following property data are reported for trichlorosilane: critical constants, vapor pressure, heat of vaporization, gas heat capacity, liquid heat capacity, density, surface tension, viscosity, thermal conductivity, heat of formation, and Gibb's free energy of formation. Work continued on the measurement of gas viscosity values of silicon source materials. Gas phase viscosity values for silicon tetrafluoride between 40 C and 200 C were experimentally determined. Major efforts were expended on completion of the preliminary economic analysis of the silane process. Cost, sensitivity and profitability analysis results are presented based on a preliminary process design of a plant to produce 1,000 metric tons/year of silicon by the revised process.

Segmented nanowires displaying locally controllable properties

DOEpatents

Sutter, Eli Anguelova; Sutter, Peter Werner

2013-03-05

Vapor-liquid-solid growth of nanowires is tailored to achieve complex one-dimensional material geometries using phase diagrams determined for nanoscale materials. Segmented one-dimensional nanowires having constant composition display locally variable electronic band structures that are determined by the diameter of the nanowires. The unique electrical and optical properties of the segmented nanowires are exploited to form electronic and optoelectronic devices. Using gold-germanium as a model system, in situ transmission electron microscopy establishes, for nanometer-sized Au--Ge alloy drops at the tips of Ge nanowires (NWs), the parts of the phase diagram that determine their temperature-dependent equilibrium composition. The nanoscale phase diagram is then used to determine the exchange of material between the NW and the drop. The phase diagram for the nanoscale drop deviates significantly from that of the bulk alloy.

Properties and Applications of Lossy Metamaterials

DTIC Science & Technology

2011-12-01

Ring ENG Epsilon-Negative MNG Mu-Negative SNG Single-Negative NRI Negative Refractive Index FIT Finite Integration Technique xiv THIS PAGE...r r r rB ε µ ε µ′ ′′ ′′ ′= + parameters. A classification of double positive (DPS), double negative (DNG) and single negative ( SNG ) materials with...negative, and when 0B > the phase constant and the refractive index are both positive. The parameter A is negative in SNG materials but can be positive or

Lambert-Beer law in ocean waters: optical properties of water and of dissolved/suspended material, optical energy budgets.

PubMed

Stavn, R H

1988-01-15

The role of the Lambert-Beer law in ocean optics is critically examined. The Lambert-Beer law and the three-parameter model of the submarine light field are used to construct an optical energy budget for any hydrosol. It is further applied to the analytical exponential decay coefficient of the light field and used to estimate the optical properties and effects of the dissolved/suspended component in upper ocean layers. The concepts of the empirical exponential decay coefficient (diffuse attenuation coefficient) of the light field and a constant exponential decay coefficient for molecular water are analyzed quantitatively. A constant exponential decay coefficient for water is rejected. The analytical exponential decay coefficient is used to analyze optical gradients in ocean waters.

Molecular dynamics simulations to calculate glass transition temperature and elastic constants of novel polyethers.

PubMed

Sarangapani, Radhakrishnan; Reddy, Sreekantha T; Sikder, Arun K

2015-04-01

Molecular dynamics simulations studies are carried out on hydroxyl terminated polyethers that are useful in energetic polymeric binder applications. Energetic polymers derived from oxetanes with heterocyclic side chains with different energetic substituents are designed and simulated under the ensembles of constant particle number, pressure, temperature (NPT) and constant particle number, volume, temperature (NVT). Specific volume of different amorphous polymeric models is predicted using NPT-MD simulations as a function of temperature. Plots of specific volume versus temperature exhibited a characteristic change in slope when amorphous systems change from glassy to rubbery state. Several material properties such as Young's, shear, and bulk modulus, Poisson's ratio, etc. are predicted from equilibrated structures and established the structure-property relations among designed polymers. Energetic performance parameters of these polymers are calculated and results reveal that the performance of the designed polymers is comparable to the benchmark energetic polymers like polyNIMMO, polyAMMO and polyBAMO. Overall, it is worthy remark that this molecular simulations study on novel energetic polyethers provides a good guidance on mastering the design principles and allows us to design novel polymers of tailored properties. Copyright © 2015 Elsevier Inc. All rights reserved.

Organic/Inorganic Nano-hybrids with High Dielectric Constant for Organic Thin Film Transistor Applications

NASA Astrophysics Data System (ADS)

Yu, Yang-Yen; Jiang, Ai-Hua; Lee, Wen-Ya

2016-11-01

The organic material soluble polyimide (PI) and organic-inorganic hybrid PI-barium titanate (BaTiO3) nanoparticle dielectric materials (IBX, where X is the concentration of BaTiO3 nanoparticles in a PI matrix) were successfully synthesized through a sol-gel process. The effects of various BaTiO3 contents on the hybrid film performance and performance optimization were investigated. Furthermore, pentacene-based organic thin film transistors (OTFTs) with PI-BaTiO3/polymethylmethacrylate or cyclic olefin copolymer (COC)-modified gate dielectrics were fabricated and examined. The hybrid materials showed effective dispersion of BaTiO3 nanoparticles in the PI matrix and favorable thermal properties. X-ray diffraction patterns revealed that the BaTiO3 nanoparticles had a perovskite structure. The hybrid films exhibited high formability and planarity. The IBX hybrid dielectric films exhibited tunable insulating properties such as the dielectric constant value and capacitance in ranges of 4.0-8.6 and 9.2-17.5 nF cm-2, respectively. Adding the modified layer caused the decrease of dielectric constant values and capacitances. The modified dielectric layer without cross-linking displayed a hydrophobic surface. The electrical characteristics of the pentacene-based OTFTs were enhanced after the surface modification. The optimal condition for the dielectric layer was 10 wt% hybrid film with the COC-modified layer; moreover, the device exhibited a threshold voltage of 0.12 V, field-effect mobility of 4.32 × 10-1 cm2 V-1 s-1, and on/off current of 8.4 × 107.

Material properties and fractography of an indirect dental resin composite.

PubMed

Quinn, Janet B; Quinn, George D

2010-06-01

Determination of material and fractographic properties of a dental indirect resin composite material. A resin composite (Paradigm, 3M-ESPE, MN) was characterized by strength, static elastic modulus, Knoop hardness, fracture toughness and edge toughness. Fractographic analyses of the broken bar surfaces was accomplished with a combination of optical and SEM techniques, and included determination of the type and size of the failure origins, and fracture mirror and branching constants. The flexure test mean strength+/-standard deviation was 145+/-17 MPa, and edge toughness, T(e), was 172+/-12N/mm. Knoop hardness was load dependent, with a plateau at 0.99+/-0.02 GPa. Mirrors in the bar specimens were measured with difficulty, resulting in a mirror constant of approximately 2.6 MPa m(1/2). Fracture in the bar specimens initiated at equiaxed material flaws that had different filler concentrations that sometimes were accompanied by partial microcracks. Using the measured flaw sizes, which ranged from 35 to 100 microm in size, and using estimates of the stress intensity shape factors, fracture toughness was estimated to be 1.1+/-0.2 MPa m(1/2). Coupling the flexure tests with fractographic examination enabled identification of the intrinsic strength limiting flaws. The same techniques could be useful in determining if clinical restorations of similar materials fail from the same causes. The existence of a strong load-dependence of the Knoop hardness of the resin composite is not generally mentioned in the literature, and is important for material comparisons and wear evaluation studies. Finally, the edge toughness test was found promising as a quantitative measure of resistance to edge chipping, an important failure mode in this class of materials. Copyright (c) 2010 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Ab initio Computations of the Electronic, Mechanical, and Thermal Properties of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2

NASA Technical Reports Server (NTRS)

Lawson, John W.; Bauschlicher, Charles W.; Daw, Murray

2011-01-01

Refractory materials such as metallic borides, often considered as ultra high temperature ceramics (UHTC), are characterized by high melting point, high hardness, and good chemical inertness. These materials have many applications which require high temperature materials that can operate with no or limited oxidation. Ab initio, first principles methods are the most accurate modeling approaches available and represent a parameter free description of the material based on the quantum mechanical equations. Using these methods, many of the intrinsic properties of these material can be obtained. We performed ab initio calculations based on density functional theory for the UHTC materials ZrB2 and HfB2. Computational results are presented for structural information (lattice constants, bond lengths, etc), electronic structure (bonding motifs, densities of states, band structure, etc), thermal quantities (phonon spectra, phonon densities of states, specific heat), as well as information about point defects such as vacancy and antisite formation energies.

Dielectric Properties of Iron- and Sodium-Fumarate

NASA Astrophysics Data System (ADS)

Skuban, Sonja J.; Džomić, Tanja; Kapor, Agneš

2007-04-01

The behaviour of dielectric parameters such as relative dielectric constant (ɛ'), relative loss factor (V'') and ac conductivity of well known pharmaceutical materials Fe(II)-fumarate and sodium-fumarate have been studied as a function of temperature (range 303 K to 483 K) and frequency (range 0.1 Hz to 100 kHz).

Vibrational properties and bonding nature of Sb2Se3 and their implications for chalcogenide materials† †Electronic supplementary information (ESI) available: Additional computational data and discussion. See DOI: 10.1039/c5sc00825e Click here for additional data file.

PubMed Central

Deringer, Volker L.; Stoffel, Ralf P.; Wuttig, Matthias

2015-01-01

Antimony selenide (antimonselite, Sb2Se3) is a versatile functional material with emerging applications in solar cells. It also provides an intriguing prototype to study different modes of bonding in solid chalcogenides, all within one crystal structure. In this study, we unravel the complex bonding nature of crystalline Sb2Se3 by using an orbital-based descriptor (the crystal orbital Hamilton population, COHP) and by analysing phonon properties and interatomic force constants. We find particularly interesting behaviour for the medium-range Sb···Se contacts, which still contribute significant stabilisation but are much softer than the “traditional” covalent bonds. These results have implications for the assembly of Sb2Se3 nanostructures, and bond-projected force constants appear as a useful microscopic descriptor for investigating a larger number of chalcogenide functional materials in the future. PMID:29449929

Parameterizing the equilibrium distribution of chemicals between the dissolved, solid particulate matter, and colloidal matter compartments in aqueous systems

USGS Publications Warehouse

Pankow, J.F.; McKenzie, S.W.

1991-01-01

The manner in which a chemical material partitions among the dissolved (D), participate (P), and colloidal (C) phases affects both its chemical and physical behavior in the aquatic environment. The fractions of the chemical that are present in each of these three phases will be determined by the values of two simple parameters, KpSp/??w and KcSc/??w. The variables Kp and Kc are the particle/water and colloid/water partition constants (mL/g), respectively, Sp and Sc are the volume concentrations of particulate and colloidal material (mg/L), respectively, and ??w is the fractional volume of the system that is aqueous. This parameterization allows a rapid overview of how partitioning (1) changes as a function of chemical partitioning properties and water type, (2) affects apparent partition constants (i.e., Kpapp values) computed between the particulate phase and the remainder of the system, and (3) causes Kpapp values to become independent of chemical properties at high values of KcSc/??w. ?? 1991 American Chemical Society.

Electronic structure and defect properties of selenophosphate Pb2P2Se6 for γ-ray detection

NASA Astrophysics Data System (ADS)

Kontsevoi, Oleg Y.; Im, Jino; Wessels, Bruce W.; Kanatzidis, Mercouri G.; Freeman, Arthur J.

Heavy metal chalco-phosphate Pb2P2Se6 has shown a significant promise as an X-ray and γ-ray detector material. To assess the fundamental physical properties important for its performance as detector, theoretical calculations were performed for the electronic structure, band gaps, electron and hole effective masses, and static dielectric constants. The calculations were based on first-principles density functional theory (DFT) and employ the highly precise full potential linearized augmented plane wave method and the projector augmented wave method and include nonlocal exchange-correlation functionals to overcome the band gap underestimation in DFT calculations. The calculations show that Pb2P2Se6 is an indirect band gap material with the calculated band gap of 2.0 eV, has small effective masses, which could result in a good carrier mobility-lifetime product μτ , and a very high static dielectric constant, which could lead to high mobility of carriers by screening of charged scattering centers. We further investigated a large set of native defects in Pb2P2Se6 to determine the optimal growth conditions for application as γ-ray detectors. The results suggest that the prevalent intrinsic defects are selenium vacancies, followed by lead vacancies, then phosphorus vacancies and antisite defects. The effect of various chemical environments on defect properties was examined and the optimal conditions for material synthesis were suggested. Supported by DHS (Grant No. 2014-DN-077-ARI086-01).

Investigation of the structural, mechanical, dynamical and thermal properties of CsCaF3 and CsCdF3

NASA Astrophysics Data System (ADS)

Salmankurt, Bahadır; Duman, Sıtkı

2016-04-01

The structural, mechanical, dynamical and thermal properties of CsCaF3 and CsCdF3 are presented by using an ab initio pseudopotential method and a linear response scheme, within the generalized gradient approximation. The obtained structural and mechanical properties are in good agreement with other available theoretical and experimental studies. The calculated elastic constants of these materials obey the cubic stability conditions. It has been found that CsCaF3 is brittle whereas CsCdF3 has ductile manner. The full phonon dispersion curves of these materials are reported for the first time in the literature. We have found that calculated phonon modes are positive along the all symmetry directions, indicating that these materials are dynamically stable at the cubic structure. The obtained zone-center phonon modes for CsCaF3 (IR data) are found to be 83 (98) cm-1, 104 (115) cm-1, 120 cm-1, 180 (192) cm-1, 231 (250.5) cm-1, 361 (374) cm-1, 446 (449) cm-1. Also, we have calculated internal energy, Helmholtz free energy, constant-volume specific heat, entropy and Debye temperature as function of temperature. At the 300 K, specific heats are calculated to be 113.36 J mol-1 K-1 and 115.58 J mol-1 K-1 for CsCaF3 and CsCdF3 ,respectively, which are lower than Doulong-Petit limit (12 472 J mol-1 K-1).

Rationally designed polyimides for high-energy density capacitor applications.

PubMed

Ma, Rui; Baldwin, Aaron F; Wang, Chenchen; Offenbach, Ido; Cakmak, Mukerrem; Ramprasad, Rampi; Sotzing, Gregory A

2014-07-09

Development of new dielectric materials is of great importance for a wide range of applications for modern electronics and electrical power systems. The state-of-the-art polymer dielectric is a biaxially oriented polypropylene (BOPP) film having a maximal energy density of 5 J/cm(3) and a high breakdown field of 700 MV/m, but with a limited dielectric constant (∼2.2) and a reduced breakdown strength above 85 °C. Great effort has been put into exploring other materials to fulfill the demand of continuous miniaturization and improved functionality. In this work, a series of polyimides were investigated as potential polymer materials for this application. Polyimide with high dielectric constants of up to 7.8 that exhibits low dissipation factors (<1%) and high energy density around 15 J/cm(3), which is 3 times that of BOPP, was prepared. Our syntheses were guided by high-throughput density functional theory calculations for rational design in terms of a high dielectric constant and band gap. Correlations of experimental and theoretical results through judicious variations of polyimide structures allowed for a clear demonstration of the relationship between chemical functionalities and dielectric properties.

Highly tensile-strained Ge/InAlAs nanocomposites

NASA Astrophysics Data System (ADS)

Jung, Daehwan; Faucher, Joseph; Mukherjee, Samik; Akey, Austin; Ironside, Daniel J.; Cabral, Matthew; Sang, Xiahan; Lebeau, James; Bank, Seth R.; Buonassisi, Tonio; Moutanabbir, Oussama; Lee, Minjoo Larry

2017-01-01

Self-assembled nanocomposites have been extensively investigated due to the novel properties that can emerge when multiple material phases are combined. Growth of epitaxial nanocomposites using lattice-mismatched constituents also enables strain-engineering, which can be used to further enhance material properties. Here, we report self-assembled growth of highly tensile-strained Ge/In0.52Al0.48As (InAlAs) nanocomposites by using spontaneous phase separation. Transmission electron microscopy shows a high density of single-crystalline germanium nanostructures coherently embedded in InAlAs without extended defects, and Raman spectroscopy reveals a 3.8% biaxial tensile strain in the germanium nanostructures. We also show that the strain in the germanium nanostructures can be tuned to 5.3% by altering the lattice constant of the matrix material, illustrating the versatility of epitaxial nanocomposites for strain engineering. Photoluminescence and electroluminescence results are then discussed to illustrate the potential for realizing devices based on this nanocomposite material.

Transferable Reactive Force Fields: Extensions of ReaxFF-lg to Nitromethane.

PubMed

Larentzos, James P; Rice, Betsy M

2017-03-09

Transferable ReaxFF-lg models of nitromethane that predict a variety of material properties over a wide range of thermodynamic states are obtained by screening a library of ∼6600 potentials that were previously optimized through the Multiple Objective Evolutionary Strategies (MOES) approach using a training set that included information for other energetic materials composed of carbon, hydrogen, nitrogen, and oxygen. Models that best match experimental nitromethane lattice constants at 4.2 K and 1 atm are evaluated for transferability to high-pressure states at room temperature and are shown to better predict various liquid- and solid-phase structural, thermodynamic, and transport properties as compared to the existing ReaxFF and ReaxFF-lg parametrizations. Although demonstrated for an energetic material, the library of ReaxFF-lg models is supplied to the scientific community to enable new research explorations of complex reactive phenomena in a variety of materials research applications.

Highly tensile-strained Ge/InAlAs nanocomposites

PubMed Central

Jung, Daehwan; Faucher, Joseph; Mukherjee, Samik; Akey, Austin; Ironside, Daniel J.; Cabral, Matthew; Sang, Xiahan; Lebeau, James; Bank, Seth R.; Buonassisi, Tonio; Moutanabbir, Oussama; Lee, Minjoo Larry

2017-01-01

Self-assembled nanocomposites have been extensively investigated due to the novel properties that can emerge when multiple material phases are combined. Growth of epitaxial nanocomposites using lattice-mismatched constituents also enables strain-engineering, which can be used to further enhance material properties. Here, we report self-assembled growth of highly tensile-strained Ge/In0.52Al0.48As (InAlAs) nanocomposites by using spontaneous phase separation. Transmission electron microscopy shows a high density of single-crystalline germanium nanostructures coherently embedded in InAlAs without extended defects, and Raman spectroscopy reveals a 3.8% biaxial tensile strain in the germanium nanostructures. We also show that the strain in the germanium nanostructures can be tuned to 5.3% by altering the lattice constant of the matrix material, illustrating the versatility of epitaxial nanocomposites for strain engineering. Photoluminescence and electroluminescence results are then discussed to illustrate the potential for realizing devices based on this nanocomposite material. PMID:28128282

Controlled thermal expansion printed wiring boards based on liquid crystal polymer dielectrics

NASA Technical Reports Server (NTRS)

Knoll, Thomas E.; Blizard, Kent; Jayaraj, K.; Rubin, Leslie S.

1994-01-01

Dielectric materials based on innovative Liquid Crystal Polymers (LCP's) have been used to fabricate surface mount printed wiring boards (PWB's) with a coefficient of thermal expansion matched to leadless ceramic chip carriers. Proprietary and patented polymer processing technology has resulted in self reinforcing material with balanced in-plane mechanical properties. In addition, LCP's possess excellent electrical properties, including a low dielectric constant (less than 2.9) and very low moisture absorption (less than 0.02%). LCP-based multilayer boards processed with conventional drilling and plating processes show improved performance over other materials because they eliminate the surface flatness problems of glass or aramid reinforcements. Laser drilling of blind vias in the LCP dielectric provides a very high density for use in direct chip attach and area array packages. The material is ideally suited for MCM-L and PCMCIA applications fabricated with very thin dielectric layers of the liquid crystal polymer.

Determination of replicate composite bone material properties using modal analysis.

PubMed

Leuridan, Steven; Goossens, Quentin; Pastrav, Leonard; Roosen, Jorg; Mulier, Michiel; Denis, Kathleen; Desmet, Wim; Sloten, Jos Vander

2017-02-01

Replicate composite bones are used extensively for in vitro testing of new orthopedic devices. Contrary to tests with cadaveric bone material, which inherently exhibits large variability, they offer a standardized alternative with limited variability. Accurate knowledge of the composite's material properties is important when interpreting in vitro test results and when using them in FE models of biomechanical constructs. The cortical bone analogue material properties of three different fourth-generation composite bone models were determined by updating FE bone models using experimental and numerical modal analyses results. The influence of the cortical bone analogue material model (isotropic or transversely isotropic) and the inter- and intra-specimen variability were assessed. Isotropic cortical bone analogue material models failed to represent the experimental behavior in a satisfactory way even after updating the elastic material constants. When transversely isotropic material models were used, the updating procedure resulted in a reduction of the longitudinal Young's modulus from 16.00GPa before updating to an average of 13.96 GPa after updating. The shear modulus was increased from 3.30GPa to an average value of 3.92GPa. The transverse Young's modulus was lowered from an initial value of 10.00GPa to 9.89GPa. Low inter- and intra-specimen variability was found. Copyright © 2016 Elsevier Ltd. All rights reserved.

Properties of Ferrite Garnet (Bi, Lu, Y)3(Fe, Ga)5O12 Thin Film Materials Prepared by RF Magnetron Sputtering

PubMed Central

Nur-E-Alam, Mohammad; Belotelov, Vladimir; Alameh, Kamal

2018-01-01

This work is devoted to physical vapor deposition synthesis, and characterisation of bismuth and lutetium-substituted ferrite-garnet thin-film materials for magneto-optic (MO) applications. The properties of garnet thin films sputtered using a target of nominal composition type Bi0.9Lu1.85Y0.25Fe4.0Ga1O12 are studied. By measuring the optical transmission spectra at room temperature, the optical constants and the accurate film thicknesses can be evaluated using Swanepoel’s envelope method. The refractive index data are found to be matching very closely to these derived from Cauchy’s dispersion formula for the entire spectral range between 300 and 2500 nm. The optical absorption coefficient and the extinction coefficient data are studied for both the as-deposited and annealed garnet thin-film samples. A new approach is applied to accurately derive the optical constants data simultaneously with the physical layer thickness, using a combination approach employing custom-built spectrum-fitting software in conjunction with Swanepoel’s envelope method. MO properties, such as specific Faraday rotation, MO figure of merit and MO swing factor are also investigated for several annealed garnet-phase films. PMID:29789463

Preparation and Electrical Properties of La0.9Sr0.1TiO3+δ

PubMed Central

Li, Wenzhi; Ma, Zhuang; Gao, Lihong; Wang, Fuchi

2015-01-01

La1−xSrxTiO3+δ (LST) has been studied in many fields, especially in the field of microelectronics due to its excellent electrical performance. Our previous theoretical simulated work has suggested that LST has good dielectric properties, but there are rare reports about this, especially experimental reports. In this paper, LST was prepared using a solid-state reaction method. The X-rays diffraction (XRD), scanning electron microscope (SEM), broadband dielectric spectroscopy, impedance spectroscopy and photoconductive measurement were used to characterize the sample. The results show that the values of dielectric parameters (the relative dielectric constant εr and dielectric loss tanδ), dependent on temperature, are stable under 350 °C and the value of the relative dielectric constant and dielectric loss are about 52–88 and 6.5 × 10−3, respectively. Its value of conductivity increases with rise in temperature, which suggests its negative temperature coefficient of the resistance. In addition, the band gap of LST is about 3.39 eV, so it belongs to a kind of wide-band-gap semiconductor materials. All these indicate that LST has anti-interference ability and good dielectric properties. It could have potential applications as an electronic material. PMID:28787995

Solar cell array design handbook, volume 1

NASA Technical Reports Server (NTRS)

Rauschenbach, H. S.

1976-01-01

Twelve chapters discuss the following: historical developments, the environment and its effects, solar cells, solar cell filters and covers, solar cell and other electrical interconnections, blocking and shunt diodes, substrates and deployment mechanisms, material properties, design synthesis and optimization, design analysis, procurement, production and cost aspects, evaluation and test, orbital performance, and illustrative design examples. A comprehensive index permits rapid locating of desired topics. The handbook consists of two volumes: Volume 1 is of an expository nature while Volume 2 contains detailed design data in an appendix-like fashion. Volume 2 includes solar cell performance data, applicable unit conversion factors and physical constants, and mechanical, electrical, thermal optical, magnetic, and outgassing material properties. Extensive references are provided.

Magnesium-Aluminum-Zirconium Oxide Amorphous Ternary Composite: A Dense and Stable Optical Coating

NASA Technical Reports Server (NTRS)

Sahoo, N. K.; Shapiro, A. P.

1998-01-01

In the present work, the process parameter dependent optical and structural properties of MgO-Al(2)O(3)-ZrO(2) ternary mixed-composite material have been investigated. Optical properties were derived from spectrophotometric measurements. The surface morphology, grain size distributions, crystallographic phases and process dependent material composition of films have been investigated through the use of Atomic Force Microscopy (AFM), X-ray diffraction analysis and Energy Dispersive X- ray (EDX) analysis. EDX analysis made evident the correlation between the optical constants and the process dependent compositions in the films. It is possible to achieve environmentally stable amorphous films with high packing density under certain optimized process conditions.

MgO-Al2O3-ZrO2 Amorphous Ternary Composite: A Dense and Stable Optical Coating

NASA Technical Reports Server (NTRS)

Shaoo, Naba K.; Shapiro, Alan P.

1998-01-01

The process-parameter-dependent optical and structural properties of MgO-Al2O3-ZrO2 ternary mixed-composite material were investigated. Optical properties were derived from spectrophotometric measurements. The surface morphology, grain size distributions, crystallographic phases, and process- dependent material composition of films were investigated through the use of atomic force microscopy, x-ray diffraction analysis, and energy-dispersive x-ray analysis. Energy-dispersive x-ray analysis made evident the correlation between the optical constants and the process-dependent compositions in the films. It is possible to achieve environmentally stable amorphous films with high packing density under certain optimized process conditions.

Ferroelectric and Piezoelectric Properties of Gd3+ and Y3+ Modified Pkn Electroceramics

NASA Astrophysics Data System (ADS)

Rao, K. Sambasiva; Prasad, D. Madhava; Krishna, P. Murali; Lee, Joon Hyung

Ceramics with the composition Pb1-xK2x-3yMyNb2O6 (PKMN) with x = 0.29, y = 0.145 and M = Gd3+, Y3+ were synthesized by the solid-state reaction route between the corresponding oxides and carbonates. The crystal structure was confirmed by X-ray diffraction (XRD). The temperature dependence of dielectric properties were measured from 35 to 595°C. Well-developed P-E (polarization-electric field) hysteresis loops were observed in the materials. Determining the piezoelectric constants, Kp = 20%, Kt = 49%, d33 = 110, and quality factor, Qm = 33, reveals that the material Y3+-modified PKN can be useful for transducer applications.

Evaluation of Resilient Modulus of Subgrade and Base Materials in Indiana and Its Implementation in MEPDG

PubMed Central

Siddiki, Nayyarzia; Nantung, Tommy; Kim, Daehyeon

2014-01-01

In order to implement MEPDG hierarchical inputs for unbound and subgrade soil, a database containing subgrade M R, index properties, standard proctor, and laboratory M R for 140 undisturbed roadbed soil samples from six different districts in Indiana was created. The M R data were categorized in accordance with the AASHTO soil classifications and divided into several groups. Based on each group, this study develops statistical analysis and evaluation datasets to validate these models. Stress-based regression models were evaluated using a statistical tool (analysis of variance (ANOVA)) and Z-test, and pertinent material constants (k 1, k 2 and k 3) were determined for different soil types. The reasonably good correlations of material constants along with M R with routine soil properties were established. Furthermore, FWD tests were conducted on several Indiana highways in different seasons, and laboratory resilient modulus tests were performed on the subgrade soils that were collected from the falling weight deflectometer (FWD) test sites. A comparison was made of the resilient moduli obtained from the laboratory resilient modulus tests with those from the FWD tests. Correlations between the laboratory resilient modulus and the FWD modulus were developed and are discussed in this paper. PMID:24701162

Large Frequency Change with Thickness in Interlayer Breathing Mode—Significant Interlayer Interactions in Few Layer Black Phosphorus

NASA Astrophysics Data System (ADS)

Luo, Xin; Lu, Xin; Koon, Gavin Kok Wai; Castro Neto, Antonio H.; Özyilmaz, Barbaros; Xiong, Qihua; Quek, Su Ying

2015-06-01

Bulk black phosphorus (BP) consists of puckered layers of phosphorus atoms. Few-layer BP, obtained from bulk BP by exfoliation, is an emerging candidate as a channel material in post-silicon electronics. A deep understanding of its physical properties and its full range of applications are still being uncovered. In this paper, we present a theoretical and experimental investigation of phonon properties in few-layer BP, focusing on the low-frequency regime corresponding to interlayer vibrational modes. We show that the interlayer breathing mode A3g shows a large redshift with increasing thickness; the experimental and theoretical results agreeing well. This thickness dependence is two times larger than that in the chalcogenide materials such as few-layer MoS2 and WSe2, because of the significantly larger interlayer force constant and smaller atomic mass in BP. The derived interlayer out-of-plane force constant is about 50% larger than that in graphene and MoS2. We show that this large interlayer force constant arises from the sizable covalent interaction between phosphorus atoms in adjacent layers, and that interlayer interactions are not merely of the weak van der Waals type. These significant interlayer interactions are consistent with the known surface reactivity of BP, and have been shown to be important for electric-field induced formation of Dirac cones in thin film BP.

Large Frequency Change with Thickness in Interlayer Breathing Mode--Significant Interlayer Interactions in Few Layer Black Phosphorus.

PubMed

Luo, Xin; Lu, Xin; Koon, Gavin Kok Wai; Castro Neto, Antonio H; Özyilmaz, Barbaros; Xiong, Qihua; Quek, Su Ying

2015-06-10

Bulk black phosphorus (BP) consists of puckered layers of phosphorus atoms. Few-layer BP, obtained from bulk BP by exfoliation, is an emerging candidate as a channel material in post-silicon electronics. A deep understanding of its physical properties and its full range of applications are still being uncovered. In this paper, we present a theoretical and experimental investigation of phonon properties in few-layer BP, focusing on the low-frequency regime corresponding to interlayer vibrational modes. We show that the interlayer breathing mode A(3)g shows a large redshift with increasing thickness; the experimental and theoretical results agree well. This thickness dependence is two times larger than that in the chalcogenide materials, such as few-layer MoS2 and WSe2, because of the significantly larger interlayer force constant and smaller atomic mass in BP. The derived interlayer out-of-plane force constant is about 50% larger than that of graphene and MoS2. We show that this large interlayer force constant arises from the sizable covalent interaction between phosphorus atoms in adjacent layers and that interlayer interactions are not merely of the weak van der Waals type. These significant interlayer interactions are consistent with the known surface reactivity of BP and have been shown to be important for electric-field induced formation of Dirac cones in thin film BP.

The low-temperature scintillation properties of bismuth germanate and its application to high-energy gamma radiation imaging devices.

PubMed

Piltingsrud, H V

1979-12-01

Bismuth germanate is a scintillation material with very high z, and high density (7.13 g/cm3). It is a rugged, nonhygroscopic, crystalline material with room-temperature scintillation properties described by previous investigators as having a light yield approximately 8% of that of NaI(Tl), emission peak at approximately 480 nm, decay constant of 0.3 microsec, and energy resolution congruent to 15% (FWHM) for Cs-137 gamma radiations. These properties make it an excellent candidate for applications involving the detection of high-energy gamma photons and positron annihilation radiation, particularly when good spatial resolution is desired. At room temperature, however, the application of this material is somewhat limited by low light output and poor energy resolution. This paper presents new data on the scintillation properties of bismuth germanate as a function of temperature from -- 196 degrees C to j0 degrees C. Low-temperature use of the material is shown to greatly improve its light yield and energy resolution. The implications of this work to the design of imaging devices for high-energy radiation in health physics and nuclear medicine are discussed.

Three-phase Fe3O4/MWNT/PVDF nanocomposites with high dielectric constant for embedded capacitor

NASA Astrophysics Data System (ADS)

Wang, Haiyun; Fu, Qiong; Luo, Jiangqi; Zhao, Dongmei; Luo, Laihui; Li, Weiping

2017-06-01

To get the dielectric material with a high dielectric constant and low dielectric loss, the modified multiwalled carbon nanotube (MWNT-S) and ferroferric oxide (Fe3O4) particles were embedded into polyvinylidene fluoride (PVDF) to fabricate the Fe3O4/MWNT-S/PVDF ternary composites. The maximum dielectric constant of these composites can be up to 3490 at a very low filler fraction, and dielectric loss can be suppressed below 0.5. The small amount of the second filler (Fe3O4) can accelerate the formation of a percolation conductive network and improve the interfacial polarization. Therefore, the excellent dielectric properties can be achieved at low loading of fillers.

Effects of oxygen deficiency on the transport and dielectric properties of NdSrNbO

NASA Astrophysics Data System (ADS)

Hzez, W.; Benali, A.; Rahmouni, H.; Dhahri, E.; Khirouni, K.; Costa, B. F. O.

2018-06-01

In the present study, Nd0.7Sr0.3NbO3-y (y = 0.1, 0.15, 0.2) compounds were prepared via a solid-solid reaction route. The prepared samples were characterized by electrochemical impedance spectroscopy in order to establish the effects of temperature, frequency, and oxygen vacancies on both the transport and dielectric properties of NdSrNbO. We found that both the electrical and dielectric properties were highly sensitive to the concentration of oxygen vacancies. The conduction mechanism data were explained well according to the Mott model and adiabatic small polaronic hopping model. Electrochemical impedance spectroscopy analysis showed that one relaxation process was present in the Nd0.7Sr0.3NbO2.9 system whereas two relaxation processes were observed in the Nd0.7Sr0.3NbO2.85 and Nd0.7Sr0.3NbO2.8 systems, where the latter behavior indicated the presence of many active regions (due to the contributions of different microstructures). The temperature and frequency dependences of the dielectric constant confirmed the contributions of different polarization mechanisms. In particular, the high dielectric constant values at low frequencies and high temperatures were mainly related to the presence of different Schottky barriers, whereas the low dielectric constant values at high frequencies were essentially related to the intrinsic effect. The constant dielectric values obtained for the samples are greater than those in the NdSrFeO system, which makes them interesting materials for use in applications that require high dielectric constants.

Tailored material properties using textile composites

NASA Astrophysics Data System (ADS)

Pastore, C. M.

2017-10-01

Lightweighting is essential for the reduction of energy consumption in transportation. The most common approach is through the application of high specific strength and stiffness materials, such as composites and high performance aluminum alloys. One of the challenges associated with the use of advanced materials is the high cost. This paper explores the opportunities of using hybrid composites (glass and carbon, for example) with selective fiber placement to optimize the weight subject to price constraints for given components. Considering the example of a hat-section for hood reinforcement, different material configurations were modeled and developed. The required thickness of the hat section to meet the same bending stiffness as an all carbon composite beam was calculated. It was shown that selective placement of fiber around the highest moments results in a weight savings of around 14% compared to a uniformly blended hybrid with the same total material configuration. From this it is possible to estimate the materials cost of the configurations as well as the weight of the component. To determine which is best it is necessary to find an exchange constant that converts weight into cost - the penalty of carrying the extra weight. The value of this exchange constant will depend on the particular application.

The unusual electrochemical characteristics of a novel three-dimensional ordered bicontinuous mesoporous carbon

NASA Astrophysics Data System (ADS)

Wang, Tao; Liu, Xiaoying; Zhao, Dongyuan; Jiang, Zhiyu

2004-05-01

The electrochemical properties of the ordered three-dimensional (3D) mesoporous carbon, synthesized by using mesoporous silica (FDU-5) as a hard template from an impregnation procedure, has been firstly explored as an anode material for lithium-ion batteries. The material presents uniform pore size of 7.4 nm, BET surface area of 750 m 2/g. As a novel nano-material C-FDU-5 shows almost constant resistance and Li + diffusion coefficient when the potential is lower than the critical potential. The material also presents a reversible capacity higher than that of carbon nanotubes, and can be charge/discharged at the large current rate.

The phonon-polariton spectrum of one-dimensional Rudin-Shapiro photonic superlattices with uniaxial polar materials

NASA Astrophysics Data System (ADS)

Gómez-Urrea, H. A.; Duque, C. A.; Mora-Ramos, M. E.

2015-11-01

The properties of the optical-phonon-associated polaritonic modes that appear under oblique light incidence in 1D superlattices made of photonic materials are studied. The investigated systems result from the periodic repetition of quasiregular Rudin-Shapiro (RS) multilayer units. It is assume that the structure consists of both passive non-dispersive layers of constant refraction index and active layers of uniaxial polar materials. In particular, we consider III-V wurtzite nitrides. The optical axis of these polaritonic materials is taken along the growth direction. Maxwell equations are solved using the transfer matrix technique for all admissible values of the incidence angle.

Informed Materials Discovery: Designing New Engineering Polymer Systems Using High Throughput Modeling Techniques

DTIC Science & Technology

2016-10-27

and molecu- lar physical structure into the prediction of the macroscopic constitutive properties and behaviour of the polymers. GIM uses a mean field...Cβ and Cg are related to the loss of DOFs over beta and glass transitions, where R is the molar gas constant and C is defined by: (2) C = NR (6.7T θ1...The compression yield behaviour of polymethyl methacrylate over a wide range of temperatures and strain-rates, Journal of Materials Science 8 (7

Adsorption and wetting characterization of hydrophobic SBA-15 silicas.

PubMed

Bernardoni, Frank; Fadeev, Alexander Y

2011-04-15

This work describes adsorption and wetting characterization of hydrophobic ordered mesoporous silicas (OMSs) with the SBA-15 motif. Three synthetic approaches to prepare hydrophobic SBA-15 silicas were explored: grafting with (1) covalently-attached monolayers (CAMs) of C(n)H(2)(n+1)Si(CH(3))(2)N(CH(3))(2), (2) self-assembled monolayers (SAMs) of C(n)H(2)(n+1)Si(OEt)(3), and (3) direct ("one-pot") co-condensation of TEOS with C(n)H(2)(n+1)Si(OEt)(3) in presence of P123 (n=1-18). The materials prepared were characterized by nitrogen adsorption, TEM, and chemical analysis. The surface properties of the materials were assessed by water contact angles (CAs) and by BET C constants. The results showed that, while loadings of the alkyl groups (%C) were comparable, the surface properties and pore ordering of the materials prepared through different methods were quite different. The best quality hydrophobic surfaces were prepared for SBA-15 grafted with CAMs of alkylsilanes. For these materials, the water CAs were above ∼120°/100° (adv/rec) and BET C constants were in the range of ∼15-25, indicating uniform low-energy surfaces of closely packed alkyl groups on external and internal surfaces of the pores respectively. Moreover, surfaces grafted with the long-chained (C(12)-C(18)) silanes showed super-hydrophobic behavior (CAs∼150-180°) and extremely low adhesion for water. The pore uniformity of parental SBA-15 was largely preserved and the pore volume and pore diameter were consistent with the formation of a single layer of alkylsilyl groups inside the pores. Post-synthesis grafting of SBA-15 with SAMs worked not as well as CAMs: the surfaces prepared demonstrated lower water CAs and higher BET C constants, thereby indicating a small amount of accessible polar groups (Si-OH) related to packing constrains for SAMs supported on highly curved surfaces of mesopores. The co-condensation method produced substantially more disordered materials and less hydrophobic surfaces than any of the grafting methods. The surfaces of these materials showed low water CAs and high BET C constants (∼100-200) thereby demonstrating a non-uniform surface coverage and presence of unmodified silica. It is concluded that CAMs chemistry is the most efficient approach in preparation of the functionalized OMS materials with uniform surfaces and pores. Copyright © 2011 Elsevier Inc. All rights reserved.

Material properties and fractography of an indirect dental resin composite

PubMed Central

Quinn, Janet B.; Quinn, George D.

2011-01-01

Objectives Determination of material and fractographic properties of a dental indirect resin composite material. Methods A resin composite (Paradigm, 3M-ESPE, MN) was characterized by strength, static elastic modulus, Knoop hardness, fracture toughness and edge toughness. Fractographic analyses of the broken bar surfaces was accomplished with a combination of optical and SEM techniques, and included determination of the type and size of the failure origins, and fracture mirror and branching constants. Results The flexure test mean strength ± standard deviation was 145 MPA ± 17 MPa, and edge toughness, Te, was 172 N/mm ±12 N/mm. Knoop hardness was load dependent, with a plateau at 0.99 GPa ± .02 GPa. Mirrors in the bar specimens were measured with difficulty, resulting in a mirror constant of approximately 2.6 MPa·m1/2. Fracture in the bar specimens initiated at equiaxed material flaws that had different filler concentrations that sometimes were accompanied by partial microcracks. Using the measured flaw sizes, which ranged from 35 µm to 100 µm in size, and estimates of the stress intensity shape factors, fracture toughness was estimated to be 1.1 MPa·m1/2 ± 0.2 MPa·m1/2. Significance Coupling the flexure tests with fractographic examination enabled identification of the intrinsic strength limiting flaws. The same techniques could be useful in determining if clinical restorations of similar materials fail from the same causes. The existence of a strong load-dependence of the Knoop hardness of the resin composite is not generally mentioned in the literature, and is important for material comparisons and wear evaluation studies. Finally, the edge toughness test was found promising as a quantitative measure of resistance to edge chipping, an important failure mode in this class of materials. PMID:20304478

Dynamic properties of III-V polytypes from density-functional theory

NASA Astrophysics Data System (ADS)

Benyahia, N.; Zaoui, A.; Madouri, D.; Ferhat, M.

2017-03-01

The recently discovered hexagonal wurtzite phase of several III-V nanowires opens up strong opportunity to engineer optoelectronic and transport properties of III-V materials. Herein, we explore the dynamical and dielectric properties of cubic (3C) and wurtzite (2H) III-V compounds (AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, and InSb). For cubic III-V compounds, our calculated phonon frequencies agree well with neutron diffraction and Raman-scattering measurements. In the case of 2H III-V materials, our calculated phonon modes at the zone-center Γ point are in distinguished agreement with available Raman-spectroscopy measurements of wurtzite GaAs, InP, GaP, and InAs nanowires. Particularly, the "fingerprint" of the wurtzite phase, which is our predicted E2(high) phonon mode, at 261 cm-1(GaAs), 308 cm-1(InP), 358 cm-1(GaP), and 214 cm-1(InAs) matches perfectly the respective Raman values of 258 cm-1, 306.4 cm-1, 353 cm-1, and 213.7 cm-1 for GaAs, InP, GaP, and InAs. Moreover, the dynamic charges and high-frequency dielectric constants are predicted for III-V materials in both cubic (3C) and hexagonal (2H) crystal polytypes. It is found that the dielectric properties of InAs and InSb contrast markedly from those of other 2H III-V compounds. Furthermore, InAs and InSb evidence relative strong anisotropy in their dielectric constants and Born effective charges, whereas GaP evinces the higher Born effective charge anisotropy of 2H III-V compounds.

Porosity, water sorption and solubility of denture base acrylic resins polymerized conventionally or in microwave.

PubMed

Figuerôa, Rosana Marques Silva; Conterno, Bruna; Arrais, César Augusto Galvão; Sugio, Carolina Yoshi Campos; Urban, Vanessa Migliorini; Neppelenbroek, Karin Hermana

2018-01-01

The proper selection of polymerization cycle is important to prevent overheating of the monomer that could cause degradation, porosity and, consequently, deleterious effects on the denture base properties. Objective This study evaluated the porosity, water sorption and solubility of acrylic resins (Vipi Cril-VC and Vipi Wave-VW) after conventional or microwave polymerization cycles. Material and Methods Specimens (n = 10) were made and cured: 1-WB = 65°C during 90 min + boiling during 90 min (VC cycle - control group); 2-M25 = 10 min at 270 W + 5 min at 0 W + 10 min at 360 W (VW cycle); 3-M3 = 3 min at 550 W; and 4-M5 = 5 min at 650 W. Afterward, they were polished and dried in a dessicator until a constant mass was reached. Specimens were then immersed in distilled water at 37°C and weighed regularly until a constant mass was achieved. For porosity, an additional weight was made with the specimen immediately immersed in distilled water. For water sorption and solubility, the specimens were dried again until equilibrium was reached. Data were submitted to 2 way-ANOVA and Tukey HSD (α=0.05). Results Porosity mean values below 1.52% with no significant difference among groups for both materials were observed. Resins showed water sorption and solubility values without a significant difference. However, there was a significant difference among groups for these both properties (P<0.013). The highest sorption (2.43%) and solubility (0.13%) values were obtained for WB and M3, respectively. Conclusions The conventional acrylic resin could be polymerized in a microwave since both the materials showed similar performance in the evaluated properties. Shorter microwave cycles could be used for both the materials without any detectable increase in volume porosity.

Solvent dependent triphenylamine based D-(pi-A)n type dye molecules and optical properties.

PubMed

Li, Xiaochuan; Son, Young-A; Kim, Young-Sung; Kim, Sung-Hoon; Kun, Jun; Shin, Jong-Il

2012-02-01

D-(pi-A)n type dyes of triphenylamine derivatives were synthesized and their absorption and luminescence in different solvents were examined to investigate solvent dependent properties observed for their emissions in solvents with different dielectric constants. The emission wavelengths showed a dramatic blue shift with increasing solvent polarity. The results of molecular orbital calculations by computer simulation, based on Material Studio suite of programs, were found to reasonably account for the spectral properties. Relative levels of HOMO and LUMO were measured and calculated and all derivatives exhibited strong solid fluorescence with distinctively different FWHMs.

The Effect of Chemical Functionalization on Mechanical Properties of Nanotube/Polymer Composites

NASA Technical Reports Server (NTRS)

Odegard, G. M.; Frankland, S. J. V.; Gates, T. S.

2003-01-01

The effects of the chemical functionalization of a carbon nanotube embedded in a nanotube/polyethylene composite on the bulk elastic properties are presented. Constitutive equations are established for both functionalized and non-functionalized nanotube composites systems by using an equivalent-continuum modeling technique. The elastic properties of both composites systems are predicted for various nanotube lengths, volume fractions, and orientations. The results indicate that for the specific composite material considered in this study, most of the elastic stiffness constants of the functionalized composite are either less than or equal to those of the non-functionalized composite.

Measurement of material mechanical properties in microforming

NASA Astrophysics Data System (ADS)

Yun, Wang; Xu, Zhenying; Hui, Huang; Zhou, Jianzhong

2006-02-01

As the rapid market need of micro-electro-mechanical systems engineering gives it the wide development and application ranging from mobile phones to medical apparatus, the need of metal micro-parts is increasing gradually. Microforming technology challenges the plastic processing technology. The findings have shown that if the grain size of the specimen remains constant, the flow stress changes with the increasing miniaturization, and also the necking elongation and the uniform elongation etc. It is impossible to get the specimen material properties in conventional tensile test machine, especially in the high precision demand. Therefore, one new measurement method for getting the specimen material-mechanical property with high precision is initiated. With this method, coupled with the high speed of Charge Coupled Device (CCD) camera and high precision of Coordinate Measuring Machine (CMM), the elongation and tensile strain in the gauge length are obtained. The elongation, yield stress and other mechanical properties can be calculated from the relationship between the images and CCD camera movement. This measuring method can be extended into other experiments, such as the alignment of the tool and specimen, micro-drawing process.

The influence of dynamical change of optical properties on the thermomechanical response and damage threshold of noble metals under femtosecond laser irradiation

NASA Astrophysics Data System (ADS)

Tsibidis, George D.

2018-02-01

We present a theoretical investigation of the dynamics of the dielectric constant of noble metals following heating with ultrashort pulsed laser beams and the influence of the temporal variation of the associated optical properties on the thermomechanical response of the material. The effect of the electron relaxation time on the optical properties based on the use of a critical point model is thoroughly explored for various pulse duration values (i.e., from 110 fs to 8 ps). The proposed theoretical framework correlates the dynamical change in optical parameters, relaxation processes and induced strains-stresses. Simulations are presented by choosing gold as a test material, and we demonstrate that the consideration of the aforementioned factors leads to significant thermal effect changes compared to results when static parameters are assumed. The proposed model predicts a substantially smaller damage threshold and a large increase of the stress which firstly underlines the significant role of the temporal variation of the optical properties and secondly enhances its importance with respect to the precise determination of laser specifications in material micromachining techniques.

A theory of electrical conductivity, dielectric constant, and electromagnetic interference shielding for lightweight graphene composite foams

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

Xia, Xiaodong; Department of Mechanical and Aerospace Engineering, Rutgers University, New Brunswick, New Jersey 08903; Wang, Yang

This work was driven by the need to understand the electromagnetic interference (EMI) shielding effectiveness (SE) of light weight, flexible, and high performance graphene composite foams, but as EMI SE of a material depends on its electrical conductivity, dielectric permittivity, and magnetic permeability, the investigation of these three properties also became a priority. In this paper, we first present a continuum theory to determine these three electromagnetic properties, and then use the obtained properties to evaluate the EMI SE of the foam. A two-scale composite model is conceived to evaluate these three properties, with the large one being the skeleton-voidmore » composite and the small one being the graphene-polymer composite that serves as the skeleton of the foam. To evaluate the properties of the skeleton, the effective-medium approach is taken as the starting point. Subsequently, the effect of an imperfect interface and the contributions of electron tunneling to the interfacial conductivity and Maxwell-Wagner-Sillars polarization mechanism to the dielectric constant are also implemented. The derived skeleton properties are then utilized on the large scale to determine the three properties of the composite foam at a given porosity. Then a uniform plane electromagnetic wave is considered to evaluate the EMI SE of the foam. It is demonstrated that the electrical conductivity, dielectric constant, and EMI SE of the foam calculated from the developed theory are in general agreement with the reported experimental data of graphene/PDMS composite foams. The theory is further proven to be valid for the EMI SE of solid graphene/epoxy and solid carbon nanotube/epoxy nanocomposites. It is also shown that, among the three electromagnetic properties, electrical conductivity has the strongest influence on the EMI shielding effectiveness.« less

Evaluation of mechanical properties of hybrid fiber (hemp, jute, kevlar) reinforced composites

NASA Astrophysics Data System (ADS)

Suresha, K. V.; Shivanand, H. K.; Amith, A.; Vidyasagar, H. N.

2018-04-01

In today's world composites play wide role in all the engineering fields. The reinforcement of composites decides the properties of the material. Natural fiber composites compared to synthetic fiber possesses poor mechanical properties. The solution for this problem is to use combination of natural fiber and synthetic fiber. Hybridization helps to improve the overall mechanical properties of the material. In this study, hybrid reinforced composites of Hemp fabric/Kevlar fabric/Epoxy and Jute fabric/ Kevlar fabric/Epoxy composites are fabricated using Simple hand layup technique followed by Vacuum bagging process. Appropriate test methods as per standards and guidelines are followed to analyze mechanical behavior of the composites. The mechanical characteristics like tensile, compression and flexural properties of the hybrid reinforced composites are tested as per the ASTM standards by series of tensile test; compression test and three point bending tests were conducted on the hybrid composites. A quantitative relationship between the Hemp fabric/Kevlar fabric/Epoxy and Jute/ Kevlar fabric/Epoxy has been established with constant thickness.

Fluorinated epoxy resins with high glass transition temperatures

NASA Technical Reports Server (NTRS)

Griffith, James R.

1991-01-01

Easily processed liquid resins of low dielectric constants and high glass transition temperatures are useful for the manufacture of certain composite electronic boards. That combination of properties is difficult to acquire when dielectric constants are below 2.5, glass transition temperatures are above 200 C and processability is of conventional practicality. A recently issued patent (US 4,981,941 of 1 Jan. 1991) teaches practical materials and is the culmination of 23 years of research and effort and 15 patents owned by the Navy in the field of fluorinated resins of several classes. In addition to high fluorine content, practical utility was emphasized.

Negative Thermal Expansion and Ferroelectric Oxides in Electronic Device Composites

NASA Astrophysics Data System (ADS)

Trujillo, Joy Elizabeth

Electronic devices increasingly pervade our daily lives, driving the need to develop components which have material properties that can be designed to target a specific need. The principle motive of this thesis is to investigate the effects of particle size and composition on three oxides which possess electronic and thermal properties essential to designing improved ceramic composites for more efficient, high energy storage devices. A metal matrix composite project used the negative thermal expansion oxide, ZrW2O 8, to offset the high thermal expansion of the metal matrix without sacrificing high thermal conductivity. Composite preparation employed a powder mixing technique to achieve easy composition control and homogenous phase distribution in order to build composites which target a specific coefficient of thermal expansion (CTE). A tailorable CTE material is desirable for overcoming thermomechanical failure in heat sinks or device casings. This thesis also considers the particle size effect on dielectric properties in a common ferroelectric perovskite, Ba1-xSrxTiO 3. By varying the Ba:Sr ratio, the Curie temperature can be adjusted and by reducing the particle size, the dielectric constant can be increased and hysteresis decreased. These conditions could yield anonymously large dielectric constants near room temperature. However, the ferroelectric behavior has been observed to cease below a minimum size of a few tens of nanometers in bulk or thin film materials. Using a new particle slurry approach, electrochemical impedance spectroscopy allows dielectric properties to be determined for nanoparticles, as opposed to conventional methods which measure only bulk or thin film dielectric properties. In this manner, Ba1-xSrxTiO3 was investigated in a new size regime, extending the theory on the ferroelectric behavior to < 10 nm diameter. This knowledge will improve the potential to incorporate high dielectric constant, low loss ferroelectric nanoparticles in many complex composites. Finally, powder composite processing and impedance spectroscopy techniques were combined to investigate the SrTiO3/(Y2O3) x(ZrO2)1-x (STO/YSZ) oxide system. Thin film heterostructures of STO/YSZ are used in electrochemical energy devices due to their enhanced interfacial ionic conductivity. This work investigated whether this ionic conductivity enhancement could be observed in bulk sintered architectures, which may lead to new device designs for energy storage needs.

Control of microstructure in soldered, brazed, welded, plated, cast or vapor deposited manufactured components

DOEpatents

Ripley, Edward B.; Hallman, Russell L.

2015-11-10

Disclosed are methods and systems for controlling of the microstructures of a soldered, brazed, welded, plated, cast, or vapor deposited manufactured component. The systems typically use relatively weak magnetic fields of either constant or varying flux to affect material properties within a manufactured component, typically without modifying the alloy, or changing the chemical composition of materials or altering the time, temperature, or transformation parameters of a manufacturing process. Such systems and processes may be used with components consisting of only materials that are conventionally characterized as be uninfluenced by magnetic forces.

Holographic sol-gel monoliths: optical properties and application for humidity sensing

NASA Astrophysics Data System (ADS)

Ilatovskii, Daniil A.; Milichko, Valentin; Vinogradov, Alexander V.; Vinogradov, Vladimir V.

2018-05-01

Sol-gel monoliths based on SiO2, TiO2 and ZrO2 with holographic colourful diffraction on their surfaces were obtained via a sol-gel synthesis and soft lithography combined method. The production was carried out without any additional equipment at near room temperature and atmospheric pressure. The accurately replicated wavy structure with nanoscale size of material particles yields holographic effect and its visibility strongly depends on refractive index (RI) of materials. Addition of multi-walled carbon nanotubes (MWCNTs) in systems increases their RI and lends absorbing properties due to extremely high light absorption constant. Further prospective and intriguing applications based on the most successful samples, MWCNTs-doped titania, were investigated as reversible optical humidity sensor. Owing to such property as reversible resuspension of TiO2 nanoparticles while interacting with water, it was proved that holographic xerogels can repeatedly act as humidity sensors. Materials which can be applied as humidity sensors in dependence on holographic response were discovered for the first time.

The influence of printing parameters on selected mechanical properties of FDM/FFF 3D-printed parts

NASA Astrophysics Data System (ADS)

Ćwikła, G.; Grabowik, C.; Kalinowski, K.; Paprocka, I.; Ociepka, P.

2017-08-01

Rapid Prototyping technologies, especially 3D printing are becoming increasingly popular due to their usability and the constant decrease in price of printing equipment and materials. The article focuses on the study of selected mechanical strength properties of 3D-printed elements, which are not very important if the element is only a model for further manufacturing techniques, but which are important when 3D-printed elements will be a part of a functioning device, e.g. a part of unique scientific equipment. The research was carried out on a set of standardised samples, printed with low-cost standard materials (ABS), using a cheap 3D printer. The influence of parameters (such as the type of infill pattern, infill density, shell thickness, printing temperature, the type of material) on selected mechanical properties of the samples, were tested. The obtained results allows making conscious decisions on the printing of elements to be durable enough, either on a non-professional printer, or when to ordered by a professional manufacturer.

Novel natural super-lattice materials with low thermal conductivity for thermoelectric applications: A first principles study

NASA Astrophysics Data System (ADS)

Sreeparvathy, P. C.; Kanchana, V.

2017-12-01

A systematic study which reveals the low thermal conductivity and high thermopower on a series of natural superlattice structures in the form BaXFCh (X: Cu, Ag, Ch: S, Se, Te), LaXSO (X: Cu, Ag) and SrCuTeF are presented. Low thermal conductivity is predicted by combining elastic constants and few well established models. The electronic properties reveal the highly two dimensional nature of band structure in the valence band, and this is confirmed through effective mass calculations. The huge difference in effective mass along different crystallographic directions in valence band introduces anisotropy in the transport properties for hole doping, and 'a' axis is found to be more favourable. In addition to these, the parameter A (S2σ/τT/κe /τ), which can decouple the relaxation time is also calculated, and it reveals the possibility of good thermoelectric properties in these compounds. Our results are comparable with prototype thermoelectric materials, and show better values than traditional TE materials.

Robustness in spin polarization and thermoelectricity in newly tailored Mn2-based Heusler alloys

NASA Astrophysics Data System (ADS)

Yousuf, S.; Gupta, D. C.

2018-02-01

Investigation of electronic structure, magnetism, hybridization and thermoelectricity of Mn2-based Heusler alloys within the framework of DFT simulation technique have been carried out. Through the optimized ground state parameters viz., lattice constant, total energy and bulk's modulus, electronic properties, magnetic properties and thermoelectric response of new tailored materials is reported. Mechanically stable with ductile nature and 100% spin polarization could favor their use in future spintronic materials. Thermoelectric properties are investigated through the variation of carrier concentration and temperature. Power factor analysis show a way for the selection of the optimal carrier concentration responsible for increasing their thermoelectric response with temperature. The power factor of 857.51 (966.16) × 109µW K-2 m-1 s-1 at an optimal concentration of 1018 cm-3 and temperature of 800 K for Mn2YSn (Mn2ZnSn) respectively is obtained. The Seebeck coefficient portray them as p-type materials and show a linear increase with temperature and vice versa for the carrier concentrations.

Robustness in spin polarization and thermoelectricity in newly tailored Mn2-based Heusler alloys

NASA Astrophysics Data System (ADS)

Yousuf, S.; Gupta, D. C.

2018-07-01

Investigation of electronic structure, magnetism, hybridization and thermoelectricity of Mn2-based Heusler alloys within the framework of DFT simulation technique have been carried out. Through the optimized ground state parameters viz., lattice constant, total energy and bulk's modulus, electronic properties, magnetic properties and thermoelectric response of new tailored materials is reported. Mechanically stable with ductile nature and 100% spin polarization could favor their use in future spintronic materials. Thermoelectric properties are investigated through the variation of carrier concentration and temperature. Power factor analysis show a way for the selection of the optimal carrier concentration responsible for increasing their thermoelectric response with temperature. The power factor of 857.51 (966.16) × 109µW K-2 m-1 s-1 at an optimal concentration of 1018 cm-3 and temperature of 800 K for Mn2YSn (Mn2ZnSn) respectively is obtained. The Seebeck coefficient portray them as p-type materials and show a linear increase with temperature and vice versa for the carrier concentrations.

First-principles prediction of solar radiation shielding performance for transparent windows of GdB{sub 6}

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

Xiao, Lihua, E-mail: xiaolihua@git.edu.cn; School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083; Guizhou Special Functional Materials 2011 Collaborative Innovation Center, Guizhou Institute of Technology, Guiyang 550003

2016-04-28

The structural, electronic, magnetic, and optical properties of GdB{sub 6} are studied using the first-principles calculations. Calculated values for magnetic and optical properties and lattice constant are found to be consistent with previously reported experimental results. The calculated results show that GdB{sub 6} is a perfect near-infrared absorption/reflectance material that could serve as a solar radiation shielding material for windows with high visible light transmittance, similar to LaB{sub 6}, which is assigned to its plasma oscillation and a collective oscillation (volume plasmon) of carrier electrons. It was found that the magnetic 4f electrons of Gd are not relevant to themore » important optical properties of GdB{sub 6}. These theoretical studies serve as a reference for future studies.« less

Graphene Mechanics: Current Status and Perspectives.

PubMed

Galiotis, Costas; Frank, Otakar; Koukaras, Emmanuel N; Sfyris, Dimitris

2015-01-01

The mechanical properties of 2D materials such as monolayer graphene are of extreme importance for several potential applications. We summarize the experimental and theoretical results to date on mechanical loading of freely suspended or fully supported graphene. We assess the obtained axial properties of the material in tension and compression and comment on the methods used for deriving the various reported values. We also report on past and current efforts to define the elastic constants of graphene in a 3D representation. Current areas of research that are concerned with the effect of production method and/or the presence of defects upon the mechanical integrity of graphene are also covered. Finally, we examine extensively the work related to the effect of graphene deformation upon its electronic properties and the possibility of employing strained graphene in future electronic applications.

Transport, Structural and Mechanical Properties of Quaternary FeVTiAl Alloy

NASA Astrophysics Data System (ADS)

Bhat, Tahir Mohiuddin; Gupta, Dinesh C.

2016-11-01

The electronic, structural, magnetic and transport properties of FeVTiAl quaternary alloy have been investigated within the framework of density functional theory. The material is a completely spin-polarized half-metallic ferromagnet in its ground state with F-43m structure. The structural stability was further confirmed by elastic constants in the cubic phase with high Young's modulus and brittle nature. The present study predicts an energy band gap of 0.72 eV in a localized minority spin channel at equilibrium lattice parameter of 6.00 Å. The transport properties of the material are discussed based on the Seebeck coefficient, and electrical and thermal conductivity coefficients. The alloy presents large values of Seebeck coefficients, ~39 μV K-1 at room temperature (300 K), and has an excellent thermoelectric performance with ZT = ~0.8.

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

Stoynov, Y.

Functionally graded materials (FGM) are extensively used in modern industry. They are composite materials with continuously varying properties in one or more special dimensions, according to the specific purpose. In view of the wide range of applications of FGM, stress analysis is important for their structural integrity and reliable service life. In this study we will consider functionally graded magneto-electro-elastic materials with one or more cracks subjected to SH waves. We assume that the material properties vary in one and the same way, described by an inhomogeneity function. The boundary value problem is reduced to a system of integro-differential equationsmore » based on the existence of fundamental solutions. Different inhomogeneity classes are used to obtain a wave equation with constant coefficients. Radon transform is applied to derive the fundamental solution in a closed form. Program code in FORTRAN 77 is developed and validated using available examples from literature. Simulations show the dependence of stress field concentration near the crack tips on the frequency of the applied time-harmonic load for different types of material inhomogeneity.« less

Stable and metastable nanowires displaying locally controllable properties

DOEpatents

Sutter, Eli Anguelova; Sutter, Peter Werner

2014-11-18

Vapor-liquid-solid growth of nanowires is tailored to achieve complex one-dimensional material geometries using phase diagrams determined for nanoscale materials. Segmented one-dimensional nanowires having constant composition display locally variable electronic band structures that are determined by the diameter of the nanowires. The unique electrical and optical properties of the segmented nanowires are exploited to form electronic and optoelectronic devices. Using gold-germanium as a model system, in situ transmission electron microscopy establishes, for nanometer-sized Au--Ge alloy drops at the tips of Ge nanowires (NWs), the parts of the phase diagram that determine their temperature-dependent equilibrium composition. The nanoscale phase diagram is then used to determine the exchange of material between the NW and the drop. The phase diagram for the nanoscale drop deviates significantly from that of the bulk alloy.

Elastic properties of porous low-k dielectric nano-films

NASA Astrophysics Data System (ADS)

Zhou, W.; Bailey, S.; Sooryakumar, R.; King, S.; Xu, G.; Mays, E.; Ege, C.; Bielefeld, J.

2011-08-01

Low-k dielectrics have predominantly replaced silicon dioxide as the interlayer dielectric for interconnects in state of the art integrated circuits. In order to further reduce interconnect RC delays, additional reductions in k for these low-k materials are being pursued via the introduction of controlled levels of porosity. The main challenge for such dielectrics is the substantial reduction in elastic properties that accompanies the increased pore volume. We report on Brillouin light scattering measurements used to determine the elastic properties of these films at thicknesses well below 200 nm, which are pertinent to their introduction into present ultralarge scale integrated technology. The observation of longitudinal and transverse standing wave acoustic resonances and their transformation into traveling waves with finite in-plane wave vectors provides for a direct non-destructive measure of the principal elastic constants that characterize the elastic properties of these porous nano-scale films. The mode dispersion further confirms that for porosity levels of up to 25%, the reduction in the dielectric constant does not result in severe degradation in the Young's modulus and Poisson's ratio of the films.

A new quaternary semiconductor compound (Ba2Sb4GeS10): Ab initio study

NASA Astrophysics Data System (ADS)

Ozisik, Havva Bogaz; Ozisik, Haci; Deligoz, Engin

2017-03-01

The newly synthesised Ba2Sb4GeS10 compound is notable because of the interesting features of the quaternary Sb-containing materials. The first principle method has been used to determine the physical properties of this compound. In particular, the electronic structure has been analysed using both conventional GGA-PBE and HSE06 functional. The values of the band gap for PBE and HSE06 calculations were 1.324 and 1.84 eV, respectively. The calculated elastic constants were used to predict polycrystalline mechanical properties. The estimated Vickers hardness (2.7 GPa) values show that Ba2Sb4GeS10 is soft matter. Moreover, the vibrational properties of the compound have been studied. The calculation of the elastic constants and phonon dispersion curves indicates that the Ba2Sb4GeS10 compound is stable both mechanically and dynamically. Furthermore, the minimum thermal conductivity and optical properties, such as dielectric functions and energy loss function, have also been discussed in detail in this paper.

Porous Polyimide Membranes Prepared by Wet Phase Inversion for Use in Low Dielectric Applications

PubMed Central

Kim, Soohyun; Jang, Keon-Soo; Choi, Hee-Dok; Choi, Seung-Hoon; Kwon, Seong-Ji; Kim, Il-Doo; Lim, Jung Ah; Hong, Jae-Min

2013-01-01

A wet phase inversion process of polyamic acid (PAA) allowed fabrication of a porous membrane of polyimide (PI) with the combination of a low dielectric constant (1.7) and reasonable mechanical properties (Tensile strain: 8.04%, toughness: 3.4 MJ/m3, tensile stress: 39.17 MPa, and young modulus: 1.13 GPa), with further thermal imidization process of PAA. PAA was simply synthesized from purified pyromellitic dianhydride (PMDA) and 4,4-oxydianiline (ODA) in two different reaction solvents such as γ-butyrolactone (GBL) and N-methyl-2-pyrrolidinone (NMP), which produce Mw/PDI of 630,000/1.45 and 280,000/2.0, respectively. The porous PAA membrane was fabricated by the wet phase inversion process based on a solvent/non-solvent system via tailored composition between GBL and NMP. The porosity of PI, indicative of a low electric constant, decreased with increasing concentration of GBL, which was caused by sponge-like formation. However, due to interplay between the low electric constant (structural formation) and the mechanical properties, GBL was employed for further exploration, using toluene and acetone vs. DI-water as a coagulation media. Non-solvents influenced determination of the PAA membrane size and porosity. With this approach, insight into the interplay between dielectric properties and mechanical properties will inform a wide range of potential low-k material applications. PMID:23615465

On the dielectric and optical properties of surface-anchored metal-organic frameworks: A study on epitaxially grown thin films

NASA Astrophysics Data System (ADS)

Redel, Engelbert; Wang, Zhengbang; Walheim, Stefan; Liu, Jinxuan; Gliemann, Hartmut; Wöll, Christof

2013-08-01

We determine the optical constants of two highly porous, crystalline metal-organic frameworks (MOFs). Since it is problematic to determine the optical constants for the standard powder modification of these porous solids, we instead use surface-anchored metal-organic frameworks (SURMOFs). These MOF thin films are grown using liquid phase epitaxy (LPE) on modified silicon substrates. The produced SURMOF thin films exhibit good optical properties; these porous coatings are smooth as well as crack-free, they do not scatter visible light, and they have a homogenous interference color over the entire sample. Therefore, spectroscopic ellipsometry (SE) can be used in a straightforward fashion to determine the corresponding SURMOF optical properties. After careful removal of the solvent molecules used in the fabrication process as well as the residual water adsorbed in the voids of this highly porous solid, we determine an optical constant of n = 1.39 at a wavelength of 750 nm for HKUST-1 (stands for Hong Kong University of Science and Technology-1; and was first discovered there) or [Cu3(BTC)2]. After exposing these SURMOF thin films to moisture/EtOH atmosphere, the refractive index (n) increases to n = 1.55-1.6. This dependence of the optical properties on water/EtOH adsorption demonstrates the potential of such SURMOF materials for optical sensing.

Elevated-Temperature Deformation Properties of a HfC Modified Ti-48Al-2Mn-2Nb Matrix Particulate Composite

NASA Technical Reports Server (NTRS)

Whittenberger, J. D.; Farmer, S. C.; Bors, D. A.; Ray, R.; Lee, D. S.

1994-01-01

Rapid solidification techniques in combination with HIPing have been used to produce Ti-48Al-2Mn-2Nb and a Ti-48Al-2Mn-2Nb+15 wt% HfC composite. While the composite does contain several second phases within the gamma + alpha(sub 2) matrix, none was identified to be HfC. The elevated-temperature properties were determined by constant velocity compression and constant load tensile testing in air between 1000 and 1173 K. Such testing indicated that the elevated temperature strengths of the HfC-modified aluminide was superior to those of the unreinforced matrix with the best 1100 K temperature slow strain rate properties for both materials being achieved after high-temperature annealing prior to testing. Examination of the microstructures after deformation in combination with the measured stress exponents and activation energies suggest that creep resistance of the HfC-modified form is due to solid-solution strengthening from carbon and hafnium rather than the presence of second phases.

Sol-gel derived CaCu{sub 3}Ti{sub 4}O{sub 12} ceramics: Synthesis, characterization and electrical properties

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

Liu Laijun; Fan Huiqing; Fang Pinyang

2008-07-01

The giant dielectric constant material CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO) has been synthesized by sol-gel method, for the first time, using nitrate and alkoxide precursor. The electrical properties of CCTO ceramics, showing an enormously large dielectric constant {epsilon} {approx} 60,000 (100 Hz at RT), were investigated in the temperature range from 298 to 358 K at 0, 5, 10, 20, and 40 V dc. The phases, microstructures, and impedance properties of final samples were characterized by X-ray diffraction, scanning electron microscopy, and precision impedance analyzer. The dielectric permittivity of CCTO synthesized by sol-gel method is at least three times ofmore » magnitude larger than that synthesized by other low-temperature method and solid-state reaction method. Furthermore, the results support the internal barrier layer capacitor (IBLC) model of Schottky barriers at grain boundaries between semiconducting grains.« less

Investigation of thermodynamic and mechanical properties of AlyIn1-yP alloys by statistical moment method

NASA Astrophysics Data System (ADS)

Ha, Vu Thi Thanh; Hung, Vu Van; Hanh, Pham Thi Minh; Tuyen, Nguyen Viet; Hai, Tran Thi; Hieu, Ho Khac

2018-03-01

The thermodynamic and mechanical properties of III-V zinc-blende AlP, InP semiconductors and their alloys have been studied in detail from statistical moment method taking into account the anharmonicity effects of the lattice vibrations. The nearest neighbor distance, thermal expansion coefficient, bulk moduli, specific heats at the constant volume and constant pressure of the zincblende AlP, InP and AlyIn1-yP alloys are calculated as functions of the temperature. The statistical moment method calculations are performed by using the many-body Stillinger-Weber potential. The concentration dependences of the thermodynamic quantities of zinc-blende AlyIn1-yP crystals have also been discussed and compared with those of the experimental results. Our results are reasonable agreement with earlier density functional theory calculations and can provide useful qualitative information for future experiments. The moment method then can be developed extensively for studying the atomistic structure and thermodynamic properties of nanoscale materials as well.

Recent Progress on Ferroelectric Polymer-Based Nanocomposites for High Energy Density Capacitors: Synthesis, Dielectric Properties, and Future Aspects.

PubMed

Prateek; Thakur, Vijay Kumar; Gupta, Raju Kumar

2016-04-13

Dielectric polymer nanocomposites are rapidly emerging as novel materials for a number of advanced engineering applications. In this Review, we present a comprehensive review of the use of ferroelectric polymers, especially PVDF and PVDF-based copolymers/blends as potential components in dielectric nanocomposite materials for high energy density capacitor applications. Various parameters like dielectric constant, dielectric loss, breakdown strength, energy density, and flexibility of the polymer nanocomposites have been thoroughly investigated. Fillers with different shapes have been found to cause significant variation in the physical and electrical properties. Generally, one-dimensional and two-dimensional nanofillers with large aspect ratios provide enhanced flexibility versus zero-dimensional fillers. Surface modification of nanomaterials as well as polymers adds flavor to the dielectric properties of the resulting nanocomposites. Nowadays, three-phase nanocomposites with either combination of fillers or polymer matrix help in further improving the dielectric properties as compared to two-phase nanocomposites. Recent research has been focused on altering the dielectric properties of different materials while also maintaining their superior flexibility. Flexible polymer nanocomposites are the best candidates for application in various fields. However, certain challenges still present, which can be solved only by extensive research in this field.

Material Properties from Air Puff Corneal Deformation by Numerical Simulations on Model Corneas

PubMed Central

Dorronsoro, Carlos; de la Hoz, Andrés; Marcos, Susana

2016-01-01

Objective To validate a new method for reconstructing corneal biomechanical properties from air puff corneal deformation images using hydrogel polymer model corneas and porcine corneas. Methods Air puff deformation imaging was performed on model eyes with artificial corneas made out of three different hydrogel materials with three different thicknesses and on porcine eyes, at constant intraocular pressure of 15 mmHg. The cornea air puff deformation was modeled using finite elements, and hyperelastic material parameters were determined through inverse modeling, minimizing the difference between the simulated and the measured central deformation amplitude and central-peripheral deformation ratio parameters. Uniaxial tensile tests were performed on the model cornea materials as well as on corneal strips, and the results were compared to stress-strain simulations assuming the reconstructed material parameters. Results The measured and simulated spatial and temporal profiles of the air puff deformation tests were in good agreement (< 7% average discrepancy). The simulated stress-strain curves of the studied hydrogel corneal materials fitted well the experimental stress-strain curves from uniaxial extensiometry, particularly in the 0–0.4 range. Equivalent Young´s moduli of the reconstructed material properties from air-puff were 0.31, 0.58 and 0.48 MPa for the three polymer materials respectively which differed < 1% from those obtained from extensiometry. The simulations of the same material but different thickness resulted in similar reconstructed material properties. The air-puff reconstructed average equivalent Young´s modulus of the porcine corneas was 1.3 MPa, within 18% of that obtained from extensiometry. Conclusions Air puff corneal deformation imaging with inverse finite element modeling can retrieve material properties of model hydrogel polymer corneas and real corneas, which are in good correspondence with those obtained from uniaxial extensiometry, suggesting that this is a promising technique to retrieve quantitative corneal biomechanical properties. PMID:27792759

Nonreciprocal optical properties based on magneto-optical materials: n-InAs, GaAs and HgCdTe

NASA Astrophysics Data System (ADS)

Wang, Han; Wu, Hao; Zhou, Jian-qiu

2018-02-01

Compared with reciprocal optical materials, nonreciprocal materials can break the time reversal and detailed balance due to special nonreciprocal effect, while how its characteristics performing on infrared wavelength have not been paid enough attention. In this paper, the optical properties of three magneto-optical materials was investigated in infrared band, that are n-InAs, GaAs, HgCdTe, based on Finite Difference Time Domain (FDTD) method. The equations of dielectric constant tensor are present and the effect of magnetic field intensity and frequency has been studied in detail. Additionally, the effect of incidence angle at positive and negative directions to the nonreciprocal absorptivity is also investigated. It is found that the nonreciprocal effect is obvious in infrared wavelength, and the nonreciprocal effect could adjust the absorption characteristic, thus be able to tune the absorption for the specific frequency of incident light. In addition to modeling the directional radiative properties at various angles of incidence, the absorption peaks of three materials under different incident angles are also calculated to understand the light absorption and to facilitate the optimal design of high-performance photovoltaic and optical instrument.

Nuclear-relaxed elastic and piezoelectric constants of materials: Computational aspects of two quantum-mechanical approaches.

PubMed

Erba, Alessandro; Caglioti, Dominique; Zicovich-Wilson, Claudio Marcelo; Dovesi, Roberto

2017-02-15

Two alternative approaches for the quantum-mechanical calculation of the nuclear-relaxation term of elastic and piezoelectric tensors of crystalline materials are illustrated and their computational aspects discussed: (i) a numerical approach based on the geometry optimization of atomic positions at strained lattice configurations and (ii) a quasi-analytical approach based on the evaluation of the force- and displacement-response internal-strain tensors as combined with the interatomic force-constant matrix. The two schemes are compared both as regards their computational accuracy and performance. The latter approach, not being affected by the many numerical parameters and procedures of a typical quasi-Newton geometry optimizer, constitutes a more reliable and robust mean to the evaluation of such properties, at a reduced computational cost for most crystalline systems. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Effect of gas adsorption on acoustic wave propagation in MFI zeolite membrane materials: experiment and molecular simulation.

PubMed

Manga, Etoungh D; Blasco, Hugues; Da-Costa, Philippe; Drobek, Martin; Ayral, André; Le Clezio, Emmanuel; Despaux, Gilles; Coasne, Benoit; Julbe, Anne

2014-09-02

The present study reports on the development of a characterization method of porous membrane materials which consists of considering their acoustic properties upon gas adsorption. Using acoustic microscopy experiments and atomistic molecular simulations for helium adsorbed in a silicalite-1 zeolite membrane layer, we showed that acoustic wave propagation could be used, in principle, for controlling the membranes operando. Molecular simulations, which were found to fit experimental data, showed that the compressional modulus of the composite system consisting of silicalite-1 with adsorbed He increases linearly with the He adsorbed amount while its shear modulus remains constant in a large range of applied pressures. These results suggest that the longitudinal and Rayleigh wave velocities (VL and VR) depend on the He adsorbed amount whereas the transverse wave velocity VT remains constant.

High-Throughput Screening of Sulfide Thermoelectric Materials Using Electron Transport Calculations with OpenMX and BoltzTraP

NASA Astrophysics Data System (ADS)

Miyata, Masanobu; Ozaki, Taisuke; Takeuchi, Tsunehiro; Nishino, Shunsuke; Inukai, Manabu; Koyano, Mikio

2018-06-01

The electron transport properties of 809 sulfides have been investigated using density functional theory (DFT) calculations in the relaxation time approximation, and a material design rule established for high-performance sulfide thermoelectric (TE) materials. Benchmark electron transport calculations were performed for Cu12Sb4S13 and Cu26V2Ge6S32, revealing that the ratio of the scattering probability of electrons and phonons ( κ lat τ el -1 ) was constant at about 2 × 1014 W K-1 m-1 s-1. The calculated thermopower S dependence of the theoretical dimensionless figure of merit ZT DFT of the 809 sulfides showed a maximum at 140 μV K-1 to 170 μV K-1. Under the assumption of constant κ lat τ el -1 of 2 × 1014 W K-1 m-1 s-1 and constant group velocity v of electrons, a slope of the density of states of 8.6 states eV-2 to 10 states eV-2 is suitable for high- ZT sulfide TE materials. The Lorenz number L dependence of ZT DFT for the 809 sulfides showed a maximum at L of approximately 2.45 × 10-8 V2 K-2. This result demonstrates that the potential of high- ZT sulfide materials is highest when the electron thermal conductivity κ el of the symmetric band is equal to that of the asymmetric band.

Biopolymer-reinforced synthetic granular nanocomposites for affordable point-of-use water purification.

PubMed

Sankar, Mohan Udhaya; Aigal, Sahaja; Maliyekkal, Shihabudheen M; Chaudhary, Amrita; Anshup; Kumar, Avula Anil; Chaudhari, Kamalesh; Pradeep, Thalappil

2013-05-21

Creation of affordable materials for constant release of silver ions in water is one of the most promising ways to provide microbially safe drinking water for all. Combining the capacity of diverse nanocomposites to scavenge toxic species such as arsenic, lead, and other contaminants along with the above capability can result in affordable, all-inclusive drinking water purifiers that can function without electricity. The critical problem in achieving this is the synthesis of stable materials that can release silver ions continuously in the presence of complex species usually present in drinking water that deposit and cause scaling on nanomaterial surfaces. Here we show that such constant release materials can be synthesized in a simple and effective fashion in water itself without the use of electrical power. The nanocomposite exhibits river sand-like properties, such as higher shear strength in loose and wet forms. These materials have been used to develop an affordable water purifier to deliver clean drinking water at US $2.5/y per family. The ability to prepare nanostructured compositions at near ambient temperature has wide relevance for adsorption-based water purification.

Biopolymer-reinforced synthetic granular nanocomposites for affordable point-of-use water purification

PubMed Central

Sankar, Mohan Udhaya; Aigal, Sahaja; Maliyekkal, Shihabudheen M.; Chaudhary, Amrita; Anshup; Kumar, Avula Anil; Chaudhari, Kamalesh; Pradeep, Thalappil

2013-01-01

Creation of affordable materials for constant release of silver ions in water is one of the most promising ways to provide microbially safe drinking water for all. Combining the capacity of diverse nanocomposites to scavenge toxic species such as arsenic, lead, and other contaminants along with the above capability can result in affordable, all-inclusive drinking water purifiers that can function without electricity. The critical problem in achieving this is the synthesis of stable materials that can release silver ions continuously in the presence of complex species usually present in drinking water that deposit and cause scaling on nanomaterial surfaces. Here we show that such constant release materials can be synthesized in a simple and effective fashion in water itself without the use of electrical power. The nanocomposite exhibits river sand-like properties, such as higher shear strength in loose and wet forms. These materials have been used to develop an affordable water purifier to deliver clean drinking water at US $2.5/y per family. The ability to prepare nanostructured compositions at near ambient temperature has wide relevance for adsorption-based water purification. PMID:23650396

The Influence of Pore Size on the Indentation Behavior of Metallic Nanoporous Materials: A Molecular Dynamics Study

PubMed Central

Esqué-de los Ojos, Daniel; Pellicer, Eva; Sort, Jordi

2016-01-01

In general, the influence of pore size is not considered when determining the Young’s modulus of nanoporous materials. Here, we demonstrate that the pore size needs to be taken into account to properly assess the mechanical properties of these materials. Molecular dynamics simulations of spherical indentation experiments on single crystalline nanoporous Cu have been undertaken in systems with: (i) a constant degree of porosity and variable pore diameter; and (ii) a constant pore diameter and variable porosity degree. The classical Gibson and Ashby expression relating Young’s modulus with the relative density of the nanoporous metal is modified to include the influence of the pore size. The simulations reveal that, for a fixed porosity degree, the mechanical behavior of materials with smaller pores differs more significantly from the behavior of the bulk, fully dense counterpart. This effect is ascribed to the increase of the overall surface area as the pore size is reduced, together with the reduced coordination number of the atoms located at the pores edges. PMID:28773476

Effect of trivalent iron substitution on structure and properties of PLZT ceramics

NASA Astrophysics Data System (ADS)

Dutta, S.; Choudhary, R. N. P.

2008-02-01

Polycrystalline samples of Fe-modified PLZT (lead lanthanum zirconate titanate) are prepared by a mixed-oxide reaction technique. The formation of the compound has been confirmed by X-ray powder diffraction studies. The unit cell structure of the material has been found to be rhombohedral. Fourier-transform infrared reflection (FTIR) spectra have been recorded to correspond the structural changes associated with the phase formation. The effects of Fe concentration on the microstructure and dielectric constant of PLZT materials have been investigated. The ferroelectric phase transition of PLFZT materials is studied using dielectric measurements, which shows a shift in the transition temperature towards the higher-temperature side with increased Fe ion concentration. The piezoelectric constants of this system are investigated by the same way of changed contents of Fe ion in the main PLZT compound. The optimum values of Qm, kp, and d33 are 73, 0.32 and 406. The electrical conductivity increases with the increase in Fe ion concentration.

Sol-gel route approach and improvisation in physico-chemical, structural, magnetic and electrical properties of BaCox/2Znx/2ZrxFe(12-2x)O19 ferrites

NASA Astrophysics Data System (ADS)

Kaur Jassal, Amanpreet; Mudsainiyan, R. K.; Chawla, S. K.; Anu; Bindra Narang, Sukhleen; Pubby, Kunal

2018-02-01

The structural and magnetic properties of Zn, Co and Zr cations doped barium hexaferrite [Ba(Znx/2Cox/2)xZrxFe(12-2x)O19] nanoparticles synthesized by sol-gel method have been investigated. X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM) and vibrating sample magnetometer (VSM) were employed to investigate the physico-chemical properties of the obtained ferrite samples. XRD studies reveal that the magnetoplumbite structure for all sample (up to x = 0.8) have been formed and the crystallite size of nanoparticles lies in the range of 34-46 nm. At higher dopant concentration, other impurities (α-Fe2O3 and BaFe2O4 etc.) have been observed. Magnetic studies indicate that site occupancy and nature of dopant ions greatly affect the behavior of magnetic properties. The results of VSM and LCR analysis show that magnetic and electrical parameters vary with an increase in dopant concentration. The results of BET surface area of samples indicate that these types of materials could be used for catalytic properties. Dielectric constant, dielectric loss tangent and A.C. conductivity weremeasured using impedance analyzer over wide frequency range 20 Hz-120 MHz. All the three parameters increase significantly with increase in doping. Increase in dielectric constant proposes these materials for fabrication of microwave devices, while increase in dielectric loss tangent proposes these for applications such as attenuator, absorber etc.

Iron metal optical constants: Assessing the effects of metal composition and oxidation on laboratory reflectance spectra of planetary materials

NASA Astrophysics Data System (ADS)

Blewett, D. T.; Cahill, J. T.; Lawrence, S. J.; Denevi, B. W.; Nguyen, N. V.

2012-12-01

Many planetary surfaces contain Fe or FeNi metal. These metals are present as macroscopic grains (larger than the wavelength of light) in a variety of meteorites and are inferred to exist on/in their asteroid parent bodies. In addition, much smaller (nano- to micrometer) grains of metallic Fe are produced to varying degrees in the surfaces of airless bodies by exposure to the space environment. Space weathering, which includes solar wind sputtering and micrometeoroid impact melting and vaporization, results in the reduction of ferrous Fe harvested from silicates and oxides to a single-domain metallic state, present as nanophase blebs and coatings on and within regolith particles. Nanophase Fe (npFe0) is optically active and has a strong effect on reflectance spectra. For example, a mature lunar soil that has accumulated npFe0 is darker and has a redder spectral slope compared with an unweathered powder of the same lithology; mineralogical absorption bands are also attenuated in space-weathered material. Here we report progress on a comprehensive program undertaken to measure the optical constants of Fe and Ni. The optical constants (real and imaginary parts of the index of refraction) are fundamental physical parameters that govern how light reflects from and transmits through a material. We use ellipsometry to measure the optical constants of high-purity metal films from 160 to 4000 nm, including bare films exposed to the atmosphere and films protected from the atmosphere via a novel technique involving a metal coating on a fused silica prism. Air-exposed Fe films have optical constants that are markedly different from those of the protected film, despite the fact that the air-exposed films appear bright and mirror-like to the eye. X-ray photoelectron spectroscopy confirms the presence of Fe2O3 on the surface of the air-exposed Fe film. Hence, we conclude that oxidation layers form rapidly (minutes to hours) on air-exposed metal and measurably alter the optical properties. Our findings suggest that meteorites and lunar samples measured in the lab may have experienced changes to their spectral properties because of alteration of metallic Fe by the terrestrial atmosphere, even if "rust" is not visibly present. We have computed model reflectance spectra for meteorite and lunar assemblages using both sets of optical constants. The effects of oxidized vs. pristine Fe optical constants on the reflectance of assemblages containing macroscopic metal are modest. However, because of the strong optical activity of npFe0, differences in the optical constants have a greater influence on space-weathered materials. We are assessing the consequences of oxidation on comparisons between laboratory and remote observations, and for interpretation of spectra [e.g., the degree of space weathering in terms of the optical maturity parameter (OMAT)] and subsequent mineralogical interpretation]. Optical constants of Ni differ appreciably from those of iron. Therefore, we are also studying the changes in model spectra that result when Ni is substituted for Fe as the macroscopic metal in meteorite assemblages.

Hyperelastic modelling of the crystalline lens: Accommodation and presbyopia

PubMed Central

Lanchares, Elena; Navarro, Rafael; Calvo, Begoña

2012-01-01

Purpose The modification of the mechanical properties of the human crystalline lens with age can be a major cause of presbyopia. Since these properties cannot be measured in vivo, numerical simulation can be used to estimate them. We propose an inverse method to determine age-dependent change in the material properties of the tissues composing the human crystalline lens. Methods A finite element model of a 30-year-old lens in the accommodated state was developed. The force necessary to achieve full accommodation in a 30-year-old lens of known external geometry was computed using this model. Two additional numerical models of the lens corresponding to the ages of 40 and 50 years were then built. Assuming that the accommodative force applied to the lens remains constant with age, the material properties of nucleus and cortex were estimated by inverse analysis. Results The zonular force necessary to reshape the model of a 30-year-old lens from the accommodated to the unaccommodated geometry was 0.078 newton (N). Both nucleus and cortex became stiffer with age. The stiffness of the nucleus increased with age at a higher rate than the cortex. Conclusions In agreement with the classical theory of Helmholtz, on which we based our model, our results indicate that a major cause of presbyopia is that both nucleus and cortex become stiffer with age; therefore, a constant value of the zonular forces with aging does not achieve full accommodation, that is, the accommodation capability decreases.

Microwave performance of photoresist-alumina microcomposites for batch fabrication of thick polymer-based dielectric structures

NASA Astrophysics Data System (ADS)

Rashidian, Atabak; Klymyshyn, David M.; Tayfeh Aligodarz, Mohammadreza; Boerner, Martin; Mohr, Jürgen

2012-10-01

The goal of this paper is to investigate the electrical properties of photoresist-alumina microcomposites with different portions of ceramic content. Substrates of photoresist-alumina microcomposites are fabricated and a comprehensive analysis is performed to characterize their dielectric constant and dielectric loss tangent at microwave frequencies up to 40 GHz. To evaluate the performance of these materials for microwave applications, the properties of various lithographically fabricated antenna elements are examined and analysed based on the measured electrical properties. The experimental results show that the electrical properties of the photoresist composite are nonlinearly affected by ceramic content and also a minimum percentage of ceramic portion is required to improve the electrical properties of the photoresist composite. For instance, comparison of 0 wt% with 23 wt% SU8-alumina shows that no reduction is achieved for the dielectric loss tangent. Comparison of 38 wt% with 48 wt% SU8-alumina microcomposite shows that the dielectric loss tangent is improved from 0.03 to 0.01 and the dielectric constant is increased from 3.8 to 5.0 at 25 GHz. These improvements can result in superior performance for the photoresist-based microwave components.

The elastic properties of cancerous skin: Poisson's ratio and Young's modulus.

PubMed

Tilleman, Tamara Raveh; Tilleman, Michael M; Neumann, Martino H A

2004-12-01

The physical properties of cancerous skin tissue have rarely been measured in either fresh or frozen skin specimens. Of interest are the elastic properties associated with the skin's ability to deform, i.e., to stretch and compress. Two constants--Young's modulus and Poisson's ratio--represent the basic elastic behavior pattern of any elastic material, including skin. The former relates the applied stress on a specimen to its deformation via Hooke's law, while the latter is the ratio between the axial and lateral strains. To investigate the elastic properties of cancerous skin tissue. For this purpose 23 consecutive cancerous tissue specimens prepared during Mohs micrographic surgery were analyzed. From these specimens we calculated the change in radial length (defined as the radial strain) and the change in tissue thickness (defined as axial strain). Based on the above two strains we determined a Poisson ratio of 0.43 +/- 0.12 and an average Young modulus of 52 KPa. Defining the elastic properties of cancerous skin may become the first step in turning elasticity into a clinical tool. Correlating these constants with the histopathologic features of a cancerous tissue can contribute an additional non-invasive, in vivo and in vitro diagnostic tool.

Metamaterial Behavior of Polymer Nanocomposites Based on Polypropylene/Multi-Walled Carbon Nanotubes Fabricated by Means of Ultrasound-Assisted Extrusion

PubMed Central

Pérez-Medina, Juan C.; Waldo-Mendoza, Miguel A.; Cruz-Delgado, Víctor J.; Quiñones-Jurado, Zoe V.; González-Morones, Pablo; Ziolo, Ronald F.; Martínez-Colunga, Juan G.; Soriano-Corral, Florentino; Avila-Orta, Carlos A.

2016-01-01

Metamaterial behavior of polymer nanocomposites (NCs) based on isotactic polypropylene (iPP) and multi-walled carbon nanotubes (MWCNTs) was investigated based on the observation of a negative dielectric constant (ε′). It is demonstrated that as the dielectric constant switches from negative to positive, the plasma frequency (ωp) depends strongly on the ultrasound-assisted fabrication method, as well as on the melt flow index of the iPP. NCs were fabricated using ultrasound-assisted extrusion methods with 10 wt % loadings of MWCNTs in iPPs with different melt flow indices (MFI). AC electrical conductivity (σ(AC)) as a function of frequency was determined to complement the electrical classification of the NCs, which were previously designated as insulating (I), static-dissipative (SD), and conductive (C) materials. It was found that the SD and C materials can also be classified as metamaterials (M). This type of behavior emerges from the negative dielectric constant observed at low frequencies although, at certain frequencies, the dielectric constant becomes positive. Our method of fabrication allows for the preparation of metamaterials with tunable ωp. iPP pure samples show only positive dielectric constants. Electrical conductivity increases in all cases with the addition of MWCNTs with the largest increases observed for samples with the highest MFI. A relationship between MFI and the fabrication method, with respect to electrical properties, is reported. PMID:28774042

A discrete spectral analysis for determining quasi-linear viscoelastic properties of biological materials

PubMed Central

Babaei, Behzad; Abramowitch, Steven D.; Elson, Elliot L.; Thomopoulos, Stavros; Genin, Guy M.

2015-01-01

The viscoelastic behaviour of a biological material is central to its functioning and is an indicator of its health. The Fung quasi-linear viscoelastic (QLV) model, a standard tool for characterizing biological materials, provides excellent fits to most stress–relaxation data by imposing a simple form upon a material's temporal relaxation spectrum. However, model identification is challenging because the Fung QLV model's ‘box’-shaped relaxation spectrum, predominant in biomechanics applications, can provide an excellent fit even when it is not a reasonable representation of a material's relaxation spectrum. Here, we present a robust and simple discrete approach for identifying a material's temporal relaxation spectrum from stress–relaxation data in an unbiased way. Our ‘discrete QLV’ (DQLV) approach identifies ranges of time constants over which the Fung QLV model's typical box spectrum provides an accurate representation of a particular material's temporal relaxation spectrum, and is effective at providing a fit to this model. The DQLV spectrum also reveals when other forms or discrete time constants are more suitable than a box spectrum. After validating the approach against idealized and noisy data, we applied the methods to analyse medial collateral ligament stress–relaxation data and identify the strengths and weaknesses of an optimal Fung QLV fit. PMID:26609064

Can extended photoactivation time of resin-based fissure sealer materials improve ultimate tensile strength and decrease water sorption/solubility?

PubMed

Borges, Boniek Castillo Dutra; Souza-Júnior, Eduardo José; Catelan, Anderson; Paulillo, Luís Alexandre Maffei Sartini; Aguiar, Flávio Henrique Baggio

2012-10-01

This study aimed to evaluate the impact of extended photoactivation time on ultimate tensile strength (UTS), water sorption (WS) and solubility (WSB) of resin-based materials used as fissure-sealants. A fissure-sealant (Fluroshield) and a flowable composite (Permaflo) polymerized for 20 and 60 seconds were tested. For UTS, 20 hourglass shaped samples were prepared representing two materials and two photoactivation time (n=5). After 24-h dry-storage, samples were tested in tension using a universal testing machine at a cross-head speed of 0.5 mm/min (UTS was calculated in MPa). For WS and WSB, 20 disks with 5 mm diameter and 1 mm height (n=5) were prepared and volumes were calculated (mm(3)). They were transferred to desiccators until a constant mass was obtained (m1) and were subsequently immersed in distilled water until no alteration in mass was detected (m2). Samples were reconditioned to constant mass in desiccators (m3). WS and WSB were determined using the equations m2-m3/V and m1-m3/V, respectively. Data were subjected to two-way ANOVA and Tukey's HSD test (P<.05). There was no significant difference between materials or photoactivation times for the UTS and WS. Permaflo presented lower but negative WSB compared to Fluroshield. Extended photoactivation time did not improve the physical properties tested. Fluroshield presented physical properties that were similar to or better than Permaflo.

Hydrothermal synthesis of doped lanthanum zirconate nanomaterials and the effect of V–Ge substitution on their structural, electrical and dielectric properties

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

Farid, Muhammad Asim; Asghar, Muhammad Adnan; Ashiq, Muhammad Naeem, E-mail: naeemashiqqau@yahoo.com

2014-11-15

Graphical abstract: Variation of dielectric constant with frequency for all the synthesized materials. - Highlights: • Hydrothermal method has been successfully employed to synthesize the zirconates. • XRD confirmed the formation of required phase. • Increased electrical resistivity makes these materials useful for microwave devices. • Dielectric parameters of zirconates decrease with increasing frequency. • Dielectric constant decreases with increasing substituents concentration. - Abstract: A hydrothermal method was successfully employed for the synthesis of a series of vanadium and germanium co-doped pyrochlore lanthanum zirconates with composition La{sub 2−x}V{sub x}Zr{sub 2−y}Ge{sub y}O{sub 7} (where x, y = 0.0, 0.25, 0.50, 0.75more » and 1.0). The XRD and FTIR analyses confirmed the formation of single phase except vanadium and germanium substituted samples and the crystallite sizes are in the range of 7–31 nm for V{sup 3+}–Ge{sup 4+} substituted samples. The theoretical compositions are confirmed by the ED-XRF studies. The room temperature electrical resistivity increase with the substituents concentration which suggests that the synthesized materials can be used for microwave devices as such devices required highly resistive materials. Dielectric properties were measured in the frequency range of 6 kHz to 1 MHz. The dielectric parameters decrease with increase in frequency. The DC resistivity data is in good agreement with the dielectric data.« less

Effect of the addition of B{sub 2}O{sub 3} and BaO-B{sub 2}O{sub 3}-SiO{sub 2} glasses on the microstructure and dielectric properties of giant dielectric constant material CaCu{sub 3}Ti{sub 4}O{sub 12}

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

Shri Prakash, B.; Varma, K.B.R.

2007-06-15

The effect of the addition of glassy phases on the microstructure and dielectric properties of CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO) ceramics was investigated. Both single-component (B{sub 2}O{sub 3}) and multi-component (30 wt% BaO-60 wt% B{sub 2}O{sub 3}-10 wt% SiO{sub 2} (BBS)) glass systems were chosen to study their effect on the density, microstructure and dielectric properties of CCTO. Addition of an optimum amount of B{sub 2}O{sub 3} glass facilitated grain growth and an increase in dielectric constant. However, further increase in the B{sub 2}O{sub 3} content resulted in its segregation at the grain boundaries associated with a reduction in themore » grain size. In contrast, BBS glass addition resulted in well-faceted grains and increase in the dielectric constant and decrease in the dielectric loss. An internal barrier layer capacitance (IBLC) model was invoked to correlate the dielectric constant with the grain size in these samples. - Graphical abstract: Scanning electron micrograph of 30 wt% BaO-60 wt% B{sub 2}O{sub 3}-10 wt% SiO{sub 2} (BBS) glass-added CaCu{sub 3}Ti{sub 4}O{sub 12} ceramic on sintering.« less

Long Term Effects of Poultry Litter on Soil Physical and Chemical Properties in Cotton Plots

NASA Technical Reports Server (NTRS)

Surrency, J.; Tsegaye, T.; Coleman, T.; Fahsi, A.; Reddy, C.

1998-01-01

Poultry litter and compost can alter the moisture holding capacity of a soil. These organic materials can also increase the nutrient status of a soil during the decomposition process by microbial actions. The objective of this study was to evaluate the effect of poultry litter and compost on the dielectric constant and moisture holding capacity of soil. The Delta-T theta-probe was used to measure volumetric soil water content and the apparent dielectric constant of the upper 6-cm of the soil profile. Soil texture, pH, and organic matter were also determined for each plot. Results of these analyses indicated that the pH of the soil ranged from 6.4 to 7.7 and the volumetric soil moisture content ranged from 0.06 to 0.18 cu m/cu m for the upper 6-cm of the soil profile. The effect of poultry litter and compost on soil properties resulted in an increase in the volumetric moisture content and dielectric constant of the soil due to the improvement of the soil structure.

Polytypism and unexpected strong interlayer coupling in two-dimensional layered ReS2

NASA Astrophysics Data System (ADS)

Qiao, Xiao-Fen; Wu, Jiang-Bin; Zhou, Linwei; Qiao, Jingsi; Shi, Wei; Chen, Tao; Zhang, Xin; Zhang, Jun; Ji, Wei; Tan, Ping-Heng

2016-04-01

Anisotropic two-dimensional (2D) van der Waals (vdW) layered materials, with both scientific interest and application potential, offer one more dimension than isotropic 2D materials to tune their physical properties. Various physical properties of 2D multi-layer materials are modulated by varying their stacking orders owing to significant interlayer vdW coupling. Multilayer rhenium disulfide (ReS2), a representative anisotropic 2D material, was expected to be randomly stacked and lack interlayer coupling. Here, we demonstrate two stable stacking orders, namely isotropic-like (IS) and anisotropic-like (AI) N layer (NL, N > 1) ReS2 are revealed by ultralow- and high-frequency Raman spectroscopy, photoluminescence and first-principles density functional theory calculation. Two interlayer shear modes are observed in AI-NL-ReS2 while only one shear mode appears in IS-NL-ReS2, suggesting anisotropic- and isotropic-like stacking orders in IS- and AI-NL-ReS2, respectively. This explicit difference in the observed frequencies identifies an unexpected strong interlayer coupling in IS- and AI-NL-ReS2. Quantitatively, the force constants of them are found to be around 55-90% of those of multilayer MoS2. The revealed strong interlayer coupling and polytypism in multi-layer ReS2 may stimulate future studies on engineering physical properties of other anisotropic 2D materials by stacking orders.Anisotropic two-dimensional (2D) van der Waals (vdW) layered materials, with both scientific interest and application potential, offer one more dimension than isotropic 2D materials to tune their physical properties. Various physical properties of 2D multi-layer materials are modulated by varying their stacking orders owing to significant interlayer vdW coupling. Multilayer rhenium disulfide (ReS2), a representative anisotropic 2D material, was expected to be randomly stacked and lack interlayer coupling. Here, we demonstrate two stable stacking orders, namely isotropic-like (IS) and anisotropic-like (AI) N layer (NL, N > 1) ReS2 are revealed by ultralow- and high-frequency Raman spectroscopy, photoluminescence and first-principles density functional theory calculation. Two interlayer shear modes are observed in AI-NL-ReS2 while only one shear mode appears in IS-NL-ReS2, suggesting anisotropic- and isotropic-like stacking orders in IS- and AI-NL-ReS2, respectively. This explicit difference in the observed frequencies identifies an unexpected strong interlayer coupling in IS- and AI-NL-ReS2. Quantitatively, the force constants of them are found to be around 55-90% of those of multilayer MoS2. The revealed strong interlayer coupling and polytypism in multi-layer ReS2 may stimulate future studies on engineering physical properties of other anisotropic 2D materials by stacking orders. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr01569g

Effect of stacking fault energy on mechanism of plastic deformation in nanotwinned FCC metals

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

Borovikov, Valery; Mendelev, Mikhail I.; King, Alexander H.

Starting from a semi-empirical potential designed for Cu, we have developed a series of potentials that provide essentially constant values of all significant (calculated) materials properties except for the intrinsic stacking fault energy, which varies over a range that encompasses the lowest and highest values observed in nature. In addition, these potentials were employed in molecular dynamics (MD) simulations to investigate how stacking fault energy affects the mechanical behavior of nanotwinned face-centered cubic (FCC) materials. The results indicate that properties such as yield strength and microstructural stability do not vary systematically with stacking fault energy, but rather fall into twomore » distinct regimes corresponding to 'low' and 'high' stacking fault energies.« less

Effect of stacking fault energy on mechanism of plastic deformation in nanotwinned FCC metals

DOE PAGES

Borovikov, Valery; Mendelev, Mikhail I.; King, Alexander H.; ...

2015-05-15

Starting from a semi-empirical potential designed for Cu, we have developed a series of potentials that provide essentially constant values of all significant (calculated) materials properties except for the intrinsic stacking fault energy, which varies over a range that encompasses the lowest and highest values observed in nature. In addition, these potentials were employed in molecular dynamics (MD) simulations to investigate how stacking fault energy affects the mechanical behavior of nanotwinned face-centered cubic (FCC) materials. The results indicate that properties such as yield strength and microstructural stability do not vary systematically with stacking fault energy, but rather fall into twomore » distinct regimes corresponding to 'low' and 'high' stacking fault energies.« less

Nanostructured Composites: Effective Mechanical Property Determination of Nanotube Bundles

NASA Technical Reports Server (NTRS)

Saether, E.; Pipes, R. B.; Frankland, S. J. V.

2002-01-01

Carbon nanotubes naturally tend to form crystals in the form of hexagonally packed bundles or ropes that should exhibit a transversely isotropic constitutive behavior. Although the intratube axial stiffness is on the order of 1 TPa due to a strong network of delocalized bonds, the intertube cohesive strength is orders of magnitude less controlled by weak, nonbonding van der Waals interactions. An accurate determination of the effective mechanical properties of nanotube bundles is important to assess potential structural applications such as reinforcement in future composite material systems. A direct method for calculating effective material constants is developed in the present study. The Lennard-Jones potential is used to model the nonbonding cohesive forces. A complete set of transverse moduli are obtained and compared with existing data.

Energy Storage of Polyarylene Ether Nitriles at High Temperature

NASA Astrophysics Data System (ADS)

Tang, Xiaohe; You, Yong; Mao, Hua; Li, Kui; Wei, Renbo; Liu, Xiaobo

2018-03-01

Polyarylene ether nitrile (PEN) was synthesized and used as film capacitors for energy storage at high temperature. Scanning electron microscopy observation indicated that the films of PEN have pinholes at nanoscales which restricted the energy storage properties of the material. The pinhole shadowing effect through which the energy storage properties of PEN were effectively improved to be 2.3 J/cm3 was observed by using the overlapped film of PEN. The high glass transition temperature (T g) of PEN was as high as 216 °C and PEN film showed stable dielectric constant, breakdown strength and energy storage density before the T g. The PEN films will be a potential candidate as high performance electronic storage materials used at high temperature.

Influence of continuous magnetic field on the separation of ephedrine enantiomers by molecularly imprinted polymers.

PubMed

Guerreiro, António R; Korkhov, Vadim; Mijangos, Irene; Piletska, Elena V; Rodins, Juris; Turner, Anthony P F; Piletsky, Sergey A

2008-02-28

A set of polymers was imprinted with (-)-ephedrine using UV initiation, under the influence of a constant external magnetic field with intensities ranging from 0 to 1.55 T. Synthesised materials were characterised by X-ray crystallography, infrared spectroscopy, swelling and surface area. Recognition properties were assessed by the ability to discriminate between (+) and (-)-ephedrine and by Scatchard analyses on chromatographic mode. It was shown that polymer morphology and recognition properties are affected by the magnetic field. This resulted in considerable improvements in the chromatographic resolution of ephedrine enantiomers by materials synthesised under the influence of magnetic field. Apparently the magnetic field improved the ordering of the polymer structure and facilitated the formation of more uniform imprinting sites.

Property measurements and solidification studies by electrostatic levitation.

PubMed

Paradis, Paul-François; Yu, Jianding; Ishikawa, Takehiko; Yoda, Shinichi

2004-11-01

The National Space Development Agency of Japan has recently developed several electrostatic levitation furnaces and implemented new techniques and procedures for property measurement, solidification studies, and atomic structure research. In addition to the contamination-free environment for undercooled and liquid metals and semiconductors, the newly developed facilities possess the unique capabilities of handling ceramics and high vapor pressure materials, reducing processing time, and imaging high luminosity samples. These are exemplified in this paper with the successful processing of BaTiO(3). This allowed measurement of the density of high temperature solid, liquid, and undercooled phases. Furthermore, the material resulting from containerless solidification consisted of micrometer-size particles and a glass-like phase exhibiting a giant dielectric constant exceeding 100,000.

Broadband one-dimensional photonic crystal wave plate containing single-negative materials.

PubMed

Chen, Yihang

2010-09-13

The properties of the phase shift of wave reflected from one-dimensional photonic crystals consisting of periodic layers of single-negative (permittivity- or permeability-negative) materials are demonstrated. As the incident angle increases, the reflection phase shift of TE wave decreases, while that of TM wave increases. The phase shifts of both polarized waves vary smoothly as the frequency changes across the photonic crystal stop band. Consequently, the difference between the phase shift of TE and that of TM wave could remain constant in a rather wide frequency range inside the stop band. These properties are useful to design wave plate or retarder which can be used in wide spectral band. In addition, a broadband photonic crystal quarter-wave plate is proposed.

Photoinduced Giant Dielectric Constant in Lead Halide Perovskite Solar Cells.

PubMed

Juarez-Perez, Emilio J; Sanchez, Rafael S; Badia, Laura; Garcia-Belmonte, Germá; Kang, Yong Soo; Mora-Sero, Ivan; Bisquert, Juan

2014-07-03

Organic-inorganic lead trihalide perovskites have emerged as an outstanding photovoltaic material that demonstrated a high 17.9% conversion efficiency of sunlight to electricity in a short time. We have found a giant dielectric constant (GDC) phenomenon in these materials consisting on a low frequency dielectric constant in the dark of the order of ε0 = 1000. We also found an unprecedented behavior in which ε0 further increases under illumination or by charge injection at applied bias. We observe that ε0 increases nearly linearly with the illumination intensity up to an additional factor 1000 under 1 sun. Measurement of a variety of samples of different morphologies, compositions, and different types of contacts shows that the GDC is an intrinsic property of MAPbX3 (MA = CH3NH3(+)). We hypothesize that the large dielectric response is induced by structural fluctuations. Photoinduced carriers modify the local unit cell equilibrium and change the polarizability, assisted by the freedom of rotation of MA. The study opens a way for the understanding of a key aspect of the photovoltaic operation of high efficiency perovskite solar cells.

Metal Decorated Multi-Walled Carbon Nanotube/Polyimide Composites with High Dielectric Constants and Low Loss Factors

NASA Technical Reports Server (NTRS)

Elliott, Holly A.; Dudley, Kenneth L.; Smith, Joseph G.; Connell, John W.; Ghose, Sayata; Watson, Kent A.; Sun, Keun J.

2009-01-01

The measurement of observable electromagnetic phenomena in materials and their derived intrinsic electrical material properties are of prime importance in the discovery and development of material systems for electronic and aerospace applications. Nanocomposite materials comprised of metal decorated multi-walled carbon nanotubes (MWCNTs) were prepared by a facile method and characterized. Metal particles such as silver(Ag), platinum(Pt) and palladium(Pd) with diameters ranging from less than 5 to over 50 nanometers were distributed randomly on the MWCNTs. The present study is focused on silver decorated MWCNTs dispersed in a polyimide matrix. The Ag-containing MWCNTs were melt mixed into Ultem(TradeMark) and the mixture extruded as ribbons. The extruded ribbons exhibited a moderate to high degree of MWCNT alignment as determined by HRSEM. These ribbons were then fabricated into test specimens while maintaining MWCNT alignment and subsequently characterized for electrical and electromagnetic properties at 8-12 GHz. The results of the electromagnetic characterization showed that certain sample configurations exhibited a decoupling of the permittivity (epsilon ) and loss factor (epsilon") indicating that these properties could be tailored within certain limits. The decoupling and independent control of these fundamental electrical material parameters offers a new class of materials with potential applications in electronics, microwave engineering and optics.

Metal Decorated Multi-Walled Carbon Nanotube/Polyimide Composites with High Dielectric Constants and Low Loss Factors

NASA Technical Reports Server (NTRS)

Ghose, Sayata; Watson, Kent A.; Dudley, Kenneth L.; Elliott, Holly A.; Smith, Joseph G.; Connell, John W.

2009-01-01

The measurement of observable electromagnetic phenomena in materials and their derived intrinsic electric material properties are of prime importance in the discovery and development of material systems for electronic and aerospace applications. Nanocomposite materials comprised of metal decorated multi-walled carbon nanotubes (MWCNTs) were prepared by a facile method and characterized. Metal particles such as silver, platinum and palladium with diameters ranging from less than 5 to over 50 nanometers were distributed randomly on the MWCNTs. The metal-containing MWCNTs were then melt mixed into a polymer matrix and the mixture extruded as ribbons. These extruded ribbons exhibited a moderate to high degree of MWCNT alignment as determined by HRSEM. These ribbons were then fabricated into test specimens while maintaining MWCNT alignment and subsequently characterized for electromagnetic properties at 8-12 GHz. The present study is focused on silver decorated MWCNTs dispersed in an Ultem polyimide matrix. The results of the electromagnetic characterization showed that certain sample configurations exhibited a decoupling of the permittivity and loss factor (?? and ??) indicating that these properties could be tailored within certain limits. The decoupling and independent control of these fundamental electrical material parameters offer a new class of materials with potential applications in electronics, microwave engineering and optics.

Preliminary investigation of polystyrene/MoS{sub 2}-Oleylamine polymer composite for potential application as low-dielectric material in microelectronics

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

Landi, Giovanni, E-mail: glandi@unisa.it; Department of Industrial Engineering, University of Salerno, Via G. Paolo II 132, 84084 Fisciano; Altavilla, Claudia

2015-12-17

Insulating materials play a vital role in the design and performance of electrical systems for both steady and transient state conditions. Among the other properties, also in this field, polymer nanocomposites promise to offer exciting improvements. Many studies in the last decade has witnessed significant developments in the area of nano-dielectric materials and significant effects of nano-scale fillers on electric, thermal and mechanical properties of polymeric materials have been observed. However, the developments of new and advanced materials to be used the miniaturization of electronic devices fabrication require extensive studies on electrical insulation characteristics of these materials before they canmore » be used in commercial systems. In this work, Polystyrene (PS) composites were prepared by the blend solution method using MoS{sub 2}@Oleylamine nanosheets as filler. The dielectric properties of the resulting comoposite have been investigated at 300K and in the frequency range between 1000 Hz and 1 MHz. The addition of the MoS{sub 2}@Oleylamine nanosheets leads to a decreasing of the relative dielectric constant and of the electrical conductivity measured in the voltage range between ±500V. Thanks to a possibility to tune the electrical permittivity with the control of MoS{sub 2} concentration, these materials could be used as a low-dielectric material in the microelectronics applications.« less

Photoconductivity of Low-Bandgap Polymer and Polymer: Fullerene Bulk Heterojunction Studied by Constant Photocurrent Method

NASA Astrophysics Data System (ADS)

Malov, V. V.; Tameev, A. R.; Novikov, S. V.; Khenkin, M. V.; Kazanskii, A. G.; Vannikov, A. V.

2015-08-01

Optical and photoelectric properties of modern photosensitive polymers are of great interest due to their prospects for photovoltaic applications. In particular, an investigation of absorption and photoconductivity edge of these materials could provide valuable information. For these purpose we applied the constant photocurrent method which has proved its efficiency for inorganic materials. PCDTBT and PTB7 polymers were used as objects for the study as well as their blends with a fullerene derivative PC71BM. The measurements by constant photocurrent method (CPM) show that formation of bulk heterojunction (BHJ) in the blends increases photoconductivity and results in a redshift of the photocurrent edge in the doped polymers compared with that in the neat polymers. Obtained from CPM data, spectral dependences of absorption coefficient were approximated using Gaussian distribution of density-of-states within HOMO (highest occupied molecular orbital) and LUMO (lowest unoccupied molecular orbital) bands. The approximation procedure allowed us to evaluate rather optical than electrical bandgaps for the studied materials. Moreover, spectra of polymer:PC71BM blends were fitted well by the sum of two Gaussian peaks which reveal both the transitions within the polymer and the transitions involving charge transfer states at the donor-acceptor interface in the BHJ.

Nonlinear dielectric effects in liquids: a guided tour

NASA Astrophysics Data System (ADS)

Richert, Ranko

2017-09-01

Dielectric relaxation measurements probe how the polarization of a material responds to the application of an external electric field, providing information on structure and dynamics of the sample. In the limit of small fields and thus linear response, such experiments reveal the properties of the material in the same thermodynamic state it would have in the absence of the external field. At sufficiently high fields, reversible changes in enthalpy and entropy of the system occur even at constant temperature, and these will in turn alter the polarization responses. The resulting nonlinear dielectric effects feature field induced suppressions (saturation) and enhancements (chemical effect) of the amplitudes, as well as time constant shifts towards faster (energy absorption) and slower (entropy reduction) dynamics. This review focuses on the effects of high electric fields that are reversible and observed at constant temperature for single component glass-forming liquids. The experimental challenges involved in nonlinear dielectric experiments, the approaches to separating and identifying the different sources of nonlinear behavior, and the current understanding of how high electric fields affect dielectric materials will be discussed. Covering studies from Debye’s initial approach to the present state-of-the-art, it will be emphasized what insight can be gained from the nonlinear responses that are not available from dielectric relaxation results obtained in the linear regime.

Model of bidirectional reflectance distribution function for metallic materials

NASA Astrophysics Data System (ADS)

Wang, Kai; Zhu, Jing-Ping; Liu, Hong; Hou, Xun

2016-09-01

Based on the three-component assumption that the reflection is divided into specular reflection, directional diffuse reflection, and ideal diffuse reflection, a bidirectional reflectance distribution function (BRDF) model of metallic materials is presented. Compared with the two-component assumption that the reflection is composed of specular reflection and diffuse reflection, the three-component assumption divides the diffuse reflection into directional diffuse and ideal diffuse reflection. This model effectively resolves the problem that constant diffuse reflection leads to considerable error for metallic materials. Simulation and measurement results validate that this three-component BRDF model can improve the modeling accuracy significantly and describe the reflection properties in the hemisphere space precisely for the metallic materials.

Investigation of Biodiesel Through Photopyroelectric and Dielectric-Constant Measurements as a Function of Temperature: Freezing/Melting Interval

NASA Astrophysics Data System (ADS)

Zanelato, E. B.; Machado, F. A. L.; Rangel, A. B.; Guimarães, A. O.; Vargas, H.; da Silva, E. C.; Mansanares, A. M.

2015-06-01

Biodiesel is a promising option for alternative fuels since it derives from natural and renewable materials; it is biodegradable and less polluting than fossil fuels. A gradual replacement of diesel by biodiesel has been adopted by many countries, making necessary the investigation of the physical properties of biodiesel and of its mixture in diesel. Photothermal techniques, specifically the photopyroelectric technique (PPE), have proved to be suitable in the characterization of biodiesel and of its precursor oils, as well as of the biodiesel/diesel mixtures. In this paper, we investigate thermal and electrical properties of animal fat-based biodiesel as a function of temperature, aiming to characterize the freezing/melting interval and the changes in the physical properties from the solid to the liquid phase. The samples were prepared using the transesterification method, by the ethylic route. Optical transmittance experiments were carried out in order to confirm the phase transition interval. Solid and liquid phases present distinct thermal diffusivities and conductivities, as well as dielectric constants. The PPE signal amplitude is governed by the changes in the thermal diffusivity/conductivity. As a consequence, the amplitude of the signal becomes like a step function, which is smoothed and sometimes delayed by the nucleation processes during cooling. A similar behavior is found in the dielectric constant data, which is higher in the liquid phase since the molecules have a higher degree of freedom. Both methods (PPE/dielectric constant) proved to be useful in the characterization of the freezing/melting interval, as well as to establish the distinction in the physical properties of solid and liquid phases. The methodology allowed a discussion of the cloud point and the pour point of the samples in the temperature variation interval.

Theory of nanoscale friction on chemically modified graphene

NASA Astrophysics Data System (ADS)

Ko, Jae-Hyeon; Kim, Yong-Hyun

2013-03-01

Recently, it is known from FFM experiments that friction force on graphene is significantly increased by chemical modification such as hydrogenation, oxidization, and fluorination, whereas adhesion properties are altered marginally. A novel nanotribological theory on two-dimensional materials is proposed on the basis of experimental results and first-principles density-functional theory (DFT) calculations. The proposed theory indicates that the total lateral stiffness that is the proportional constant of friction force is mostly associated with the out-of-plane bending stiffness of two-dimensional materials. This contrasts to the case of three-dimensional materials, in which the shear strength of materials determines nanoscale friction. We will discuss details of DFT calculations and how to generalize the current theory to three dimensional materials.

Bone strength in pure bending: bearing of geometric and material properties.

PubMed

Winter, Werner

2008-01-01

Osteoporosis is characterized by decreasing of bone mass and bone strength with advanced age. For characterization of material properties of dense and cellular bone the volumetric bone mineral density (vBMD) is one of the most important contributing factors to bone strength. Often bending tests of whole bone are used to get information about the state of osteoporosis. In a first step, different types of cellular structures are considered to characterize vBMD and its influence to elastic and plastic material properties. Afterwards, the classical theory of plastic bending is used to describe the non-linear moment-curvature relation of a whole bone. For bending of whole bone with sandwich structure an effective second moment of area can be defined. The shape factor as a pure geometrical value is considered to define bone strength. This factor is discussed for a bone with circular cross section and different thickness of cortical bone. The deduced relations and the decrease of material properties are used to demonstrate the influence of osteoporosis to bone bending strength. It can be shown that the elastic and plastic material properties of bone are related to a relative bone mineral density. Starting from an elastic-plastic bone behavior with an constant yield stress the non-linear moment-curvature relation in bending is related to yielding of the fibres in the cross section. The ultimate moment is characterized by a shape factor depending on the geometry of the cross section and on the change of cortical thickness.

Electronic structure and linear optical properties of ZnSe and ZnSe:Mn.

PubMed

Su, Kang; Wang, Yuhua

2010-03-01

As an important wide band-gap II-VI semiconductor, ZnSe has attracted much attention for its various applications in photo-electronic devices such as blue light-emitting diodes and blue-green diode lasers. Mn-doped ZnSe is an excellent quantum dot material. The electronic structures of the sphalerite ZnSe and ZnSe:Mn were calculated using the Vienna ab initio Simulation Package with ultra-soft pseudo potentials and Material Studio. The calculated equilibrium lattice constants agree well with the experimental values. Using the optimized equilibrium lattice constants, the densities of states and energy band structures were further calculated. By analyzing the partial densities of states, the contributions of different electron states in different atoms were estimated. The p states of Zn mostly contribute to the top of the valence band, and the s states of Zn and the s states of Se have major effects on the bottom of the conduction band. The calculated results of ZnSe:Mn show the band gap was changed from 2.48 to 1.1 eV. The calculated linear optical properties, such as refractive index and absorption spectrum, are in good agreement with experimental values.

Transient deformational properties of high temperature alloys used in solid oxide fuel cell stacks

NASA Astrophysics Data System (ADS)

Molla, Tesfaye Tadesse; Kwok, Kawai; Frandsen, Henrik Lund

2017-05-01

Stresses and probability of failure during operation of solid oxide fuel cells (SOFCs) is affected by the deformational properties of the different components of the SOFC stack. Though the overall stress relaxes with time during steady state operation, large stresses would normally appear through transients in operation including temporary shut downs. These stresses are highly affected by the transient creep behavior of metallic components in the SOFC stack. This study investigates whether a variation of the so-called Chaboche's unified power law together with isotropic hardening can represent the transient behavior of Crofer 22 APU, a typical iron-chromium alloy used in SOFC stacks. The material parameters for the model are determined by measurements involving relaxation and constant strain rate experiments. The constitutive law is implemented into commercial finite element software using a user-defined material model. This is used to validate the developed constitutive law to experiments with constant strain rate, cyclic and creep experiments. The predictions from the developed model are found to agree well with experimental data. It is therefore concluded that Chaboche's unified power law can be applied to describe the high temperature inelastic deformational behaviors of Crofer 22 APU used for metallic interconnects in SOFC stacks.

Nanomechanics of biocompatible hollow thin-shell polymer microspheres.

PubMed

Glynos, Emmanouil; Koutsos, Vasileios; McDicken, W Norman; Moran, Carmel M; Pye, Stephen D; Ross, James A; Sboros, Vassilis

2009-07-07

The nanomechanical properties of biocompatible thin-shell hollow polymer microspheres with approximately constant ratio of shell thickness to microsphere diameter were measured by nanocompression tests in aqueous conditions. These microspheres encapsulate an inert gas and are used as ultrasound contrast agents by releasing free microbubbles in the presence of an ultrasound field as a result of free gas leakage from the shell. The tests were performed using an atomic force microscope (AFM) employing the force-distance curve technique. An optical microscope, on which the AFM was mounted, was used to guide the positioning of tipless cantilevers on top of individual microspheres. We performed a systematic study using several cantilevers with spring constants varying from 0.08 to 2.3 N/m on a population of microspheres with diameters from about 2 to 6 microm. The use of several cantilevers with various spring constants allowed a systematic study of the mechanical properties of the microsphere thin shell at different regimes of force and deformation. Using thin-shell mechanics theory for small deformations, the Young's modulus of the thin wall material was estimated and was shown to exhibit a strong size effect: it increased as the shell became thinner. The Young's modulus of thicker microsphere shells converged to the expected value for the macroscopic bulk material. For high applied forces, the force-deformation profiles showed a reversible and/or irreversible nonlinear behavior including "steps" and "jumps" which were attributed to mechanical instabilities such as buckling events.

Process Feasibility Study in Support of Silicon Material Task 1

NASA Technical Reports Server (NTRS)

Li, K. Y.; Hansen, K. C.; Yaws, C. L.

1979-01-01

Analysis of process system properties was continued for silicon source materials under consideration for producing silicon. The following property data are reported for dichlorosilane which is involved in processing operations for silicon: critical constants, vapor pressure, heat of vaporization, heat capacity, density, surface tension, thermal conductivity, heat of formation and Gibb's free energy of formation. The properties are reported as a function of temperature to permit rapid engineering usage. The preliminary economic analysis of the process is described. Cost analysis results for the process (case A-two deposition reactors and six electrolysis cells) are presented based on a preliminary process design of a plant to produce 1,000 metric tons/year of silicon. Fixed capital investment estimate for the plant is $12.47 million (1975 dollars) ($17.47 million, 1980 dollars). Product cost without profit is 8.63 $/kg of silicon (1975 dollars)(12.1 $/kg, 1980 dollars).

Studies on structural and electrical properties of nanostructured RMnO3 (R = Gd & Ho)

NASA Astrophysics Data System (ADS)

Sapana, Solanki; Dhruv, Davit; Joshi, Zalak; Gadani, Keval; Rathod, K. N.; Boricha, Hetal; Shrimali, V. G.; Trivedi, R. K.; Joshi, A. D.; Pandya, D. D.; Solanki, P. S.; Shah, N. A.

2017-05-01

We report the results of the studies on the structural and electrical properties of multiferroic GdMnO3 and HoMnO3 materials synthesized by sol-gel route. Structural analysis of the results of X-ray diffraction (XRD) measurement shows that materials are found to be crystallized in orthorhombic and hexagonal symmetry, respectively for GdMnO3 and HoMnO3. Frequency dependent dielectric properties of nanostructured GdMnO3 and HoMnO3 were carried out using LCR meter in the frequency range of 100Hz to 2MHz at room temperature. Dielectric constant decreases with increasing frequency for both the nanostructured multiferroics which can be attributed to the dipole relaxation process. AC conductivity (σAC) has been measured for both the samples and fitted theoretically by using power law equation.

Frequency dispersions of human skin dielectrics.

PubMed Central

Poon, C S; Choy, T T

1981-01-01

The electrical properties of many biological materials are known to exhibit frequency dispersions. In the human skin, the impedance measured at various frequencies closely describes a circular locus of the Cole-Cole type in the complex impedance plane. In this report, the formative mechanisms responsible for the anomalous circular-arc behavior of skin impedance were investigated, using data from impedance measurements taken after successive strippings of the skin. The data were analyzed with respect to changes in the parameters of the equivalent Cole-Cole model after each stripping. For an exponential resistivity profile (Tregear, 1966, Physical Functions of Skin; Yamamoto and Yamamoto, 1976, Med. Biol. Eng., 14:151--158), the profile of the dielectric constant was shown to be uniform across the epidermis. Based on these results, a structural model has been formulated in terms of the relaxation theory of Maxwell and Wagner for inhomogeneous dielectric materials. The impedance locus obtained from the model approximates a circular are with phase constant alpha = 0.82, which compares favorably with experimental data. At higher frequencies a constant-phase, frequency-dependent component having the same phase constant alpha is also demonstrated. It is suggested that an approximately rectangular distribution of the relaxation time over the epidermal dielectric sheath is adequate to account for the anomalous frequency characteristics of human skin impedance. PMID:7213928

Lattice constant changes leading to significant changes of the spin-gapless features and physical nature in a inverse Heusler compound Zr2MnGa

NASA Astrophysics Data System (ADS)

Wang, Xiaotian; Cheng, Zhenxiang; Khenata, Rabah; Wu, Yang; Wang, Liying; Liu, Guodong

2017-12-01

The spin-gapless semiconductors with parabolic energy dispersions [1-3] have been recently proposed as a new class of materials for potential applications in spintronic devices. In this work, according to the Slater-Pauling rule, we report the fully-compensated ferrimagnetic (FCF) behavior and spin-gapless semiconducting (SGS) properties for a new inverse Heusler compound Zr2MnGa by means of the plane-wave pseudo-potential method based on density functional theory. With the help of GGA-PBE, the electronic structures and the magnetism of Zr2MnGa compound at its equilibrium and strained lattice constants are systematically studied. The calculated results show that the Zr2MnGa is a new SGS at its equilibrium lattice constant: there is an energy gap between the conduction and valence bands for both the majority and minority electrons, while there is no gap between the majority electrons in the valence band and the minority electrons in the conduction band. Remarkably, not only a diverse physical nature transition, but also different types of spin-gapless features can be observed with the change of the lattice constants. Our calculated results of Zr2MnGa compound indicate that this material has great application potential in spintronic devices.

Experimental investigation of Rayleigh Taylor instability in elastic-plastic materials

NASA Astrophysics Data System (ADS)

Haley, Aaron Alan; Banerjee, Arindam

2010-11-01

The interface of an elastic-plastic plate accelerated by a fluid of lower density is Rayleigh Taylor (RT) unstable, the growth being mitigated by the mechanical strength of the plate. The instability is observed when metal plates are accelerated by high explosives, in explosive welding, and in volcanic island formation due to the strength of the inner crust. In contrast to the classical case involving Newtonian fluids, RT instability in accelerated solids is not well understood. The difficulties for constructing a theory for the linear growth phase in solids is essentially due to the character of elastic-plastic constitutive properties which has a nonlinear dependence on the magnitude of the rate of deformation. Experimental investigation of the phenomena is difficult due to the exceedingly small time scales (in high energy density experiments) and large measurement uncertainties of material properties. We performed experiments on our Two-Wheel facility to study the linear stage of the incompressible RT instability in elastic-plastic materials (yogurt) whose properties were well characterized. Rotation of the wheels imparted a constant centrifugal acceleration on the material interface that was cut with a small sinusoidal ripple. The controlled initial conditions and precise acceleration amplitudes are levied to investigate transition from elastic to plastic deformation and allow accurate and detailed measurements of flow properties.

Study on the characteristics of magneto-sensitive electromagnetic wave-absorbing properties of magnetorheological elastomers

NASA Astrophysics Data System (ADS)

Yu, Miao; Yang, Pingan; Fu, Jie; Liu, Shuzhi; Qi, Song

2016-08-01

Magnetorheological (MR) materials are a class of materials whose mechanical and electrical properties can be reversible controlled by the magnetic field. In this study, we pioneered research on the effect of a uniform magnetic field with different strengths and directions on the microwave-absorbing properties of magnetorheological elastomers (MREs), in which the ferromagnetic particles are flower-like carbonyl iron powders (CIPs) prepared by an in situ reduction method. The electromagnetic (EM) absorbing properties of the composites have been analyzed by vector network analysis with the coaxial reflection/transmission technique. Under the magnetic field, the columnar or chainlike structures were formed, which allows EM waves to penetrate. Meanwhile, stronger Debye dipolar relaxation and attenuation constant have been obtained when changing the direction of the applied magnetic field. Compared with untreated MREs, not only have the minimum reflection loss (RL) and the effective absorption bandwidth (below -20 dB) greatly increased, the frequencies of the absorbing peaks shift about 15%. This suggests that MREs are a magnetic-field-sensitive electromagnetic wave-absorbing material and have great potential in applications such as in anti-radar camouflage, due to the fact that radar can continuously conduct detection at many electromagnetic frequencies, while the MR materials can adjust the microwave-absorption peak according to the radar frequency.

Marine algae sulfated polysaccharides for tissue engineering and drug delivery approaches

PubMed Central

Silva, Tiago H.; Alves, Anabela; Popa, Elena G.; Reys, Lara L.; Gomes, Manuela E.; Sousa, Rui A.; Silva, Simone S.; Mano, João F.; Reis, Rui L.

2012-01-01

Biomedical field is constantly requesting for new biomaterials, with innovative properties. Natural polymers appear as materials of election for this goal due to their biocompatibility and biodegradability. In particular, materials found in marine environment are of great interest since the chemical and biological diversity found in this environment is almost uncountable and continuously growing with the research in deeper waters. Moreover, there is also a slower risk of these materials to pose illnesses to humans. In particular, sulfated polysaccharides can be found in marine environment, in different algae species. These polysaccharides don’t have equivalent in the terrestrial plants and resembles the chemical and biological properties of mammalian glycosaminoglycans. In this perspective, are receiving growing interest for application on health-related fields. On this review, we will focus on the biomedical applications of marine algae sulfated polymers, in particular on the development of innovative systems for tissue engineering and drug delivery approaches. PMID:23507892

Dispersion and thermal properties of lithium aluminum silicate glasses doped with Cr3+ ions

NASA Astrophysics Data System (ADS)

El-Diasty, Fouad; Abdel-Baki, Manal; Abdel Wahab, Fathy A.; Darwish, Hussein

2006-10-01

A series of new lithium aluminum silicate (LAS) glass systems doped with chromium ion is prepared. The reflectance and transmittance of the glass slabs are recorded. By means of an iteration procedure, the glass refractive index n and the extinction coefficient k and their dispersions are obtained. Across a wide spectral range of 0.2-1.6 μm, the dispersion curves are used to determine the atomic and quantum constants of the prepared glasses. These findings provide the average oscillator wavelength, the average oscillator strength, oscillator energy, dispersion energy, lattice energy, and material dispersion of the glass materials to be calculated. For optical waveguide applications, the wavelength for zero material dispersion is obtained. Dilatometric measurements are performed and the thermal expansion coefficient is calculated to throw some light on the thermo-optical properties of the present glasses correlating them with their structure and the presence of nonbridging oxygen ions.

Water and tissue equivalence properties of biological materials for photons, electrons, protons and alpha particles in the energy region 10 keV-1 GeV: a comparative study.

PubMed

Kurudirek, Murat

2016-09-01

To compare some biological materials in respect to the water and tissue equivalence properties for photon, electron, proton and alpha particle interactions as means of the effective atomic number (Zeff) and electron density (Ne). A Z-wise interpolation procedure has been adopted for calculation of Zeff using the mass attenuation coefficients for photons and the mass stopping powers for charged particles. At relatively low energies (100 keV-3 MeV), Zeff and Ne for photons and electrons were found to be constant while they vary much more for protons and alpha particles. In contrast, Zeff and Ne for protons and alpha particles were found to be constant after 3 MeV whereas for photons and electrons they were found to increase with the increasing energy. Also, muscle eq. liquid (with sucrose) have Zeff and Ne values close to the Muscle Skeletal (ICRP) and Muscle Striated (ICRU) within low relative differences below 9%. Muscle eq. liquid (without sucrose) have Zeff and Ne values close to the Muscle Skeletal (ICRP) and Muscle Striated (ICRU) with difference below 10%. The reported data should be useful in determining best water as well as tissue equivalent materials for photon, electron, proton and alpha particle interactions.

Tunable microwave absorbing nano-material for X-band applications

NASA Astrophysics Data System (ADS)

Sadiq, Imran; Naseem, Shahzad; Ashiq, Muhammad Naeem; Khan, M. A.; Niaz, Shanawer; Rana, M. U.

2016-03-01

The effect of rare earth elements substitution in Sr1.96RE0.04Co2Fe27.80Mn0.2O46 (RE=Ce, Gd, Nd, La and Sm) X-type hexagonal ferrites prepared by using sol gel autocombustion method was studied. The XRD and FTIR analysis show the single phase of the prepared material. The lattice constants a (Å) and c (Å) varies with the additives. The particle size measured by Scherer formula for all the samples varies in the range of 54-100 nm and confirmed by the TEM analysis. The average grain size measured by SEM analysis lies in the range of 0.672-1.01 μm for all the samples. The Gd-substituted ferrite has higher value of coercivity (526.06 G) among all the samples which could be a good material for longitudinal recording media. The results also indicate that the Gd-substituted sample has maximum reflection loss of -25.2 dB at 11.878 GHz, can exhibit the best microwave absorption properties among all the substituted samples. Furthermore, the minimum value of reflection loss shifts towards the lower and higher frequencies with the substitution of rare earth elements which confirms that the microwave absorption properties can be tuned with the substitution of rare earth elements in pure ferrites. The peak value of attenuation constant at higher frequency agrees well the reflection loss data.

Martian physical properties experiments: The Viking Mars Lander

USGS Publications Warehouse

Shorthill, R.W.; Hutton, R.E.; Moore, H.J.; Scott, R.F.

1972-01-01

Current data indicate that Mars, like the Earth and Moon, will have a soil-like layer. An understanding of this soil-like layer is an essential ingredient in understanding the Martian ecology. The Viking Lander and its subsystems will be used in a manner similar to that used by Sue Surveyor program to define properties of the Martian "soil". Data for estimates of bearing strength, cohesion, angle of internal friction, porosity, grain size, adhesion, thermal inertia, dielectric constants, and homogeneity of the Martian surface materials will be collected. ?? 1972.

The effect of carbon concentration and plastic deformation on ultrasonic higher order elastic properties of steel

NASA Technical Reports Server (NTRS)

Heyman, J. S.; Allison, S. G.; Salama, K.

1985-01-01

The behavior of higher order elastic properties, which are much more sensitive to material state than are second order properties, has been studied for steel alloys AISI 1016, 1045, 1095, and 8620 by measuring the stress derivative of the acoustic natural velocity to determine the stress acoustic constants (SAC's). Results of these tests show a 20 percent linear variation of SAC's with carbon content as well as even larger variations with prestrain (plastic deformation). The use of higher order elastic characterization permits quantitative evaluation of solids and may prove useful in studies of fatigue and fracture.

Ground penetrating radar antenna system analysis for prediction of earth material properties

USGS Publications Warehouse

Oden, C.P.; Wright, D.L.; Powers, M.H.; Olhoeft, G.

2005-01-01

The electrical properties of the ground directly beneath a ground penetrating radar (GPR) antenna very close to the earth's surface (ground-coupled) must be known in order to predict the antenna response. In order to investigate changing antenna response with varying ground properties, a series of finite difference time domain (FDTD) simulations were made for a bi-static (fixed horizontal offset between transmitting and receiving antennas) antenna array over a homogeneous ground. We examine the viability of using an inversion algorithm based on the simulated received waveforms to estimate the material properties of the earth near the antennas. Our analysis shows that, for a constant antenna height above the earth, the amplitude of certain frequencies in the received signal can be used to invert for the permittivity and conductivity of the ground. Once the antenna response is known, then the wave field near the antenna can be determined and sharper images of the subsurface near the antenna can be made. ?? 2005 IEEE.

Synthesis and physical characterization of γ-Fe2O3 and (α+γ)-Fe2O3 nanoparticles

NASA Astrophysics Data System (ADS)

Bhavani, P.; Reddy, N. Ramamanohar; Reddy, I. Venkata Subba

2017-01-01

Magnetic nanoparticles were synthesized at different hydrothermal temperatures (HT; 100, 130, 160 and 190 °C) by using a facile hydrothermal route combined with a subsequent calcination process. The calcined materials were analyzed for phase, microstructure, and magnetic and dielectric properties through different characterization techniques. The structural analyses revealed that the material prepared at a HT of 100 °C and sequentially calcined at 300 °C for 3 h showed a high degree of the maghemite structure. On the other hand calcined materials showed a small additional peak belonging to the hematite structure. FESEM micrographs of the materials calcined at HT, of 100 °C and 190 °C showed spherical-like nanoparticles with diameters in range 30 - 54 nm. Materials prepared at a HT of 160 °C followed by calcination at 300 °C for 3 h exhibited the highest saturation magnetization, Ms = 67 emu/g, with a lower coercivity; all materials were in a single domain state. A high dielectric constant (105.54) was observed for the calcined material that had been prepared at a HT of 130 °C. The dielectric properties of synthesized materials showed an almost frequency-independent behavior.

Vibrational and elastic properties of Ln2Sn2O7 (Ln = La, Sm, Gd, Dy, Ho, Er, Yb, or Lu)

NASA Astrophysics Data System (ADS)

Akbudak, S.; Kushwaha, A. K.

2018-04-01

In this study, an eight-parameter bond-bending force constant model was used to calculate the zone center phonon frequencies, elastic constants, and related properties of the stannate compounds Ln2Sn2O7 (Ln = La, Sm, Gd, Dy, Ho, Er, Yb, or Lu) with a pyrochlore structure. We found that the Snsbnd O bond strengths dominate the Ln-O and Osbnd O bonds. We also found that all of the materials are ductile and anisotropic in nature. The anisotropic nature of the compounds increases in the order of: La2Sn2O7 < Sm2Sn2O7 < Gd2Sn2O7 < Dy2Sn2O7 < Ho2Sn2O7 < Er2Sn2O7 < Yb2Sn2O7 < Lu2Sn2O7.

Variable horizon in a peridynamic medium

DOE PAGES

Silling, Stewart A.; Littlewood, David J.; Seleson, Pablo

2015-12-10

Here, a notion of material homogeneity is proposed for peridynamic bodies with variable horizon but constant bulk properties. A relation is derived that scales the force state according to the position-dependent horizon while keeping the bulk properties unchanged. Using this scaling relation, if the horizon depends on position, artifacts called ghost forces may arise in a body under a homogeneous deformation. These artifacts depend on the second derivative of the horizon and can be reduced by employing a modified equilibrium equation using a new quantity called the partial stress. Bodies with piecewise constant horizon can be modeled without ghost forcesmore » by using a simpler technique called a splice. As a limiting case of zero horizon, both the partial stress and splice techniques can be used to achieve local-nonlocal coupling. Computational examples, including dynamic fracture in a one-dimensional model with local-nonlocal coupling, illustrate the methods.« less

8 MeV electron beam induced modifications in the thermal, structural and electrical properties of nanophase CeO2 for potential electronics applications

NASA Astrophysics Data System (ADS)

Babitha, K. K.; Sreedevi, A.; Priyanka, K. P.; Ganesh, S.; Varghese, Thomas

2018-06-01

The effect of 8 MeV electron beam irradiation on the thermal, structural and electrical properties of CeO2 nanoparticles synthesized by chemical precipitation route was investigated. The dose dependent effect of electron irradiation was studied using various characterization techniques such as, thermogravimetric and differential thermal analyses, X-ray diffraction, Fourier transformed infrared spectroscopy and impedance spectroscopy. Systematic investigation based on the results of structural studies confirm that electron beam irradiation induces defects and particle size variation on CeO2 nanoparticles, which in turn results improvements in AC conductivity, dielectric constant and loss tangent. Structural modifications and high value of dielectric constant for CeO2 nanoparticles due to electron beam irradiation make it as a promising material for the fabrication of gate dielectric in metal oxide semiconductor devices.

Large local lattice expansion in graphene adlayers grown on copper

NASA Astrophysics Data System (ADS)

Chen, Chaoyu; Avila, José; Arezki, Hakim; Nguyen, Van Luan; Shen, Jiahong; Mucha-Kruczyński, Marcin; Yao, Fei; Boutchich, Mohamed; Chen, Yue; Lee, Young Hee; Asensio, Maria C.

2018-05-01

Variations of the lattice parameter can significantly change the properties of a material, and, in particular, its electronic behaviour. In the case of graphene, however, variations of the lattice constant with respect to graphite have been limited to less than 2.5% due to its well-established high in-plane stiffness. Here, through systematic electronic and lattice structure studies, we report regions where the lattice constant of graphene monolayers grown on copper by chemical vapour deposition increases up to 7.5% of its relaxed value. Density functional theory calculations confirm that this expanded phase is energetically metastable and driven by the enhanced interaction between the substrate and the graphene adlayer. We also prove that this phase possesses distinctive chemical and electronic properties. The inherent phase complexity of graphene grown on copper foils revealed in this study may inspire the investigation of possible metastable phases in other seemingly simple heterostructure systems.

Multiscale global identification of porous structures

NASA Astrophysics Data System (ADS)

Hatłas, Marcin; Beluch, Witold

2018-01-01

The paper is devoted to the evolutionary identification of the material constants of porous structures based on measurements conducted on a macro scale. Numerical homogenization with the RVE concept is used to determine the equivalent properties of a macroscopically homogeneous material. Finite element method software is applied to solve the boundary-value problem in both scales. Global optimization methods in form of evolutionary algorithm are employed to solve the identification task. Modal analysis is performed to collect the data necessary for the identification. A numerical example presenting the effectiveness of proposed attitude is attached.

Photonic band structures in one-dimensional photonic crystals containing Dirac materials

NASA Astrophysics Data System (ADS)

Wang, Lin; Wang, Li-Gang

2015-09-01

We have investigated the band structures of one-dimensional photonic crystals (1DPCs) composed of Dirac materials and ordinary dielectric media. It is found that there exist an omnidirectional passing band and a kind of special band, which result from the interaction of the evanescent and propagating waves. Due to the interface effect and strong dispersion, the electromagnetic fields inside the special bands are strongly enhanced. It is also shown that the properties of these bands are invariant upon the lattice constant but sensitive to the resonant conditions.

In situ calibration of position detection in an optical trap for active microrheology in viscous materials

PubMed Central

Staunton, Jack R.; Blehm, Ben; Devine, Alexus; Tanner, Kandice

2017-01-01

In optical trapping, accurate determination of forces requires calibration of the position sensitivity relating displacements to the detector readout via the V-nm conversion factor (β). Inaccuracies in measured trap stiffness (k) and dependent calculations of forces and material properties occur if β is assumed to be constant in optically heterogeneous materials such as tissue, necessitating calibration at each probe. For solid-like samples in which probes are securely positioned, calibration can be achieved by moving the sample with a nanopositioning stage and stepping the probe through the detection beam. However, this method may be applied to samples only under select circumstances. Here, we introduce a simple method to find β in any material by steering the detection laser beam while the probe is trapped. We demonstrate the approach in the yolk of living Danio rerio (zebrafish) embryos and measure the viscoelastic properties over an order of magnitude of stress-strain amplitude. PMID:29519028

Oxidation Kinetics of Ferritic Alloys in High-Temperature Steam Environments

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

Parker, Stephen S.; White, Josh; Hosemann, Peter

High-temperature isothermal steam oxidation kinetic parameters of several ferritic alloys were determined by thermogravimetric analysis. We measured the oxidation kinetic constant (k) as a function of temperature from 900°C to 1200°C. The results show a marked increase in oxidation resistance compared to reference Zircaloy-2, with kinetic constants 3–5 orders of magnitude lower across the experimental temperature range. Our results of this investigation supplement previous findings on the properties of ferritic alloys for use as candidate cladding materials and extend kinetic parameter measurements to high-temperature steam environments suitable for assessing accident tolerance for light water reactor applications.

Investigation of the Behavior of Hardening Masonry Exposed to Variable Stresses

PubMed Central

Šlivinskas, Tomas; Jonaitis, Bronius; Marčiukaitis, Jonas Gediminas

2018-01-01

This paper analyzes the behavior of masonry under variable loads during execution (construction stage). It specifies the creep coefficient for calcium silicate brick masonry, presenting the research data of masonry deformation under variable and constant long-term loads. The interaction of separate layers of composite material in masonry is introduced and the formulae for determining long-term deformations are offered. The research results of masonry’s compressive strength and deformation properties under variable and constant long-term loads are presented. These are then compared to calculated ones. According to the presented comparison, the calculated long-term deformations coincide quite well with those determined experimentally. PMID:29710802

Investigation of the Behavior of Hardening Masonry Exposed to Variable Stresses.

PubMed

Šlivinskas, Tomas; Jonaitis, Bronius; Marčiukaitis, Jonas Gediminas; Zavalis, Robertas

2018-04-28

This paper analyzes the behavior of masonry under variable loads during execution (construction stage). It specifies the creep coefficient for calcium silicate brick masonry, presenting the research data of masonry deformation under variable and constant long-term loads. The interaction of separate layers of composite material in masonry is introduced and the formulae for determining long-term deformations are offered. The research results of masonry’s compressive strength and deformation properties under variable and constant long-term loads are presented. These are then compared to calculated ones. According to the presented comparison, the calculated long-term deformations coincide quite well with those determined experimentally.

Oxidation Kinetics of Ferritic Alloys in High-Temperature Steam Environments

DOE PAGES

Parker, Stephen S.; White, Josh; Hosemann, Peter; ...

2017-11-03

High-temperature isothermal steam oxidation kinetic parameters of several ferritic alloys were determined by thermogravimetric analysis. We measured the oxidation kinetic constant (k) as a function of temperature from 900°C to 1200°C. The results show a marked increase in oxidation resistance compared to reference Zircaloy-2, with kinetic constants 3–5 orders of magnitude lower across the experimental temperature range. Our results of this investigation supplement previous findings on the properties of ferritic alloys for use as candidate cladding materials and extend kinetic parameter measurements to high-temperature steam environments suitable for assessing accident tolerance for light water reactor applications.

Oxidation Kinetics of Ferritic Alloys in High-Temperature Steam Environments

NASA Astrophysics Data System (ADS)

Parker, Stephen S.; White, Josh; Hosemann, Peter; Nelson, Andrew

2018-02-01

High-temperature isothermal steam oxidation kinetic parameters of several ferritic alloys were determined by thermogravimetric analysis. The oxidation kinetic constant ( k) was measured as a function of temperature from 900°C to 1200°C. The results show a marked increase in oxidation resistance compared to reference Zircaloy-2, with kinetic constants 3-5 orders of magnitude lower across the experimental temperature range. The results of this investigation supplement previous findings on the properties of ferritic alloys for use as candidate cladding materials and extend kinetic parameter measurements to high-temperature steam environments suitable for assessing accident tolerance for light water reactor applications.

Nanocomposites with high thermoelectric figures of merit

NASA Technical Reports Server (NTRS)

Dresselhaus, Mildred (Inventor); Ren, Zhifeng (Inventor); Chen, Gang (Inventor)

2008-01-01

The present invention is generally directed to nanocomposite thermoelectric materials that exhibit enhanced thermoelectric properties. The nanocomposite materials include two or more components, with at least one of the components forming nano-sized structures within the composite material. The components are chosen such that thermal conductivity of the composite is decreased without substantially diminishing the composite's electrical conductivity. Suitable component materials exhibit similar electronic band structures. For example, a band-edge gap between at least one of a conduction band or a valence band of one component material and a corresponding band of the other component material at interfaces between the components can be less than about 5k.sub.BT, wherein k.sub.B is the Boltzman constant and T is an average temperature of said nanocomposite composition.

Nanocomposites with High Thermoelectric Figures of Merit

NASA Technical Reports Server (NTRS)

Chen, Gang (Inventor); Ren, Zhifeng (Inventor); Dresselhaus, Mildred (Inventor)

2015-01-01

The present invention is generally directed to nanocomposite thermoelectric materials that exhibit enhanced thermoelectric properties. The nanocomposite materials include two or more components, with at least one of the components forming nano-sized structures within the composite material. The components are chosen such that thermal conductivity of the composite is decreased without substantially diminishing the composite's electrical conductivity. Suitable component materials exhibit similar electronic band structures. For example, a band-edge gap between at least one of a conduction band or a valence band of one component material and a corresponding band of the other component material at interfaces between the components can be less than about 5k(sub B)T, wherein k(sub B) is the Boltzman constant and T is an average temperature of said nanocomposite composition.

Nanocomposites with high thermoelectric figures of merit

NASA Technical Reports Server (NTRS)

Ren, Zhifeng (Inventor); Chen, Gang (Inventor); Dresselhaus, Mildred (Inventor)

2012-01-01

The present invention is generally directed to nanocomposite thermoelectric materials that exhibit enhanced thermoelectric properties. The nanocomposite materials include two or more components, with at least one of the components forming nano-sized structures within the composite material. The components are chosen such that thermal conductivity of the composite is decreased without substantially diminishing the composite's electrical conductivity. Suitable component materials exhibit similar electronic band structures. For example, a band-edge gap between at least one of a conduction band or a valence band of one component material and a corresponding band of the other component material at interfaces between the components can be less than about 5k.sub.BT, wherein k.sub.B is the Boltzman constant and T is an average temperature of said nanocomposite composition.

Dielectric and acoustical high frequency characterisation of PZT thin films

NASA Astrophysics Data System (ADS)

Conde, Janine; Muralt, Paul

2010-02-01

Pb(Zr, Ti)O3 (PZT) is an interesting material for bulk acoustic wave resonator applications due to its high electromechanical coupling constant, which would enable fabrication of large bandwidth frequency filters. The major challenge of the PZT solid solution system is to overcome mechanical losses generally observed in PZT ceramics. To increase the understanding of these losses in textured thin films, thin film bulk acoustic resonators (TFBAR's) based on PZT thin films with compositions either in the tetragonal region or at the morphotropic phase boundary and (111) or {100} textures were fabricated and studied up to 2 GHz. The dielectric and elastic materials coefficients were extracted from impedance measurements at the resonance frequency. The dispersion of the dielectric constant was obtained from impedance measurements up to 2 GHz. The films with varying compositions, textures and deposition methods (sol-gel or sputtering) were compared in terms of dielectric and acoustical properties.

Intrinsic dielectric properties of magnetodielectric La2CoMnO6

NASA Astrophysics Data System (ADS)

Silva, R. X.; Moreira, R. L.; Almeida, R. M.; Paniago, R.; Paschoal, C. W. A.

2015-06-01

Manganite with a double perovskite structure is an attractive material because of its interesting magnetoelectric and dielectric responses. In particular, colossal dielectric constant (CDC) behavior has been observed in La2CoMnO6 (LCMO) at radio frequencies and at room temperature. In this paper, we used infrared-reflectivity spectroscopy to study a LCMO ceramic obtained through a modified Pechini's method to determine the phonon contribution to the intrinsic dielectric response of the system and to investigate the CDC origin. The analysis of the main polar modes and of the obtained phonon parameters indicate that the CDC effect of LCMO is of pure extrinsic origin. In addition, we estimated the dielectric constant and the quality factor of the material in the microwave region to be ɛ's ˜ 16 and Qu × f ˜ 124 THz, which verifies that LCMO is appropriate for application in microwave devices and circuitry.

A simplified method for elastic-plastic-creep structural analysis

NASA Technical Reports Server (NTRS)

Kaufman, A.

1984-01-01

A simplified inelastic analysis computer program (ANSYPM) was developed for predicting the stress-strain history at the critical location of a thermomechanically cycled structure from an elastic solution. The program uses an iterative and incremental procedure to estimate the plastic strains from the material stress-strain properties and a plasticity hardening model. Creep effects are calculated on the basis of stress relaxation at constant strain, creep at constant stress or a combination of stress relaxation and creep accumulation. The simplified method was exercised on a number of problems involving uniaxial and multiaxial loading, isothermal and nonisothermal conditions, dwell times at various points in the cycles, different materials and kinematic hardening. Good agreement was found between these analytical results and nonlinear finite element solutions for these problems. The simplified analysis program used less than 1 percent of the CPU time required for a nonlinear finite element analysis.

A simplified method for elastic-plastic-creep structural analysis

NASA Technical Reports Server (NTRS)

Kaufman, A.

1985-01-01

A simplified inelastic analysis computer program (ANSYPM) was developed for predicting the stress-strain history at the critical location of a thermomechanically cycled structure from an elastic solution. The program uses an iterative and incremental procedure to estimate the plastic strains from the material stress-strain properties and a plasticity hardening model. Creep effects are calculated on the basis of stress relaxation at constant strain, creep at constant stress or a combination of stress relaxation and creep accumulation. The simplified method was exercised on a number of problems involving uniaxial and multiaxial loading, isothermal and nonisothermal conditions, dwell times at various points in the cycles, different materials and kinematic hardening. Good agreement was found between these analytical results and nonlinear finite element solutions for these problems. The simplified analysis program used less than 1 percent of the CPU time required for a nonlinear finite element analysis.

Characterizing viscoelastic mechanical properties of highly compliant polymers and biological tissues using impact indentation.

PubMed

Mijailovic, Aleksandar S; Qing, Bo; Fortunato, Daniel; Van Vliet, Krystyn J

2018-04-15

Precise and accurate measurement of viscoelastic mechanical properties becomes increasingly challenging as sample stiffness decreases to elastic moduli <1 kPa, largely due to difficulties detecting initial contact with the compliant sample surface. This limitation is particularly relevant to characterization of biological soft tissues and compliant gels. Here, we employ impact indentation which, in contrast to shear rheology and conventional indentation, does not require contact detection a priori, and present a novel method to extract viscoelastic moduli and relaxation time constants directly from the impact response. We first validate our approach by using both impact indentation and shear rheology to characterize polydimethylsiloxane (PDMS) elastomers of stiffness ranging from 100 s of Pa to nearly 10 kPa. Assuming a linear viscoelastic constitutive model for the material, we find that the moduli and relaxation times obtained from fitting the impact response agree well with those obtained from fitting the rheological response. Next, we demonstrate our validated method on hydrated, biological soft tissues obtained from porcine brain, murine liver, and murine heart, and report the equilibrium shear moduli, instantaneous shear moduli, and relaxation time constants for each tissue. Together, our findings provide a new and straightforward approach capable of probing local mechanical properties of highly compliant viscoelastic materials with millimeter scale spatial resolution, mitigating complications involving contact detection or sample geometric constraints. Characterization and optimization of mechanical properties can be essential for the proper function of biomaterials in diverse applications. However, precise and accurate measurement of viscoelastic mechanical properties becomes increasingly difficult with increased compliance (particularly for elastic moduli <1 kPa), largely due to challenges detecting initial contact with the compliant sample surface and measuring response at short timescale or high frequency. By contrast, impact indentation has highly accurate contact detection and can be used to measure short timescale (glassy) response. Here, we demonstrate an experimental and analytical method that confers significant advantages over existing approaches to extract spatially resolved viscoelastic moduli and characteristic time constants of biological tissues (e.g., brain and heart) and engineered biomaterials. Copyright © 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Computational Modeling of Piezoelectric Foams

NASA Astrophysics Data System (ADS)

Challagulla, K. S.; Venkatesh, T. A.

2013-02-01

Piezoelectric materials, by virtue of their unique electromechanical characteristics, have been recognized for their potential utility in many applications as sensors and actuators. However, the sensing or actuating functionality of monolithic piezoelectric materials is generally limited. The composite approach to piezoelectric materials provides a unique opportunity to access a new design space with optimal mechanical and coupled characteristics. The properties of monolithic piezoelectric materials can be enhanced via the additive approach by adding two or more constituents to create several types of piezoelectric composites or via the subtractive approach by introducing controlled porosity in the matrix materials to create porous piezoelectric materials. Such porous piezoelectrics can be tailored to demonstrate improved signal-to-noise ratio, impedance matching, and sensitivity, and thus, they can be optimized for applications such as hydrophone devices. This article captures key results from the recent developments in the field of computational modeling of novel piezoelectric foam structures. It is demonstrated that the fundamental elastic, dielectric, and piezoelectric properties of piezoelectric foam are strongly dependent on the internal structure of the foams and the material volume fraction. The highest piezoelectric coupling constants and the highest acoustic impedance are obtained in the [3-3] interconnect-free piezoelectric foam structures, while the corresponding figures of merit for the [3-1] type long-porous structure are marginally higher. Among the [3-3] type foam structures, the sparsely-packed foam structures (with longer and thicker interconnects) display higher coupling constants and acoustic impedance as compared to closepacked foam structures (with shorter and thinner interconnects). The piezoelectric charge coefficients ( d h), the hydrostatic voltage coefficients ( g h), and the hydrostatic figures of merit ( d hgh) are observed to be significantly higher for the [3-3] type piezoelectric foam structures as compared to the [3-1] type long-porous materials, and these can be enhanced significantly by modifying the aspect ratio of the porosity in the foam structures as well.

Single-mode plasmonic waveguiding properties of metal nanowires with dielectric substrates.

PubMed

Wang, Yipei; Ma, Yaoguang; Guo, Xin; Tong, Limin

2012-08-13

Single-mode plasmonic waveguiding properties of metal nanowires with dielectric substrates are investigated using a finite-element method. Au and Ag are selected as plasmonic materials for nanowire waveguides with diameters down to 5-nm-level. Typical dielectric materials with relatively low to high refractive indices, including magnesium fluoride (MgF2), silica (SiO2), indium tin oxide (ITO) and titanium dioxide (TiO2), are used as supporting substrates. Basic waveguiding properties, including propagation constants, power distributions, effective mode areas, propagation distances and losses are obtained at the typical plasmonic resonance wavelength of 660 nm. Compared to that of a freestanding nanowire, the mode area of a substrate-supported nanowire could be much smaller while maintaining an acceptable propagation length. For example, the mode area and propagation length of a 100-nm-diameter Ag nanowire with a MgF2 substrate are about 0.004 μm2 and 3.4 μm, respectively. The dependences of waveguiding properties on geometric and material parameters of the nanowire-substrate system are also provided. Our results may provide valuable references for waveguiding dielectric-supported metal nanowires for practical applications.

Effect of adjustable molecular chain structure and pure silica zeolite nanoparticles on thermal, mechanical, dielectric, UV-shielding and hydrophobic properties of fluorinated copolyimide composites

NASA Astrophysics Data System (ADS)

Li, Qing; Liao, Guangfu; Zhang, Shulai; Pang, Long; Tong, Hao; Zhao, Wenzhe; Xu, Zushun

2018-01-01

A series of polyimide (PI) films, polyimide/pure silica zeolite nanoparticles (PSZN) blend films and polyimide/amine-functionalized pure silica zeolite nanoparticles (APSZN) composite films were successfully prepared by random copolycondensation. Thereinto, PSZN were synthesized by hydrothermal method. The polyimides were derived from 4,4‧-diaminodiphenyl ether (ODA), and three adjustable molar ratios (3:1, 1:1, 1:3) of 2,2-bis[4-(3,4-dicarboxyphenoxy)phenyl] propane dianhydride (BPADA) and 4,4‧-(hexafluoroisopropylidene) diphthalic anhydride (6FDA). The effects of PSZN, APSZN and different chain structure on PI films were specifically evaluated in terms of morphology, thermal, mechanical, dielectric and UV-shielding properties, etc. Comparison was given among pure PI flims, PI/PSZN blend films and PI/APSZN composite flims. The results showed that the thermal and mechanical properties of PI films were drastically impaired after adding PSZN. On the contrary, the strength, toughness and thermal stability were improved after adding APSZN. Moreover, the dielectric constants of the PI/APSZN composite flims were lowered but UV-shielding properties were enhanced. Interestingly, we found that the greatest effects were obtained through introducing APSZN in PI derived by the 1:1 ratio of BPADA:6FDA. The corresponding PI/APSZN composite flim exhibited the most reinforced and toughened properties, the largest decrement of dielectric constant and the best UV-shielding efficiency, which made the composite flim be used as ultraviolet shielding material in outer space filled with high temperature and intensive ultraviolet light. Meanwhile, this work also provided a facile way to synthesize composite materials with adjustable performance.

Measurements of Electrical and Electron Emission Properties of Highly Insulating Materials

NASA Technical Reports Server (NTRS)

Dennison, J. R.; Brunson, Jerilyn; Hoffman, Ryan; Abbott, Jonathon; Thomson, Clint; Sim, Alec

2005-01-01

Highly insulating materials often acquire significant charges when subjected to fluxes of electrons, ions, or photons. This charge can significantly modify the materials properties of the materials and have profound effects on the functionality of the materials in a variety of applications. These include charging of spacecraft materials due to interactions with the severe space environment, enhanced contamination due to charging in Lunar of Martian environments, high power arching of cables and sources, modification of tethers and ion thrusters for propulsion, and scanning electron microscopy, to name but a few examples. This paper describes new techniques and measurements of the electron emission properties and resistivity of highly insulating materials. Electron yields are a measure of the number of electrons emitted from a material per incident particle (electron, ion or photon). Electron yields depend on incident species, energy and angle, and on the material. They determine the net charge acquired by a material subject to a give incident flu. New pulsed-beam techniques will be described that allow accurate measurement of the yields for uncharged insulators and measurements of how the yields are modified as charge builds up in the insulator. A key parameter in modeling charge dissipation is the resistivity of insulating materials. This determines how charge will accumulate and redistribute across an insulator, as well as the time scale for charge transport and dissipation. Comparison of new long term constant-voltage methods and charge storage methods for measuring resistivity of highly insulating materials will be compared to more commonly used, but less accurate methods.

Evaluation of antimicrobial properties of cork.

PubMed

Gonçalves, Filipa; Correia, Patrícia; Silva, Susana P; Almeida-Aguiar, Cristina

2016-02-01

Cork presents a range of diverse and versatile properties making this material suitable for several and extremely diverse industrial applications. Despite the wide uses of cork, its antimicrobial properties and potential applications have deserved little attention from industry and the scientific community. Thus, the main purpose of this work was the evaluation of the antibacterial properties of cork, by comparison with commercially available antimicrobial materials (Ethylene-Vinyl Acetate copolymer and a currently used antimicrobial commercial additive (ACA)), following the previous development and optimization of a method for such antimicrobial assay. The AATCC 100-2004 standard method, a quantitative procedure developed for the assessment of antimicrobial properties in textile materials, was used as reference and optimized to assess cork antibacterial activity. Cork displayed high antibacterial activity against Staphylococcus aureus, with a bacterial reduction of almost 100% (96.93%) after 90 minutes of incubation, similar to the one obtained with ACA. A more reduced but time-constant antibacterial action was observed against Escherichia coli (36% reduction of the initial number of bacterial colonies). To complement this study, antibacterial activity was further evaluated for a water extract of cork and an MIC of 6 mg mL(-1) was obtained against the reference strain S. aureus. © FEMS 2015. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Competing covalent and ionic bonding in Ge-Sb-Te phase change materials

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

Subedi, Alaska; Siegrist, Theo; Singh, David J.

Ge 2Sb 2Te 5 and related phase change materials are highly unusual in that they can be readily transformed between amorphous and crystalline states using very fast melt, quench, anneal cycles, although the resulting states are extremely long lived at ambient temperature. These states have remarkably different physical properties including very different optical constants in the visible in strong contrast to common glass formers such as silicates or phosphates. This behavior has been described in terms of resonant bonding, but puzzles remain, particularly regarding different physical properties of crystalline and amorphous phases. Here we show that there is a strongmore » competition between ionic and covalent bonding in cubic phase providing a link between the chemical basis of phase change memory property and origins of giant responses of piezoelectric materials (PbTiO 3, BiFeO 3). This has important consequences for dynamical behavior in particular leading to a simultaneous hardening of acoustic modes and softening of high frequency optic modes in crystalline phase relative to amorphous. As a result, this different bonding in amorphous and crystalline phases provides a direct explanation for different physical properties and understanding of the combination of long time stability and rapid switching and may be useful in finding new phase change compositions with superior properties.« less

Competing covalent and ionic bonding in Ge-Sb-Te phase change materials

DOE PAGES

Subedi, Alaska; Siegrist, Theo; Singh, David J.; ...

2016-05-19

Ge 2Sb 2Te 5 and related phase change materials are highly unusual in that they can be readily transformed between amorphous and crystalline states using very fast melt, quench, anneal cycles, although the resulting states are extremely long lived at ambient temperature. These states have remarkably different physical properties including very different optical constants in the visible in strong contrast to common glass formers such as silicates or phosphates. This behavior has been described in terms of resonant bonding, but puzzles remain, particularly regarding different physical properties of crystalline and amorphous phases. Here we show that there is a strongmore » competition between ionic and covalent bonding in cubic phase providing a link between the chemical basis of phase change memory property and origins of giant responses of piezoelectric materials (PbTiO 3, BiFeO 3). This has important consequences for dynamical behavior in particular leading to a simultaneous hardening of acoustic modes and softening of high frequency optic modes in crystalline phase relative to amorphous. As a result, this different bonding in amorphous and crystalline phases provides a direct explanation for different physical properties and understanding of the combination of long time stability and rapid switching and may be useful in finding new phase change compositions with superior properties.« less

Competing covalent and ionic bonding in Ge-Sb-Te phase change materials.

PubMed

Mukhopadhyay, Saikat; Sun, Jifeng; Subedi, Alaska; Siegrist, Theo; Singh, David J

2016-05-19

Ge2Sb2Te5 and related phase change materials are highly unusual in that they can be readily transformed between amorphous and crystalline states using very fast melt, quench, anneal cycles, although the resulting states are extremely long lived at ambient temperature. These states have remarkably different physical properties including very different optical constants in the visible in strong contrast to common glass formers such as silicates or phosphates. This behavior has been described in terms of resonant bonding, but puzzles remain, particularly regarding different physical properties of crystalline and amorphous phases. Here we show that there is a strong competition between ionic and covalent bonding in cubic phase providing a link between the chemical basis of phase change memory property and origins of giant responses of piezoelectric materials (PbTiO3, BiFeO3). This has important consequences for dynamical behavior in particular leading to a simultaneous hardening of acoustic modes and softening of high frequency optic modes in crystalline phase relative to amorphous. This different bonding in amorphous and crystalline phases provides a direct explanation for different physical properties and understanding of the combination of long time stability and rapid switching and may be useful in finding new phase change compositions with superior properties.

A computational modeling approach for the characterization of mechanical properties of 3D alginate tissue scaffolds.

PubMed

Nair, K; Yan, K C; Sun, W

2008-01-01

Scaffold guided tissue engineering is an innovative approach wherein cells are seeded onto biocompatible and biodegradable materials to form 3-dimensional (3D) constructs that, when implanted in the body facilitate the regeneration of tissue. Tissue scaffolds act as artificial extracellular matrix providing the environment conducive for tissue growth. Characterization of scaffold properties is necessary to understand better the underlying processes involved in controlling cell behavior and formation of functional tissue. We report a computational modeling approach to characterize mechanical properties of 3D gellike biomaterial, specifically, 3D alginate scaffold encapsulated with cells. Alginate inherent nonlinearity and variations arising from minute changes in its concentration and viscosity make experimental evaluation of its mechanical properties a challenging and time consuming task. We developed an in silico model to determine the stress-strain relationship of alginate based scaffolds from experimental data. In particular, we compared the Ogden hyperelastic model to other hyperelastic material models and determined that this model was the most suitable to characterize the nonlinear behavior of alginate. We further propose a mathematical model that represents the alginate material constants in Ogden model as a function of concentrations and viscosity. This study demonstrates the model capability to predict mechanical properties of 3D alginate scaffolds.

Analysis of the Impedance Resonance of Piezoelectric Multi-Fiber Composite Stacks

NASA Technical Reports Server (NTRS)

Sherrit, S.; Djrbashian, A.; Bradford, S C

2013-01-01

Multi-Fiber CompositesTM (MFC's) produced by Smart Materials Corp behave essentially like thin planar stacks where each piezoelectric layer is composed of a multitude of fibers. We investigate the suitability of using previously published inversion techniques for the impedance resonances of monolithic co-fired piezoelectric stacks to the MFCTM to determine the complex material constants from the impedance data. The impedance equations examined in this paper are those based on the derivation. The utility of resonance techniques to invert the impedance data to determine the small signal complex material constants are presented for a series of MFC's. The technique was applied to actuators with different geometries and the real coefficients were determined to be similar within changes of the boundary conditions due to change of geometry. The scatter in the imaginary coefficient was found to be larger. The technique was also applied to the same actuator type but manufactured in different batches with some design changes in the non active portion of the actuator and differences in the dielectric and the electromechanical coupling between the two batches were easily measureable. It is interesting to note that strain predicted by small signal impedance analysis is much lower than high field stains. Since the model is based on material properties rather than circuit constants, it could be used for the direct evaluation of specific aging or degradation mechanisms in the actuator as well as batch sorting and adjustment of manufacturing processes.

Study on HDPE Mixed with Sand as Backfilled Material on Retaining Structure

NASA Astrophysics Data System (ADS)

Talib, Z. A.

2018-04-01

The failure of the retaining wall is closely related to backfill material. Granular soils such as sand and gravel are most suitable backfill material because of its drainage properties. However two basic materials are quite heavy and contribute high amount of lateral loads. This study was to determine the effectiveness High Density Polyethylene (HDPE) as a backfill material. HDPE has a lighter weight compare to the sand. It makes HDPE has potential to be used as backfill material. The objective of this study is to identify the most effective percentage of HDPE to replace sand as a backfill material. The percentage of HDPE used in this study was 20%, 30%, 50%, 75% and also 100%. Testing involved in this study were sieve analysis test, constant head permeability test, direct shear test and relative density test. The result shows that the HDPE can be used as backfilled material and save the cost of backfill material

An overview of self-consistent methods for fiber-reinforced composites

NASA Technical Reports Server (NTRS)

Gramoll, Kurt C.; Freed, Alan D.; Walker, Kevin P.

1991-01-01

The Walker et al. (1989) self-consistent method to predict both the elastic and the inelastic effective material properties of composites is examined and compared with the results of other self-consistent and elastically based solutions. The elastic part of their method is shown to be identical to other self-consistent methods for non-dilute reinforced composite materials; they are the Hill (1965), Budiansky (1965), and Nemat-Nasser et al. (1982) derivations. A simplified form of the non-dilute self-consistent method is also derived. The predicted, elastic, effective material properties for fiber reinforced material using the Walker method was found to deviate from the elasticity solution for the v sub 31, K sub 12, and mu sub 31 material properties (fiber is in the 3 direction) especially at the larger volume fractions. Also, the prediction for the transverse shear modulus, mu sub 12, exceeds one of the accepted Hashin bounds. Only the longitudinal elastic modulus E sub 33 agrees with the elasticity solution. The differences between the Walker and the elasticity solutions are primarily due to the assumption used in the derivation of the self-consistent method, i.e., the strain fields in the inclusions and the matrix are assumed to remain constant, which is not a correct assumption for a high concentration of inclusions.

Strongly nonlinear composite dielectrics: A perturbation method for finding the potential field and bulk effective properties

NASA Astrophysics Data System (ADS)

Blumenfeld, Raphael; Bergman, David J.

1991-10-01

A class of strongly nonlinear composite dielectrics is studied. We develop a general method to reduce the scalar-potential-field problem to the solution of a set of linear Poisson-type equations in rescaled coordinates. The method is applicable for a large variety of nonlinear materials. For a power-law relation between the displacement and the electric fields, it is used to solve explicitly for the value of the bulk effective dielectric constant ɛe to second order in the fluctuations of its local value. A simlar procedure for the vector potential, whose curl is the displacement field, yields a quantity analogous to the inverse dielectric constant in linear dielectrics. The bulk effective dielectric constant is given by a set of linear integral expressions in the rescaled coordinates and exact bounds for it are derived.

Bond-strength inversion in (In,Ga)As semiconductor alloys

NASA Astrophysics Data System (ADS)

Eckner, Stefanie; Ritter, Konrad; Schöppe, Philipp; Haubold, Erik; Eckner, Erich; Rensberg, Jura; Röder, Robert; Ridgway, Mark C.; Schnohr, Claudia S.

2018-05-01

The atomic-scale structure and vibrational properties of semiconductor alloys are determined by the energy required for stretching and bending the individual bonds. Using temperature-dependent extended x-ray absorption fine-structure spectroscopy, we have determined the element-specific In-As and Ga-As effective bond-stretching force constants in (In,Ga)As as a function of the alloy composition. The results reveal a striking inversion of the bond strength where the originally stiffer bond in the parent materials becomes the softer bond in the alloy and vice versa. Our findings clearly demonstrate that changes of both the individual bond length and the surrounding matrix affect the bond-stretching force constants. We thus show that the previously used common assumptions about the element-specific force constants in semiconductor alloys do not reproduce the composition dependence determined experimentally for (In,Ga)As.

Hollow glass for insulating layers

NASA Astrophysics Data System (ADS)

Merticaru, Andreea R.; Moagar-Poladian, Gabriel

1999-03-01

Common porous materials, some of which will be considered in the chapters of this book, include concrete, paper, ceramics, clays, porous semiconductors, chromotography materials, and natural materials like coral, bone, sponges, rocks and shells. Porous materials can also be reactive, such as in charcoal gasification, acid rock dissolution, catalyst deactivation and concrete. This study continues the investigations about the properties of, so-called, hollow glass. In this paper is presented a computer simulation approach in which the thermo-mechanical behavior of a 3D microstructure is directly computed. In this paper a computer modeling approach of porous glass is presented. One way to test the accuracy of the reconstructed microstructures is to computed their physical properties and compare to experimental measurement on equivalent systems. In this view, we imagine a new type of porous type of glass designed as buffer layer in multilayered printed boards in ICs. Our glass is a variable material with a variable pore size and surface area. The porosity could be tailored early from the deposition phases that permitting us to keep in a reasonable balance the dielectric constant and thermal conductivity.

First-principles investigation of structural, elastic, lattice dynamical and thermodynamic properties of lithium sulfur under pressure

NASA Astrophysics Data System (ADS)

Saib, S.; Bouarissa, N.

2017-10-01

In this study we report on the influence of hydrostatic pressure on structural, elastic, lattice dynamical and thermal properties of Li2S in the anti-fluorite structure using ab initio pseudopotential approach based on the density functional perturbation theory. Our results are found to be in good agreement with those existing in the literature. The present phonon dispersion spectra, dielectric constants and Born effective charges may be seen as the first investigation for the material under load. The pressure dependence of all features of interest has been examined and discussed. Besides, the temperature dependence of the lattice parameter and bulk modulus is predicted. The generalized elastic stability criteria showed that the material of interest is mechanically unstable for pressures beyond 55 GPa.

Frequency-Selective Surface to Determine Permittivity of Industrial Oil and Effect of Nanoparticle Addition in X-Band

NASA Astrophysics Data System (ADS)

Jafari, Fereshteh Sadat; Ahmadi-Shokouh, Javad

2018-02-01

A frequency-selective surface (FSS) structure is proposed for characterization of the permittivity of industrial oil using a transmission/reflection (TR) measurement scheme in the X-band. Moreover, a parameter study is presented to distinguish the dielectric constant and loss characteristics of test materials. To model the loss empirically, we used CuO nanoparticles artificially mixed with an industrial oil. In this study, the resonant frequency of the FSS is the basic parameter used to determine the material characteristics, including resonance properties such as the magnitude of transmission ( S 21), bandwidth, and frequency shift. The results reveal that the proposed FSS structure and setup can act well as a sensor for characterization of the dielectric properties of industrial oil.

Thermal and Electrical Characterization of Alumina Substrate for Microelectronic Applications

NASA Astrophysics Data System (ADS)

Ahmad, S.; Ibrahim, A.; Alias, R.; Shapee, S. M.; Ambak, Z.; Zakaria, S. Z.; Yahya, M. R.; Mat, A. F. A.

2010-03-01

This paper reports the effect of sintering temperature on thermal and electrical properties of alumina material as substrate for microelectronic devices. Alumina materials in the form of green sheet with 1 mm thickness were sintered at 1100° C, 1300° C and 1500° C for about 20 hours using heating and cooling rates of 2° C/min. The densities were measured using densitometer and the microstructures of the samples were analyzed using SEM micrographs. Meanwhile thermal and electrical properties of the samples were measured using flash method and impedance analyzer respectively. It was found that thermal conductivity and thermal diffusivity of the substrate increases as sintering temperature increases. It was found also that the dielectric constant of alumina substrate increases as the sintering temperature increases.

Development of a size reduction equation for woody biomass: The influence of branch wood properties on Rittinger's constant

DOE PAGES

Naimi, Ladan J.; Sokhansanj, Shahabaddine; Bi, Xiaotao; ...

2015-11-25

Size reduction is an essential but energy-intensive process for preparing biomass for conversion processes. Three well-known scaling equations (Bond, Kick, and Rittinger) are used to estimate energy input for grinding minerals and food particles. Previous studies have shown that the Rittinger equation has the best fit to predict energy input for grinding cellulosic biomass. In the Rittinger equation, Rittinger's constant (k R) is independent of the size of ground particles, yet we noted large variations in k R among similar particle size ranges. In this research, the dependence of k R on the physical structure and chemical composition of amore » number of woody materials was explored. Branches from two softwood species (Douglas fir and pine) and two hardwood species (aspen and poplar) were ground in a laboratory knife mill. The recorded data included power input, mass flow rate, and particle size before and after grinding. Nine material properties were determined: particle density, solid density (pycnometer and x-ray diffraction methods), microfibril angle, fiber coarseness, fiber length, and composition (lignin and cellulose glucan contents). The correlation matrix among the nine properties revealed high degrees of interdependence between properties. The k R value had the largest positive correlation (+0.60) with particle porosity across the species tested. As a result, particle density was strongly correlated with lignin content (0.85), microfibril angle (0.71), fiber length (0.87), and fiber coarseness (0.78). An empirical model relating k R to particle density was developed.« less

Development of a size reduction equation for woody biomass: The influence of branch wood properties on Rittinger's constant

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

Naimi, Ladan J.; Sokhansanj, Shahabaddine; Bi, Xiaotao

Size reduction is an essential but energy-intensive process for preparing biomass for conversion processes. Three well-known scaling equations (Bond, Kick, and Rittinger) are used to estimate energy input for grinding minerals and food particles. Previous studies have shown that the Rittinger equation has the best fit to predict energy input for grinding cellulosic biomass. In the Rittinger equation, Rittinger's constant (k R) is independent of the size of ground particles, yet we noted large variations in k R among similar particle size ranges. In this research, the dependence of k R on the physical structure and chemical composition of amore » number of woody materials was explored. Branches from two softwood species (Douglas fir and pine) and two hardwood species (aspen and poplar) were ground in a laboratory knife mill. The recorded data included power input, mass flow rate, and particle size before and after grinding. Nine material properties were determined: particle density, solid density (pycnometer and x-ray diffraction methods), microfibril angle, fiber coarseness, fiber length, and composition (lignin and cellulose glucan contents). The correlation matrix among the nine properties revealed high degrees of interdependence between properties. The k R value had the largest positive correlation (+0.60) with particle porosity across the species tested. As a result, particle density was strongly correlated with lignin content (0.85), microfibril angle (0.71), fiber length (0.87), and fiber coarseness (0.78). An empirical model relating k R to particle density was developed.« less

Near-infrared radiation absorption properties of covellite (CuS) using first-principles calculations

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

Xiao, Lihua, E-mail: xiaolihua@git.edu.cn; College of Physics and Information Science, Hunan Normal University, Changsha 410081; Guizhou Special Functional Materials 2011 Collaborative Innovation Center, Guizhou Institute of Technology, Guiyang 550003

2016-08-15

First-principles density functional theory was used to investigate the electronic structure, optical properties and the origin of the near-infrared (NIR) absorption of covellite (CuS). The calculated lattice constant and optical properties are found to be in reasonable agreement with experimental and theoretical findings. The electronic structure reveals that the valence and conduction bands of covellite are determined by the Cu 3d and S 3p states. By analyzing its optical properties, we can fully understand the potential of covellite (CuS) as a NIR absorbing material. Our results show that covellite (CuS) exhibits NIR absorption due to its metal-like plasma oscillation inmore » the NIR range.« less

Mechanical property determination of high conductivity metals and alloys

NASA Technical Reports Server (NTRS)

Harrod, D. L.; Vandergrift, E.; France, L.

1973-01-01

Pertinent mechanical properties of three high conductivity metals and alloys; namely, vacuum hot pressed grade S-200E beryllium, OFHC copper and beryllium-copper alloy no. 10 were determined. These materials were selected based on their possible use in rocket thrust chamber and nozzle hardware. They were procured in a form and condition similar to that which might be ordered for actual hardware fabrication. The mechanical properties measured include (1) tension and compression stress strain curves at constant strain rate (2) tensile and compressive creep, (3) tensile and compressive stress-relaxation behavior and (4) elastic properties. Tests were conducted over the temperature range of from 75 F to 1600 F. The resulting data is presented in both graphical and tabular form.

Energy transfer mechanism and optoelectronic properties of (PFO/TiO2)/Fluorol 7GA nanocomposite thin films

NASA Astrophysics Data System (ADS)

Al-Asbahi, Bandar Ali

2017-10-01

Energy transfer between poly (9,9'-di-n-octylfluorenyl-2,7-diyl) (PFO) as a donor in presence of TiO2 nanoparticles (NPs) and Fluorol 7GA as an acceptor with different weight ratios has been investigated by steady-state emission measurements. Based on the absorption and fluorescence measurements, the energy transfer properties, such as quenching rate constant (kSV), energy transfer rate constant (kET), quantum yield (ϕDA), and lifetime (τDA), of the donor in the presence of the acceptor, energy transfer probability (PDA), energy transfer efficiency (η), energy transfer time (τET), and critical distance of the energy transfer (Ro) were calculated. Förster-type energy transfer between the excited donor and ground-state acceptor molecules was the dominant mechanism responsible for the energy transfer as evidenced by large values of kSV, kET, and Ro. Moreover, these composite materials were employed as an emissive layer in organic light-emitting diodes (OLEDs). Additionally, the optoelectronic properties of OLEDs were investigated in terms of current density-voltage characteristics and electroluminescence spectra.

Nanogeochemistry: Size-dependent mineral-fluid interface chemistry

NASA Astrophysics Data System (ADS)

Wang, Y.

2012-12-01

Nanostructures and nanometer mineral phases, both widely present in geologic materials, can potentially affect many geochemical processes. It is known that at nanometer scales a material tends to exhibit chemical properties distinct from the corresponding bulk phase. Understanding of this size-dependent property change will help us to bridge the existing knowledge gap between the molecular level understanding and the macro-scale laboratory/field observations of a geochemical process. In this presentation, I will review of the recent progresses in nanoscience and provide a perspective on how these progresses can potentially impact geochemical studies. My presentation will be focused the following areas: (1) the characterization of nanostructures in natural systems, (2) the study of fluids and chemical species in nanoconfinement, (3) the effects of nanopores on geochemical reaction and mass transfers, and (4) the use nanostructured materials for environmental management. I will demonstrate that the nanopore confinement can significantly modify geochemical reactions in porous geologic media. As the pore size is reduced to a few nanometers, the difference between surface acidity constants of a mineral (pK2 - pK1) decreases, giving rise to a higher surface charge density on a nanopore surface than that on an unconfined mineral-water interface. The change in surface acidity constants results in a shift of ion sorption edges and enhances ion sorption on nanopore surfaces. This effect causes preferential enrichment of trace elements in nanopores. I will then discuss the implications of this emergent nanometer-scale property to radionuclide transport and carbon dioxide storage in geologic media. This work was performed at Sandia National Laboratories, which is a multiprogram laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the DOE under contract DE-AC04-94AL8500.

Determination of Hamaker constants of polymeric nanoparticles in organic solvents by asymmetrical flow field-flow fractionation.

PubMed

Noskov, Sergey; Scherer, Christian; Maskos, Michael

2013-01-25

Interaction forces between all objects are either of repulsive or attractive nature. Concerning attractive interactions, the determination of dispersion forces are of special interest since they appear in all colloidal systems and have a crucial influence on the properties and processes in these systems. One possibility to link theory and experiment is the description of the London-Van der Waals forces in terms of the Hamaker constant, which leads to the challenging problem of calculating the van der Waals interaction energies between colloidal particles. Hence, the determination of a Hamaker constant for a given material is needed when interfacial phenomena such as adhesion are discussed in terms of the total potential energy between particles and substrates. In this work, the asymmetrical flow field-flow fractionation (AF-FFF) in combination with a Newton algorithm based iteration process was used for the determination of Hamaker constants of different nanoparticles in toluene. Copyright © 2012 Elsevier B.V. All rights reserved.

Supramolecular motifs in dynamic covalent PEG-hemiaminal organogels

PubMed Central

Fox, Courtney H.; ter Hurrne, Gijs M.; Wojtecki, Rudy J.; Jones, Gavin O.; Horn, Hans W.; Meijer, E. W.; Frank, Curtis W.; Hedrick, James L.; García, Jeannette M.

2015-01-01

Dynamic covalent materials are stable materials that possess reversible behaviour triggered by stimuli such as light, redox conditions or temperature; whereas supramolecular crosslinks depend on the equilibrium constant and relative concentrations of crosslinks as a function of temperature. The combination of these two reversible chemistries can allow access to materials with unique properties. Here, we show that this combination of dynamic covalent and supramolecular chemistry can be used to prepare organogels comprising distinct networks. Two materials containing hemiaminal crosslink junctions were synthesized; one material is comprised of dynamic covalent junctions and the other contains hydrogen-bonding bis-hemiaminal moieties. Under specific network synthesis conditions, these materials exhibited self-healing behaviour. This work reports on both the molecular-level detail of hemiaminal crosslink junction formation as well as the macroscopic behaviour of hemiaminal dynamic covalent network (HDCN) elastomeric organogels. These materials have potential applications as elastomeric components in printable materials, cargo carriers and adhesives. PMID:26174864

An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library

NASA Astrophysics Data System (ADS)

Plata, Jose J.; Nath, Pinku; Usanmaz, Demet; Carrete, Jesús; Toher, Cormac; de Jong, Maarten; Asta, Mark; Fornari, Marco; Nardelli, Marco Buongiorno; Curtarolo, Stefano

2017-10-01

One of the most accurate approaches for calculating lattice thermal conductivity, , is solving the Boltzmann transport equation starting from third-order anharmonic force constants. In addition to the underlying approximations of ab-initio parameterization, two main challenges are associated with this path: high computational costs and lack of automation in the frameworks using this methodology, which affect the discovery rate of novel materials with ad-hoc properties. Here, the Automatic Anharmonic Phonon Library (AAPL) is presented. It efficiently computes interatomic force constants by making effective use of crystal symmetry analysis, it solves the Boltzmann transport equation to obtain , and allows a fully integrated operation with minimum user intervention, a rational addition to the current high-throughput accelerated materials development framework AFLOW. An "experiment vs. theory" study of the approach is shown, comparing accuracy and speed with respect to other available packages, and for materials characterized by strong electron localization and correlation. Combining AAPL with the pseudo-hybrid functional ACBN0 is possible to improve accuracy without increasing computational requirements.

Improved dielectric constant and breakdown strength of γ-phase dominant super toughened polyvinylidene fluoride/TiO2 nanocomposite film: an excellent material for energy storage applications and piezoelectric throughput

NASA Astrophysics Data System (ADS)

Mehebub Alam, Md; Ghosh, Sujoy Kumar; Sarkar, Debabrata; Sen, Shrabanee; Mandal, Dipankar

2017-01-01

Titanium dioxide (TiO2) nanoparticles (NPs) embedded γ-phase containing polyvinylidene fluoride (PVDF) nanocomposite (PNC) film turns to an excellent material for energy storage application due to an increased dielectric constant (32 at 1 kHz), enhanced electric breakdown strength (400 MV m-1). It also exhibits a high energy density of 4 J cm-3 which is 25 times higher than that of virgin PVDF. 98% of the electroactive γ-phase has been acheived by the incorporation of TiO2 NPs and the resulting PNC behaves like a super-toughened material due to a dramatic improvement (more than 80%) in the tensile strength. Owing to their electroactive nature and extraordinary mechanical properties, PNC films have a strong ability to fabricate the piezoelectric nanogenerators (PNGs) that have recently been an area of focus regarding mechanical energy harvesting. The feasibility of piezoelectric voltage generation from PNGs is demostrated under the rotating fan that also promises further utility such as rotational speed (RPM) determination.

High-quality photonic crystals with a nearly complete band gap obtained by direct inversion of woodpile templates with titanium dioxide.

PubMed

Marichy, Catherine; Muller, Nicolas; Froufe-Pérez, Luis S; Scheffold, Frank

2016-02-25

Photonic crystal materials are based on a periodic modulation of the dielectric constant on length scales comparable to the wavelength of light. These materials can exhibit photonic band gaps; frequency regions for which the propagation of electromagnetic radiation is forbidden due to the depletion of the density of states. In order to exhibit a full band gap, 3D PCs must present a threshold refractive index contrast that depends on the crystal structure. In the case of the so-called woodpile photonic crystals this threshold is comparably low, approximately 1.9 for the direct structure. Therefore direct or inverted woodpiles made of high refractive index materials like silicon, germanium or titanium dioxide are sought after. Here we show that, by combining multiphoton lithography and atomic layer deposition, we can achieve a direct inversion of polymer templates into TiO2 based photonic crystals. The obtained structures show remarkable optical properties in the near-infrared region with almost perfect specular reflectance, a transmission dip close to the detection limit and a Bragg length comparable to the lattice constant.

Concepts for smart nanocomposite materials

NASA Astrophysics Data System (ADS)

Pammi, SriLaxmi; Brown, Courtney; Datta, Saurabh; Kirikera, Goutham R.; Schulz, Mark J.

2003-10-01

This paper explores concepts for new smart materials that have extraordinary properties based on nanotechnology. Carbon and boron nitride nanotubes in theory can be used to manufacture fibers that have piezoelectric, pyroelectric, piezoresistive, and electrochemical field properties. Smart nanocomposites designed using these fibers will sense and respond to elastic, thermal, and chemical fields in a positive human-like way to improve the performance of structures, devices, and possibly humans. Remarkable strength, morphing, cooling, energy harvesting, strain and temperature sensing, chemical sensing and filtering, and high natural frequencies and damping will be the properties of these new materials. Synthesis of these unique atomically precise nanotubes, fibers, and nanocomposites is at present challenging and expensive, however, there is the possibility that we can synthesize the strongest and lightest actuators and most efficient sensors man has ever made. A particular advantage of nanotube transducers is their very high load bearing capability. Carbon nanotube electrochemical actuators have a predicted energy density at low frequencies that is thirty times greater than typical piezoceramic materials while boron nitride nanotubes are insulators and can operate at high temperatures, but they have a predicted piezoelectric induced stress constant that is about twenty times smaller than piezoceramic materials. Carbon nanotube fibers and composites exhibit a change in electrical conductivity due to strain that can be used for sensing. Some concepts for nanocomposite material sensors are presented and initial efforts to fabricate carbon nanocomposite load sensors are discussed.

High-k 3D-barium titanate foam/phenolphthalein poly(ether sulfone)/cyanate ester composites with frequency-stable dielectric properties and extremely low dielectric loss under reduced concentration of ceramics

NASA Astrophysics Data System (ADS)

Zheng, Longhui; Yuan, Li; Guan, Qingbao; Liang, Guozheng; Gu, Aijuan

2018-01-01

Higher dielectric constant, lower dielectric loss and better frequency stability have been the developing trends for high dielectric constant (high-k) materials. Herein, new composites have been developed through building unique structure by using hyperbranched polysiloxane modified 3D-barium titanate foam (BTF) (BTF@HSi) as the functional fillers and phenolphthalein poly(ether sulfone) (cPES)/cyanate ester (CE) blend as the resin matrix. For BTF@HSi/cPES/CE composite with 34.1 vol% BTF, its dielectric constant at 100 Hz is as high as 162 and dielectric loss is only 0.007; moreover, the dielectric properties of BTF@HSi/cPES/CE composites exhibit excellent frequency stability. To reveal the mechanism behind these attractive performances of BTF@HSi/cPES/CE composites, three kinds of composites (BTF/CE, BTF/cPES/CE, BTF@HSi/CE) were prepared, their structure and integrated performances were intensively investigated and compared with those of BTF@HSi/cPES/CE composites. Results show that the surface modification of BTF is good for preparing composites with improved thermal stability; while introducing flexible cPES to CE is beneficial to fabricate composites with good quality through effectively blocking cracks caused by the stress concentration, and then endowing the composites with good dielectric properties at reduced concentration of ceramics.

A test method for determining adhesion forces and Hamaker constants of cementitious materials using atomic force microscopy

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

Lomboy, Gilson; Sundararajan, Sriram, E-mail: srirams@iastate.edu; Wang Kejin

2011-11-15

A method for determining Hamaker constant of cementitious materials is presented. The method involved sample preparation, measurement of adhesion force between the tested material and a silicon nitride probe using atomic force microscopy in dry air and in water, and calculating the Hamaker constant using appropriate contact mechanics models. The work of adhesion and Hamaker constant were computed from the pull-off forces using the Johnson-Kendall-Roberts and Derjagin-Muller-Toropov models. Reference materials with known Hamaker constants (mica, silica, calcite) and commercially available cementitious materials (Portland cement (PC), ground granulated blast furnace slag (GGBFS)) were studied. The Hamaker constants of the reference materialsmore » obtained are consistent with those published by previous researchers. The results indicate that PC has a higher Hamaker constant than GGBFS. The Hamaker constant of PC in water is close to the previously predicted value C{sub 3}S, which is attributed to short hydration time ({<=} 45 min) used in this study.« less

How to characterize a nonlinear elastic material? A review on nonlinear constitutive parameters in isotropic finite elasticity

PubMed Central

2017-01-01

The mechanical response of a homogeneous isotropic linearly elastic material can be fully characterized by two physical constants, the Young’s modulus and the Poisson’s ratio, which can be derived by simple tensile experiments. Any other linear elastic parameter can be obtained from these two constants. By contrast, the physical responses of nonlinear elastic materials are generally described by parameters which are scalar functions of the deformation, and their particular choice is not always clear. Here, we review in a unified theoretical framework several nonlinear constitutive parameters, including the stretch modulus, the shear modulus and the Poisson function, that are defined for homogeneous isotropic hyperelastic materials and are measurable under axial or shear experimental tests. These parameters represent changes in the material properties as the deformation progresses, and can be identified with their linear equivalent when the deformations are small. Universal relations between certain of these parameters are further established, and then used to quantify nonlinear elastic responses in several hyperelastic models for rubber, soft tissue and foams. The general parameters identified here can also be viewed as a flexible basis for coupling elastic responses in multi-scale processes, where an open challenge is the transfer of meaningful information between scales. PMID:29225507

CMUTs with high-K atomic layer deposition dielectric material insulation layer.

PubMed

Xu, Toby; Tekes, Coskun; Degertekin, F

2014-12-01

Use of high-κ dielectric, atomic layer deposition (ALD) materials as an insulation layer material for capacitive micromachined ultrasonic transducers (CMUTs) is investigated. The effect of insulation layer material and thickness on CMUT performance is evaluated using a simple parallel plate model. The model shows that both high dielectric constant and the electrical breakdown strength are important for the dielectric material, and significant performance improvement can be achieved, especially as the vacuum gap thickness is reduced. In particular, ALD hafnium oxide (HfO2) is evaluated and used as an improvement over plasma-enhanced chemical vapor deposition (PECVD) silicon nitride (Six)Ny)) for CMUTs fabricated by a low-temperature, complementary metal oxide semiconductor transistor-compatible, sacrificial release method. Relevant properties of ALD HfO2) such as dielectric constant and breakdown strength are characterized to further guide CMUT design. Experiments are performed on parallel fabricated test CMUTs with 50-nm gap and 16.5-MHz center frequency to measure and compare pressure output and receive sensitivity for 200-nm PECVD Six)Ny) and 100-nm HfO2) insulation layers. Results for this particular design show a 6-dB improvement in receiver output with the collapse voltage reduced by one-half; while in transmit mode, half the input voltage is needed to achieve the same maximum output pressure.

Effect of UV curing time on physical and electrical properties and reliability of low dielectric constant materials

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

Kao, Kai-Chieh; Cheng, Yi-Lung, E-mail: yjcheng@ncnu.edu.tw; Chang, Wei-Yuan

2014-11-01

This study comprehensively investigates the effect of ultraviolet (UV) curing time on the physical, electrical, and reliability characteristics of porous low-k materials. Following UV irradiation for various periods, the depth profiles of the chemical composition in the low-k dielectrics were homogeneous. Initially, the UV curing process preferentially removed porogen-related CH{sub x} groups and then modified Si-CH{sub 3} and cage Si-O bonds to form network Si-O bonds. The lowest dielectric constant (k value) was thus obtained at a UV curing time of 300 s. Additionally, UV irradiation made porogen-based low-k materials hydrophobic and to an extent that increased with UV curing time.more » With a short curing time (<300 s), porogen was not completely removed and the residues degraded reliability performance. A long curing time (>300 s) was associated with improved mechanical strength, electrical performance, and reliability of the low-k materials, but none of these increased linearly with UV curing time. Therefore, UV curing is necessary, but the process time must be optimized for porous low-k materials on back-end of line integration in 45 nm or below technology nodes.« less

Micromechanical combined stress analysis: MICSTRAN, a user manual

NASA Technical Reports Server (NTRS)

Naik, R. A.

1992-01-01

Composite materials are currently being used in aerospace and other applications. The ability to tailor the composite properties by the appropriate selection of its constituents, the fiber and matrix, is a major advantage of composite materials. The Micromechanical Combined Stress Analysis (MICSTRAN) code provides the materials engineer with a user-friendly personal computer (PC) based tool to calculate overall composite properties given the constituent fiber and matrix properties. To assess the ability of the composite to carry structural loads, the materials engineer also needs to calculate the internal stresses in the composite material. MICSTRAN is a simple tool to calculate such internal stresses with a composite ply under combined thermomechanical loading. It assumes that the fibers have a circular cross-section and are arranged either in a repeating square or diamond array pattern within a ply. It uses a classical elasticity solution technique that has been demonstrated to calculate accurate stress results. Input to the program consists of transversely isotropic fiber properties and isotropic matrix properties such as moduli, Poisson's ratios, coefficients of thermal expansion, and volume fraction. Output consists of overall thermoelastic constants and stresses. Stresses can be computed under the combined action of thermal, transverse, longitudinal, transverse shear, and longitudinal shear loadings. Stress output can be requested along the fiber-matrix interface, the model boundaries, circular arcs, or at user-specified points located anywhere in the model. The MICSTRAN program is Windows compatible and takes advantage of the Microsoft Windows graphical user interface which facilitates multitasking and extends memory access far beyond the limits imposed by the DOS operating system.

Modeling micromechanical measurements of depth-varying properties with scanning acoustic microscopy

NASA Astrophysics Data System (ADS)

Marangos, Orestes; Misra, Anil

2018-02-01

Scanning acoustic microscopy (SAM) has been applied to measure the near-surface elastic properties of materials. For many substrates, the near-surface property is not constant but varies with depth. In this paper, we aim to interpret the SAM data from such substrates by modeling the interaction of the focused ultrasonic field with a substrate having a near-surface graded layer. The focused ultrasonic field solutions were represented as spherical harmonic expansions while the substrate solutions were represented as plane wave expansions. The bridging of the two solutions was achieved through the decomposition of the ultrasonic pressure fields in their angular spectra. Parametric studies were performed, which showed that near-surface graded layers exhibit distinctive frequency dependence of their reflectance functions. This behavior is characteristic to the material property gradation profile as well as the extent of the property gradation. The developed model was used to explain the frequency-dependent reflection coefficients measured from an acid-etched dentin substrate. Based on the model calculations, the elastic property variations of the acid-etched dentin near-surface indicate that the topmost part of the etched layer is very soft (3-6 GPa) and transitions to the native dentin through a depth of 27 and 36 microns.

Effect of Material Composition and Environmental Condition on Thermal Characteristics of Conductive Asphalt Concrete.

PubMed

Pan, Pan; Wu, Shaopeng; Hu, Xiaodi; Liu, Gang; Li, Bo

2017-02-23

Conductive asphalt concrete with high thermal conductivity has been proposed to improve the solar energy collection and snow melting efficiencies of asphalt solar collector (ASC). This paper aims to provide some insight into choosing the basic materials for preparation of conductive asphalt concrete, as well as determining the evolution of thermal characteristics affected by environmental factors. The thermal properties of conductive asphalt concrete were studied by the Thermal Constants Analyzer. Experimental results showed that aggregate and conductive filler have a significant effect on the thermal properties of asphalt concrete, while the effect of asphalt binder was not evident due to its low proportion. Utilization of mineral aggregate and conductive filler with higher thermal conductivity is an efficient method to prepare conductive asphalt concrete. Moreover, change in thermal properties of asphalt concrete under different temperature and moisture conditions should be taken into account to determine the actual thermal properties of asphalt concrete. There was no noticeable difference in thermal properties of asphalt concrete before and after aging. Furthermore, freezing-thawing cycles strongly affect the thermal properties of conductive asphalt concrete, due to volume expansion and bonding degradation.

Effect of Material Composition and Environmental Condition on Thermal Characteristics of Conductive Asphalt Concrete

PubMed Central

Pan, Pan; Wu, Shaopeng; Hu, Xiaodi; Liu, Gang; Li, Bo

2017-01-01

Conductive asphalt concrete with high thermal conductivity has been proposed to improve the solar energy collection and snow melting efficiencies of asphalt solar collector (ASC). This paper aims to provide some insight into choosing the basic materials for preparation of conductive asphalt concrete, as well as determining the evolution of thermal characteristics affected by environmental factors. The thermal properties of conductive asphalt concrete were studied by the Thermal Constants Analyzer. Experimental results showed that aggregate and conductive filler have a significant effect on the thermal properties of asphalt concrete, while the effect of asphalt binder was not evident due to its low proportion. Utilization of mineral aggregate and conductive filler with higher thermal conductivity is an efficient method to prepare conductive asphalt concrete. Moreover, change in thermal properties of asphalt concrete under different temperature and moisture conditions should be taken into account to determine the actual thermal properties of asphalt concrete. There was no noticeable difference in thermal properties of asphalt concrete before and after aging. Furthermore, freezing–thawing cycles strongly affect the thermal properties of conductive asphalt concrete, due to volume expansion and bonding degradation. PMID:28772580

Investigations on Sm- and Nb-SUBSTITUTED PZT Ceramics

NASA Astrophysics Data System (ADS)

Prakash, Chandra; Juneja, J. K.

In the present paper, we report the effect of Samarium substitution and Niobium doping on the properties of a PZT(52:48). The properties studied are: structural, dielectric and ferroelectric. The samples with chemical formula Pb0.99Sm0.01Zr0.52Ti0.48O3 were prepared by solid-state dry ceramic method. Small amount (0.5 wt%) of Nb2O5 was also added. X-ray diffraction (XRD) analysis showed formation of a single phase with tetragonal structure. Dielectric properties were studied as a function of temperature and frequency. Transition temperature, Tc, was determined from dielectric constant versus temperature plot. The material shows well-defined ferroelectric (PE) hysteresis loop.

Growth and characterization of pure and Cadmium chloride doped KDP Crystals grown by gel medium

NASA Astrophysics Data System (ADS)

Kalaivani, M. S.; Asaithambi, T.

2016-10-01

Crystal growth technology provides an important basis for many industrial branches. Crystals are the unrecognized pillars of modern technology. Without crystals, there is no electronic industry, no photonic industry, and no fiber optic communications. Single crystals play a major role and form the strongest base for the fast growing field of engineering, science and technology. Crystal growth is an interdisciplinary subject covering physics, chemistry, material science, chemical engineering, metallurgy, crystallography, mineralogy, etc. In past few decades, there has been a keen interest on crystal growth processes, particularly in view of the increasing demand of materials for technological applications. Optically good quality pure and metal doped KDP crystals have been grown by gel method at room temperature and their characterization have been studied. Gel method is a much uncomplicated method and can be utilized to synthesize crystals which are having low solubility. Potassium dihydrogen orthophosphate KH2PO4 (KDP) continues to be an interesting material both academically and industrially. KDP is a representative of hydrogen bonded materials which possess very good electro - optic and nonlinear optical properties in addition to interesting electrical properties. Due to this interesting properties, we made an attempt to grow pure and cadmium chloride doped KDP crystals in various concentrations (0.002, 0.004, 0.006, 0.008 and 0.010) using gel method. The grown crystals were collected after 20 days. We get crystals with good quality and shaped. The dc electrical conductivity (resistance, capacitance and dielectric constant) values were measured at frequencies in the range of 1 KHZ and 100 HZ of pure and cadmium chloride added crystal with a temperature range of 400C to 1300C using simple two probe setup with Q band digital LCR meter present in our lab. The electrical conductivity increases with increase of temperature. The dielectric constants of metal doped KDP crystals were slightly decreased compared to pure KDP crystals.

Precision controlled atomic resolution scanning transmission electron microscopy using spiral scan pathways

NASA Astrophysics Data System (ADS)

Sang, Xiahan; Lupini, Andrew R.; Ding, Jilai; Kalinin, Sergei V.; Jesse, Stephen; Unocic, Raymond R.

2017-03-01

Atomic-resolution imaging in an aberration-corrected scanning transmission electron microscope (STEM) can enable direct correlation between atomic structure and materials functionality. The fast and precise control of the STEM probe is, however, challenging because the true beam location deviates from the assigned location depending on the properties of the deflectors. To reduce these deviations, i.e. image distortions, we use spiral scanning paths, allowing precise control of a sub-Å sized electron probe within an aberration-corrected STEM. Although spiral scanning avoids the sudden changes in the beam location (fly-back distortion) present in conventional raster scans, it is not distortion-free. “Archimedean” spirals, with a constant angular frequency within each scan, are used to determine the characteristic response at different frequencies. We then show that such characteristic functions can be used to correct image distortions present in more complicated constant linear velocity spirals, where the frequency varies within each scan. Through the combined application of constant linear velocity scanning and beam path corrections, spiral scan images are shown to exhibit less scan distortion than conventional raster scan images. The methodology presented here will be useful for in situ STEM imaging at higher temporal resolution and for imaging beam sensitive materials.

Precision controlled atomic resolution scanning transmission electron microscopy using spiral scan pathways.

PubMed

Sang, Xiahan; Lupini, Andrew R; Ding, Jilai; Kalinin, Sergei V; Jesse, Stephen; Unocic, Raymond R

2017-03-08

Atomic-resolution imaging in an aberration-corrected scanning transmission electron microscope (STEM) can enable direct correlation between atomic structure and materials functionality. The fast and precise control of the STEM probe is, however, challenging because the true beam location deviates from the assigned location depending on the properties of the deflectors. To reduce these deviations, i.e. image distortions, we use spiral scanning paths, allowing precise control of a sub-Å sized electron probe within an aberration-corrected STEM. Although spiral scanning avoids the sudden changes in the beam location (fly-back distortion) present in conventional raster scans, it is not distortion-free. "Archimedean" spirals, with a constant angular frequency within each scan, are used to determine the characteristic response at different frequencies. We then show that such characteristic functions can be used to correct image distortions present in more complicated constant linear velocity spirals, where the frequency varies within each scan. Through the combined application of constant linear velocity scanning and beam path corrections, spiral scan images are shown to exhibit less scan distortion than conventional raster scan images. The methodology presented here will be useful for in situ STEM imaging at higher temporal resolution and for imaging beam sensitive materials.

Fabrication of barium titanate doped strontium using co-precipitation method

NASA Astrophysics Data System (ADS)

Iriani, Y.; Yasin, M. A.; Suryana, R.

2018-03-01

Fabrication of barium titanate (BaTiO3/BT) doped strontium (Sr) using co-precipitation method has been successfully conducted. The research aim is to get the best of mole variation of Sr doping to ferroelectric material properties. Doping Sr was varied at 1%, 2%, 3%, 4% and 5% in BaTiO3. Each sample was sintered at temperature of 1100°C with holding time for 6 h and temperature rate at 10°C/min. They were then characterized by XRD instrument to investigate the crystal structure, LCR meter to measure the dielectric constant, and Sawyer Tower circuit to reveal the hysteresis curve. The peaks of XRD shift towards larger angle when mole doping Sr increase. The crystallinity of all samples is above 90% and the crystallite size is in the range of 27 nm to 34 nm. Hysteresis curve from Sawyer Tower testing confirms that all samples are ferroelectric material. The RLC measurement results reveal that the less frequency leads to the higher dielectric constant while the highest dielectric constant belongs to the BT doped 3% of Sr. Therefore, it is the best variation obtained in this research.

Finite Element Modeling of Passive Material Influence on the Deformation and Force Output of Skeletal Muscle

PubMed Central

Hodgson, John A.; Chi, Sheng-Wei; Yang, Judy P.; Chen, Jiun-Shyan; Edgerton, V. Reggie; Sinha, Shantanu

2014-01-01

The pattern of deformation of the different structural components of a muscle-tendon complex when it is activated provides important information about the internal mechanics of the muscle. Recent experimental observations of deformations in contracting muscle have presented inconsistencies with current widely held assumption about muscle behavior. These include negative strain in aponeuroses, non-uniform strain changes in sarcomeres, even of individual muscle fibers and evidence that muscle fiber cross sectional deformations are asymmetrical suggesting a need to readjust current models of contracting muscle. We report here our use of finite element modeling techniques to simulate a simple muscle-tendon complex and investigate the influence of passive intramuscular material properties upon the deformation patterns under isometric and shortening conditions. While phenomenological force-displacement relationships described the muscle fiber properties, the material properties of the passive matrix were varied to simulate a hydrostatic model, compliant and stiff isotropically hyperelastic models and an anisotropic elastic model. The numerical results demonstrate that passive elastic material properties significantly influence the magnitude, heterogeneity and distribution pattern of many measures of deformation in a contracting muscle. Measures included aponeurosis strain, aponeurosis separation, muscle fiber strain and fiber cross-sectional deformation. The force output of our simulations was strongly influenced by passive material properties, changing by as much as ~80% under some conditions. Maximum output was accomplished by introducing anisotropy along axes which were not strained significantly during a muscle length change, suggesting that correct costamere orientation may be a critical factor in optimal muscle function. Such a model not only fits known physiological data, but also maintains the relatively constant aponeurosis separation observed during in vivo muscle contractions and is easily extrapolated from our plane-strain conditions into a 3-dimensional structure. Such modeling approaches have the potential of explaining the reduction of force output consequent to changes in material properties of intramuscular materials arising in the diseased state such as in genetic disorders. PMID:22498294

Finite element modeling of passive material influence on the deformation and force output of skeletal muscle.

PubMed

Hodgson, John A; Chi, Sheng-Wei; Yang, Judy P; Chen, Jiun-Shyan; Edgerton, Victor R; Sinha, Shantanu

2012-05-01

The pattern of deformation of different structural components of a muscle-tendon complex when it is activated provides important information about the internal mechanics of the muscle. Recent experimental observations of deformations in contracting muscle have presented inconsistencies with current widely held assumption about muscle behavior. These include negative strain in aponeuroses, non-uniform strain changes in sarcomeres, even of individual muscle fibers and evidence that muscle fiber cross sectional deformations are asymmetrical suggesting a need to readjust current models of contracting muscle. We report here our use of finite element modeling techniques to simulate a simple muscle-tendon complex and investigate the influence of passive intramuscular material properties upon the deformation patterns under isometric and shortening conditions. While phenomenological force-displacement relationships described the muscle fiber properties, the material properties of the passive matrix were varied to simulate a hydrostatic model, compliant and stiff isotropically hyperelastic models and an anisotropic elastic model. The numerical results demonstrate that passive elastic material properties significantly influence the magnitude, heterogeneity and distribution pattern of many measures of deformation in a contracting muscle. Measures included aponeurosis strain, aponeurosis separation, muscle fiber strain and fiber cross-sectional deformation. The force output of our simulations was strongly influenced by passive material properties, changing by as much as ~80% under some conditions. The maximum output was accomplished by introducing anisotropy along axes which were not strained significantly during a muscle length change, suggesting that correct costamere orientation may be a critical factor in the optimal muscle function. Such a model not only fits known physiological data, but also maintains the relatively constant aponeurosis separation observed during in vivo muscle contractions and is easily extrapolated from our plane-strain conditions into a three-dimensional structure. Such modeling approaches have the potential of explaining the reduction of force output consequent to changes in material properties of intramuscular materials arising in the diseased state such as in genetic disorders. Copyright © 2012 Elsevier Ltd. All rights reserved.

Materials Characterization at Utah State University: Facilities and Knowledge-base of Electronic Properties of Materials Applicable to Spacecraft Charging

NASA Technical Reports Server (NTRS)

Dennison, J. R.; Thomson, C. D.; Kite, J.; Zavyalov, V.; Corbridge, Jodie

2004-01-01

In an effort to improve the reliability and versatility of spacecraft charging models designed to assist spacecraft designers in accommodating and mitigating the harmful effects of charging on spacecraft, the NASA Space Environments and Effects (SEE) Program has funded development of facilities at Utah State University for the measurement of the electronic properties of both conducting and insulating spacecraft materials. We present here an overview of our instrumentation and capabilities, which are particularly well suited to study electron emission as related to spacecraft charging. These measurements include electron-induced secondary and backscattered yields, spectra, and angular resolved measurements as a function of incident energy, species and angle, plus investigations of ion-induced electron yields, photoelectron yields, sample charging and dielectric breakdown. Extensive surface science characterization capabilities are also available to fully characterize the samples in situ. Our measurements for a wide array of conducting and insulating spacecraft materials have been incorporated into the SEE Charge Collector Knowledge-base as a Database of Electronic Properties of Materials Applicable to Spacecraft Charging. This Database provides an extensive compilation of electronic properties, together with parameterization of these properties in a format that can be easily used with existing spacecraft charging engineering tools and with next generation plasma, charging, and radiation models. Tabulated properties in the Database include: electron-induced secondary electron yield, backscattered yield and emitted electron spectra; He, Ar and Xe ion-induced electron yields and emitted electron spectra; photoyield and solar emittance spectra; and materials characterization including reflectivity, dielectric constant, resistivity, arcing, optical microscopy images, scanning electron micrographs, scanning tunneling microscopy images, and Auger electron spectra. Further details of the instrumentation used for insulator measurements and representative measurements of insulating spacecraft materials are provided in other Spacecraft Charging Conference presentations. The NASA Space Environments and Effects Program, the Air Force Office of Scientific Research, the Boeing Corporation, NASA Graduate Research Fellowships, and the NASA Rocky Mountain Space Grant Consortium have provided support.

Structural and electromagnetic characterization of Co-Mn doped Ni-Sn ferrites fabricated via micro-emulsion route

NASA Astrophysics Data System (ADS)

Ali, Rajjab; Azhar Khan, Muhammad; Manzoor, Alina; Shahid, Muhammad; Farooq Warsi, Muhammad

2017-11-01

Ni0.5Sn0.5CoxMnxFe2-2xO4 ferrites with x = 0.0-0.8 have been prepared by the micro-emulsion method, using CTAB as a surfactant material. X-ray diffraction (XRD), Fourier transformed infrared spectroscopy (FTIR) and vibrational sample magnetometer (VSM) were used to investigate the effects of Co and Mn substitutions on cationic distribution, crystallite size, lattice constant, spectral, magnetic and dielectric properties. Lattice constant and crystallite size were found to increase from 7.4 to 9.25 Å and from 11.8 to 19.7 nm respectively with increasing substitution of Co and Mn ions. Saturation magnetization (MS) gradually increased from 20.5 to 47.6 emu/g with increase in the value of x. However, Coercivity increased from 152.7 to 462.4 Oe up to x = 0.4 and then it decreased thereafter. The dielectric constant, complex dielectric constant and tan loss (tanδ) were observed to decrease with increase in frequency, depicting the semiconductor behavior of the ferrites. Dc resistivity was observed to decrease considerably upon addition of Co and Mn content. The outcome for the tunable magnetic properties and achieved modification of the synthesized nanocrystallites may be chosen for tremendous applications; such as miniaturized memory devices that are based on the energy storage principles and capacitive components.

Hot tube method for the measuring of thermophysical properties of materials

NASA Astrophysics Data System (ADS)

Dieška, Peter; Boháč, Vlastimil; Vretenár, Viliam

2017-07-01

The measurement of thermal properties of materials that do not keep the form is problematic, because usually, the basic condition of the most models predicts constant dimensions. The plastic materials like clay or loam in natural condition always contain some water and thus are viscous and squeeze out of specimen holder when clamped even at weak force produced by specimen holder. Thus, the specimen dimensions are changing in during the measurement when it is not placed in a solid container. Even at this arrangement the shrinkage of material at the measurements causes the lowering the specimen thickness when using two probe method like pulse transient technique. This effect problem could be lowered or neglected at single probe techniques like the planar hot disk or this newly derived hot tube method. Hot tube method is derived for the probe made as the rectangular plane bended around the solid cylinder or tube made of thermally low conducting material. The probe generates the heat and the rate of temperature rise in it is driven by heat transfer ability of the measured surrounding material. Such a probe should be used in laboratory as well as in the field conditions.

High temperature thermo-physical properties of SPS-ed W-Cu functional gradient materials

NASA Astrophysics Data System (ADS)

Galatanu, Magdalena; Enculescu, Monica; Galatanu, Andrei

2018-02-01

The divertor of a fusion reactor like DEMO requires materials able to withstand high heat fluxes and neutron irradiation for several years. For the water cooling concept of this essential part of the reactor, the most likely plasma facing material will be W, while the heatsink material considered is CuCrZr or an improved version of such a Cu-based alloy. To realize W-Cu alloy joints able to withstand thousands of thermal cycles can be difficult due to the difference between the thermal expansion coefficients of these materials. In this work we investigate the possibility to realize such joints by using W-Cu functional gradient materials (FGMs) produced from nanometric and micrometric metallic powders mixtures and consolidated by spark plasma sintering at about 900 °C. Morphological and thermal properties investigations, performed for typical compositions, shows that the best results are obtained using powders with micrometric dimensions. A resulting 1 mm thick, 3 layers W-Cu FGM produced by this simple method shows a remarkable almost constant thermal conductivity value of 200 W m-1 K-1, from room temperature up to 1000 °C.

Density measurements as a condition monitoring approach for following the aging of nuclear power plant cable materials

NASA Astrophysics Data System (ADS)

Gillen, K. T.; Celina, M.; Clough, R. L.

1999-10-01

Monitoring changes in material density has been suggested as a potentially useful condition monitoring (CM) method for following the aging of cable jacket and insulation materials in nuclear power plants. In this study, we compare density measurements and ultimate tensile elongation results versus aging time for most of the important generic types of commercial nuclear power plant cable materials. Aging conditions, which include thermal-only, as well as combined radiation plus thermal, were chosen such that potentially anomalous effects caused by diffusion-limited oxidation (DLO) are unimportant. The results show that easily measurable density increases occur in most important cable materials. For some materials and environments, the density change occurs at a fairly constant rate throughout the mechanical property lifetime. For cases involving so-called induction-time behavior, density increases are slow to moderate until after the induction time, at which point they begin to increase dramatically. In other instances, density increases rapidly at first, then slows down. The results offer strong evidence that density measurements, which reflect property changes under both radiation and thermal conditions, could represent a very useful CM approach.

The effect of additive geometry on the integration of secondary elements during Friction Stir Processing

NASA Astrophysics Data System (ADS)

Zens, A.; Gnedel, M.; Zaeh, M. F.; Haider, F.

2018-06-01

Friction Stir Processing (FSP) can be used to locally modify properties in materials such as aluminium. This may be used, for example, to produce a fine microstructure or to integrate secondary elements into the base material. The purpose of this work is to examine the effect of the properties of the metal additives on the resulting material distribution in the processed region. For this, commercially pure iron and copper were integrated into an EN AW-1050 aluminium base material using FSP. Iron in the form of powder, wire and foil as well as copper in powder form were assessed. The various additive forms represent materials with differing surface-to-volume ratios as well as varying dispersion characteristics in the processing zone. The processing parameters for each additive form remained constant; however, two- and four-pass FSP processes were conducted. The results of CT analysis proved especially insightful regarding the spatial distribution of the various additive form within the workpiece. As expected, the powder additive was most widely distributed within the welding zone. Micro-hardness mappings showed that the powder additive contributed to the hardness within the weld nugget in comparison to the processed material without secondary elements.

Nonempirical range-separated hybrid functionals for solids and molecules

DOE PAGES

Skone, Jonathan H.; Govoni, Marco; Galli, Giulia

2016-06-03

Dielectric-dependent hybrid (DDH) functionals were recently shown to yield accurate energy gaps and dielectric constants for a wide variety of solids, at a computational cost considerably less than that of GW calculations. The fraction of exact exchange included in the definition of DDH functionals depends (self-consistently) on the dielectric constant of the material. Here we introduce a range-separated (RS) version of DDH functionals where short and long-range components are matched using system dependent, non-empirical parameters. We show that RS DDHs yield accurate electronic properties of inorganic and organic solids, including energy gaps and absolute ionization potentials. Moreover, we show thatmore » these functionals may be generalized to finite systems.« less

Effect of surface moisture on dielectric behavior of ultrafine BaTiO3 particulates.

NASA Technical Reports Server (NTRS)

Mountvala, A. J.

1971-01-01

The effects of adsorbed H2O on the dielectric properties of ultrafine BaTiO3 particulates of varying particle size and environmental history were determined. The dielectric behavior depends strongly on surface hydration. No particle size dependence of dielectric constant was found for dehydroxylated surfaces in ultrafine particulate (unsintered) BaTiO3 materials. For equivalent particle sizes, the ac conductivity is sensitive to surface morphology. Reactions with H2O vapor appear to account for the variations in dielectric properties. Surface dehydration was effectively accomplished by washing as-received powders in isopropanol.

Crystal growth, structure analysis and characterisation of 2 - (1, 3 - dioxoisoindolin - 2 - yl) acetic acid single crystal

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

Sankari, R. Siva, E-mail: sivasankari.sh@act.edu.in; Perumal, Rajesh Narayana

2014-04-24

Single crystal of dielectric material 2 - (1, 3 - dioxoisoindolin - 2 - yl) acetic acid has been grown by slow evaporation solution growth method. The grown crystal was harvested in 25 days. The crystal structure was analyzed by Single crystal X - ray diffraction. UV-vis-NIR analysis was performed to examine the optical property of the grown crystal. The thermal property of the grown crystal was studied by thermogravimetric analysis (TGA) and differential thermal analysis (DTA). The dielectric measurements were carried out and the dielectric constant was calculated and plotted at all frequencies.

Structural and electronic properties of half-metallic rare-earth perovskites

NASA Astrophysics Data System (ADS)

Khandy, Shakeel Ahmad; Islam, Ishtihadah; Bhat, Tahir Mohiuddin; Yousuf, Saleem; Gupta, Dinesh C.

2018-05-01

Systemic investigation of structural parameters and electronic properties inclusive of band profiles for BaPaO3 and BaUO3 have been performed. The empirical as well as DFT calculated lattice constants are in agreement with the previously reported results. The critical energy values confirm that the BaPaO3 has lesser migration energy than BaUO3. Both, these materials show a semiconducting, direct band gap in the low spin state with 2.3 eV for BaUO3 and for BaPaO3, its value is 3.9 eV.

Electrical applications of CVD diamond films

NASA Astrophysics Data System (ADS)

Fujimori, Naoji

Electronics applications of CVD diamond films are reported. The properties of epitaxial diamond films are affected by the orientation of the substrate and the deposition conditions. Boron-doped epitaxial films are found to have the same characteristics as natural IIb diamonds. An LED and an FET were successfully fabricated using boron-doped epitaxial films and Schottky junctions. However, these devices did not exhibit satisfactory properties. Other applications of CVD diamond films include speaker diaphragms (as both a thin-film coating and a free-standing film), and as an ideal packaging material (due to its high thermal conductivity and low dielectric constant).

Molecular dynamics insight to phase transition in n-alkanes with carbon nanofillers

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

Rastogi, Monisha; Vaish, Rahul, E-mail: rahul@iitmandi.ac.in; Materials Research Centre, Indian Institute of Science, Bangalore 560 012

2015-05-15

The present work aims to investigate the phase transition, dispersion and diffusion behavior of nanocomposites of carbon nanotube (CNT) and straight chain alkanes. These materials are potential candidates for organic phase change materials(PCMs) and have attracted flurry of research recently. Accurate experimental evaluation of the mass, thermal and transport properties of such composites is both difficult as well as economically taxing. Additionally it is crucial to understand the factors that results in modification or enhancement of their characteristic at atomic or molecular level. Classical molecular dynamics approach has been extended to elucidate the same. Bulk atomistic models have been generatedmore » and subjected to rigorous multistage equilibration. To reaffirm the approach, both canonical and constant-temperature, constant- pressure ensembles were employed to simulate the models under consideration. Explicit determination of kinetic, potential, non-bond and total energy assisted in understanding the enhanced thermal and transport property of the nanocomposites from molecular point of view. Crucial parameters including mean square displacement and simulated self diffusion coefficient precisely define the balance of the thermodynamic and hydrodynamic interactions. Radial distribution function also reflected the density variation, strength and mobility of the nanocomposites. It is expected that CNT functionalization could improve the dispersion within n-alkane matrix. This would further ameliorate the mass and thermal properties of the composite. Additionally, the determined density was in good agreement with experimental data. Thus, molecular dynamics can be utilized as a high throughput technique for theoretical investigation of nanocomposites PCMs.« less

An investigation of the optical constants and band gap of chromium disilicide

NASA Technical Reports Server (NTRS)

Bost, M. C.; Mahan, John E.

1988-01-01

Optical properties of polycrystalline thin films of CrSi2 grown by the diffusion couple method on silicon substrates were investigated. An analysis of the energy dependence of the absorption coefficient indicates that the material is an indirect forbidden gap semiconductor with a band-gap value of slightly less than 0.35 eV. This result was confirmed by measurements of the temperature dependence of the intrinsic conductivity. The value of the bandgap corresponds well to an important window of transparency in the earth's atmosphere (3-5 microns), which makes the material of potential interest for IR detector applications.

Electrical and Mechanical Performance of Carbon Fiber-Reinforced Polymer Used as the Impressed Current Anode Material.

PubMed

Zhu, Ji-Hua; Zhu, Miaochang; Han, Ningxu; Liu, Wei; Xing, Feng

2014-07-24

An investigation was performed by using carbon fiber-reinforced polymer (CFRP) as the anode material in the impressed current cathodic protection (ICCP) system of steel reinforced concrete structures. The service life and performance of CFRP were investigated in simulated ICCP systems with various configurations. Constant current densities were maintained during the tests. No significant degradation in electrical and mechanical properties was found for CFRP subjected to anodic polarization with the selected applied current densities. The service life of the CFRP-based ICCP system was discussed based on the practical reinforced concrete structure layout.

The psychomechanics of simulated sound sources: Material properties of impacted bars

NASA Astrophysics Data System (ADS)

McAdams, Stephen; Chaigne, Antoine; Roussarie, Vincent

2004-03-01

Sound can convey information about the materials composing an object that are often not directly available to the visual system. Material and geometric properties of synthesized impacted bars with a tube resonator were varied, their perceptual structure was inferred from multidimensional scaling of dissimilarity judgments, and the psychophysical relations between the two were quantified. Constant cross-section bars varying in mass density and viscoelastic damping coefficient were synthesized with a physical model in experiment 1. A two-dimensional perceptual space resulted, and the dimensions were correlated with the mechanical parameters after applying a power-law transformation. Variable cross-section bars varying in length and viscoelastic damping coefficient were synthesized in experiment 2 with two sets of lengths creating high- and low-pitched bars. In the low-pitched bars, there was a coupling between the bar and the resonator that modified the decay characteristics. Perceptual dimensions again corresponded to the mechanical parameters. A set of potential temporal, spectral, and spectrotemporal correlates of the auditory representation were derived from the signal. The dimensions related to mass density and bar length were correlated with the frequency of the lowest partial and are related to pitch perception. The correlate most likely to represent the viscoelastic damping coefficient across all three stimulus sets is a linear combination of a decay constant derived from the temporal envelope and the spectral center of gravity derived from a cochlear representation of the signal. These results attest to the perceptual salience of energy-loss phenomena in sound source behavior.

Synthesis and characterization of (Bi{sub 0.5}Ba{sub 0.5}) (Fe{sub 0.5}Ti{sub 0.5}) O{sub 3} ceramic

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

Parida, B.N., E-mail: bichitra_mama@rediffmail.com; Das, Piyush R., E-mail: prdas63@gmail.com; Padhee, R.

2015-01-15

Graphical abstract: Temperature variation of (a) dielectric constant (b) dielectric loss of the sample. - Highlights: • The high values of dielectric permittivity and low value of tangent loss. • It used for microwave applications. • The impedance and dielectric relaxation in the material is non exponential and non Debye-type. • Its ac conductivity obeys Jonscher universal power law. - Abstract: The polycrystalline sample of (Bi{sub 0.5}Ba{sub 0.5}) (Fe{sub 0.5}Ti{sub 0.5}) O{sub 3} (BF–BT) was prepared by a standard mixed oxide method. Analysis of room temperature XRD pattern and Raman/FTIR spectra of the compound does not exhibit any change inmore » its crystal structure of BaTiO{sub 3} on addition of BiFeO{sub 3} in equal ratio. The surface morphology of the gold-plated sintered pellet sample recorded by SEM (scanning electron microscope) exhibits a uniform distribution of grains with less porosity. Detailed studies of nature and quantity of variation of dielectric constant, tangent loss, and polarization with temperature and frequency indicate the existence of ferroelectric phase transition at high-temperature. There is a low-temperature anti-ferromagnetic phase transition below 375 °C in the material. Detailed studies of electrical properties (impedance, modulus, etc.) of the material confirmed a strong correlation between micro-structure and properties.« less

Dielectric elastomer for stretchable sensors: influence of the design and material properties

NASA Astrophysics Data System (ADS)

Jean-Mistral, C.; Iglesias, S.; Pruvost, S.; Duchet-Rumeau, J.; Chesné, S.

2016-04-01

Dielectric elastomers exhibit extended capabilities as flexible sensors for the detection of load distributions, pressure or huge deformations. Tracking the human movements of the fingers or the arms could be useful for the reconstruction of sporting gesture, or to control a human-like robot. Proposing new measurements methods are addressed in a number of publications leading to improving the sensitivity and accuracy of the sensing method. Generally, the associated modelling remains simple (RC or RC transmission line). The material parameters are considered constant or having a negligible effect which can lead to serious reduction of accuracy. Comparisons between measurements and modelling require care and skill, and could be tricky. Thus, we propose here a comprehensive modelling, taking into account the influence of the material properties on the performances of the dielectric elastomer sensor (DES). Various parameters influencing the characteristics of the sensors have been identified: dielectric constant, hyper-elasticity. The variations of these parameters as a function of the strain impact the linearity and sensitivity of the sensor of few percent. The sensitivity of the DES is also evaluated changing geometrical parameters (initial thickness) and its design (rectangular and dog-bone shapes). We discuss the impact of the shape regarding stress. Finally, DES including a silicone elastomer sandwiched between two high conductive stretchable electrodes, were manufactured and investigated. Classic and reliable LCR measurements are detailed. Experimental results validate our numerical model of large strain sensor (>50%).

Room temperature shear properties of the strain isolator pad for the shuttle thermal protection system

NASA Technical Reports Server (NTRS)

Sawyer, J. W.; Waters, W. A., Jr.

1981-01-01

Tests were conducted at room temperature to determine the shear properties of the strain isolator pad (SIP) material used in the thermal protection system of the space shuttle. Tests were conducted on both the .23 cm and .41 cm thick SIP material in the virgin state and after fifty fully reversed shear cycles. The shear stress displacement relationships are highly nonlinear, exhibit large hysteresis effects, are dependent on material orientation, and have a large low modulus region near the zero stress level where small changes in stress can result in large displacements. The values at the higher stress levels generally increase with normal and shear force load conditioning. Normal forces applied during the shear tests reduces the low modulus region for the material. Shear test techniques which restrict the normal movement of the material give erroneous stress displacement results. However, small normal forces do not significantly effect the shear modulus for a given shear stress. Poisson's ratio values for the material are within the range of values for many common materials. The values are not constant but vary as a function of the stress level and the previous stress history of the material. Ultimate shear strengths of the .23 cm thick SIP are significantly higher than those obtained for the .41 cm thick SIP.

Mechanical characterization of a short fiber-reinforced polymer at room temperature: experimental setups evaluated by an optical measurement system

NASA Astrophysics Data System (ADS)

Röhrig, C.; Scheffer, T.; Diebels, S.

2017-09-01

Composite materials are of great interest for industrial applications because of their outstanding properties. Each composite material has its own characteristics due to the large number of possible combinations of matrix and filler. As a result of their compounding, composites usually show a complex material behavior. This work is focused on the experimental testing of a short fiber-reinforced thermoplastic composite at room temperature. The characteristic behavior of this material class is often based on a superposition of typical material effects. The predicted characteristic material properties such as elasto-plasticity, damage and anisotropy of the investigated material are obtained from results of cyclic uniaxial tensile tests at constant strain rate. Concerning the manufacturing process as well as industrial applications, the experimental investigations are extended to multiaxial loading situations. Therefore, the composite material is examined with a setup close to a deep-drawing process, the Nakajima test (Nakazima et al. in Study on the formability of steel sheets. Yawate Technical Report No. 264, pp 8517-8530, 1968). The evaluation of the experimental investigations is provided by an optical analysis system using a digital image correlation software. Finally, based on the results of the uniaxial tensile tests, a one-dimensional macroscopic model is introduced and first results of the simulation are provided.

Measuring Electrostatic Discharge

NASA Technical Reports Server (NTRS)

Smith, William C.

1987-01-01

Apparatus measures electrostatic-discharge properties of several materials at once. Allows samples charged either by friction or by exposure to corona. By testing several samples simultaneously, apparatus eliminates errors introduced by variations among test conditions. Samples spaced so they pass at intervals under either of two retractable arms. Samples are 2 inches wide along circular path. Arm tips and voltmeter probe are 6 inches from turntable center. Servocontrolled turntable speed constant within 0.1 percent.

Strain Gradient Solution for the Eshelby-Type Polyhedral Inclusion Problem

DTIC Science & Technology

2012-01-01

2011 Available online 6 November 2011 Keywords: Eshelby tensor Polyhedral inclusion Size effect Eigenstrain Strain gradient a b s t r a c t The Eshelby...material containing an ellipsoidal inclusion prescribed with a uniform eigenstrain is a milestone in micromechanics. The solution for the dynamic Eshelby...strain to the prescribed uniform eigenstrain , is constant inside the inclusion. However, this property is true only for ellipsoidal inclusions (and when

In-Fiber Magneto-Optic Devices Based on Ultrahigh Verdet Constant Organic Materials and Holey Fibers

DTIC Science & Technology

2009-02-02

protocols and a noise equivalent magnetic field sensitivity of ~ 100 pT/ VHz has been demonstrated. • Magneto-optic properties of magnetite - PMMA composite...nanoparticle - PMMA nanocomposite. We have used both transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM) to...we expect to enhance it in our devices by their proper symmetrization as described above. Passive Poking core ^^ direction Magnetic AA

Thermal/Mechanical Response and Damage Growth in Polymeric Composites at Cryogenic Temperatures

NASA Technical Reports Server (NTRS)

Whitley, Karen S.; Gates, Thomas S.

2002-01-01

In order to increase the reliability of the next generation of space transportation systems, the mechanical behavior of polymeric matrix composite (PMC) materials at cryogenic temperatures must be investigated. This paper presents experimental data on the residual mechanical properties of a carbon fiber polymeric composite, IM7/PETI-5 both before and after aging at cryogenic temperatures. Tension modulus and strength were measured at room temperature, -196 C, and -269 C on five different specimen ply lay-ups, [0](sub 12), [90](sub 12), [+/-45](sub 3S), [+/-25](sub 3s) and [45,90(sub 3),-45,0(sub 3),-45,90(sub 3),45]. Specimens were preconditioned with one set of coupons being isothermally aged for 555 hours at -184 C in an unloaded state. Another set of corresponding coupons were mounted in constant displacement fixtures such that a constant uniaxial strain was applied to the specimens for 555 hours at -184 C. The measured lamina level properties indicated that cryogenic temperatures have an appreciable influence on behavior, and residual stress calculations based on lamination theory showed that the transverse tensile ply stresses could be quite high for cryogenic test temperatures. Microscopic examination of the surface morphology showed evidence of degradation along the exposed edges of the material due to aging at cryogenic temperatures.

Thermal/Mechanical Durability of Polymer-Matrix Composites in Cryogenic Environments

NASA Technical Reports Server (NTRS)

Gates, Thomas S.; Whitley, Karen S.; Grenoble, Ray W.; Bandorawalla, Tozer

2003-01-01

In order to increase the reliability of the next generation of space transportation systems, the mechanical behavior of polymeric-matrix composite (PMC) materials at cryogenic temperatures must be investigated. This paper presents experimental data on the residual mechanical properties of a carbon fiber polymeric composite, IM7/PETI-5 as a function of temperature and aging. Tension modulus and strength were measured at room temperature, -196 C, and -269 C on five different specimens ply lay-ups. Specimens were preconditioned with one set of coupons being isothermally aged for 576 hours at -184 C, in an unloaded state. Another set of corresponding coupons were mounted in constant strain fixtures such that a constant uniaxial strain was applied to the specimens for 576 hours at -184 C. A third set was mechanically cycled in tension at -184 C. The measured properties indicated that temperature, aging, and loading mode can all have significant influence on performance. Moreover, this influence is a strong function of laminate stacking sequence. Thermal-stress calculations based on lamination theory predicted that the transverse tensile ply stresses could be quite high for cryogenic test temperatures. Microscopic examination of the surface morphology showed evidence of degradation along the exposed edges of the material because of aging at cryogenic temperatures. ________________

Empirical Method to Estimate Hydrogen Embrittlement of Metals as a Function of Hydrogen Gas Pressure at Constant Temperature

NASA Technical Reports Server (NTRS)

Lee, Jonathan A.

2010-01-01

High pressure Hydrogen (H) gas has been known to have a deleterious effect on the mechanical properties of certain metals, particularly, the notched tensile strength, fracture toughness and ductility. The ratio of these properties in Hydrogen as compared to Helium or Air is called the Hydrogen Environment Embrittlement (HEE) Index, which is a useful method to classify the severity of H embrittlement and to aid in the material screening and selection for safety usage H gas environment. A comprehensive world-wide database compilation, in the past 50 years, has shown that the HEE index is mostly collected at two conveniently high H pressure points of 5 ksi and 10 ksi near room temperature. Since H embrittlement is directly related to pressure, the lack of HEE index at other pressure points has posed a technical problem for the designers to select appropriate materials at a specific H pressure for various applications in aerospace, alternate and renewable energy sectors for an emerging hydrogen economy. Based on the Power-Law mathematical relationship, an empirical method to accurately predict the HEE index, as a function of H pressure at constant temperature, is presented with a brief review on Sievert's law for gas-metal absorption.

Microstructure and dielectric properties of silver-barium titanate nanocomplex materials by wet chemical approach

NASA Astrophysics Data System (ADS)

Ueno, Shintaro; Sakamoto, Yasunao; Nakashima, Kouichi; Wada, Satoshi

2014-09-01

To develop ceramic capacitors with a high effective dielectric constant, we attempted to fabricate BaTiO3 (BT) complexes with embedded Ag nanoparticles by wet chemical processes. Ag nanoparticle-adsorbed dendritic BT particles, Ag-BT hybrid particles, were synthesized from the sol-gel-derived precursor gel powders containing Ag, Ba, and Ti by hydrothermal treatment. These particles were pressed with BT fillers and TiO2 precursor nanoparticles into green compacts, and then, the green compacts were chemically converted into the Ag/BT nanocomplex compacts in Ba(OH)2 aqueous solution under the hydrothermal condition at 160 °C. The effective dielectric constant of the resultant Ag/BT nanocomplexes increases with an increase in Ag content. The maximal effective dielectric constant of approximately 900 was recorded for the nanocomplex with the Ag content of 10.7 vol %.

The proton dissociation constant of additive effect on self-assembly of poly(3-hexyl-thiophene) for organic solar cells

NASA Astrophysics Data System (ADS)

Wang, Po-Hsun; Lee, Hsu-Feng; Huang, Yi-Chiang; Jung, Yi-Jiun; Gong, Fang-Lin; Huang, Wen-Yao

2014-07-01

In the decision on the pros and cons of the optical and electrical properties of organic solar cells, the morphology has proven to be very important. Easy to change the morphology via adding a small amount of additive, because proton dissociation constant is the main reason for their application. In this study, the use of poly(3-hexylthiophene) and [6,6]-phenyl C 61-butyric acid methyl ester as the donor and acceptor materials, and were subsequently doped with different quantity of 4,4'-sulfonyldiphenol, 4,4'-dihydroxybiphenyl, biphenyl-4,4'-dithiol. When the proton dissociation constant is higher and lower respectively, the morphology reveals earthworms-like and fiber-like. For the reason that when the additive is biphenyl-4,4'-dithiol, it can improve the power conversion efficiency of about 27% and the incident photon-to-current conversion efficiency of about 12%.

Dielectric-constant gas thermometry

NASA Astrophysics Data System (ADS)

Gaiser, Christof; Zandt, Thorsten; Fellmuth, Bernd

2015-10-01

The principles, techniques and results from dielectric-constant gas thermometry (DCGT) are reviewed. Primary DCGT with helium has been used for measuring T-T90 below the triple point of water (TPW), where T is the thermodynamic temperature and T90 is the temperature on the international temperature scale of 1990 (ITS-90), and, in an inverse regime with T as input quantity, for determining the Boltzmann constant at the TPW. Furthermore, DCGT allows the determination of several important material properties including the polarizability of neon and argon as well as the virial coefficients of helium, neon, and argon. With interpolating DCGT (IDCGT), the ITS-90 has been approximated in the temperature range from 4 K to 25 K. An overview and uncertainty budget for each of these applications of DCGT is provided, accompanied by corroborating evidence from the literature or, for IDCGT, a CIPM key comparison.

Studies on the structural, optical and dielectric properties of samarium coordinated with salicylic acid single crystal

NASA Astrophysics Data System (ADS)

Singh, Harjinder; Slathia, Goldy; Gupta, Rashmi; Bamzai, K. K.

2018-04-01

Samarium coordinated with salicylic acid was successfully grown as a single crystal by low temperature solution technique using mixed solvent of methanol and water in equal ratio. Structural characterization was carried out by single crystal X-ray diffraction analysis and it crystallizes in centrosymmetric space group P121/c1. FTIR and UV-Vis-NIR spectroscopy confirmed the compound formation and help to determine the mode of binding of the ligand to the rare earth-metal ion. Dielectric constant and dielectric loss have been measured over the frequency range 100 Hz - 30MHz. The decrease in dielectric constant with increases in frequency is due to the transition from interfacial polarization to dipolar polarization. The small value of dielectric constant at higher frequency ensures that the crystal is good candidate for NLO devices. Dielectric loss represents the resistive nature of the material.

Silver (Ag)-Graphene oxide (GO) - Poly (vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) nanostructured composites with high dielectric constant and low dielectric loss

NASA Astrophysics Data System (ADS)

Moharana, Srikanta; Mahaling, Ram Naresh

2017-07-01

The Silver (Ag)-Graphene oxide (GO)-Poly (vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) composites were prepared by solution casting techniques and their dielectric properties were measured. Field emission scanning electron microscopy (FESEM) and X-ray analysis (XRD) confirmed that Ag layers were formed on the surface of the Graphene oxide sheets and homogeneously dispersed into the PVDF-HFP matrix. The result showed that the incorporation of Ag-GO nanoparticles greatly improved the dielectric constant value nearly about 65 at 100 Hz, which is comparatively much higher than that of pure PVDF-HFP. Furthermore, the dielectric loss of the composite remained at a low level (<0.1 at 100 Hz). A percolation threshold of 1.5 vol% of Ag-GO was calculated and explained accordingly. The composite having high dielectric constant and low dielectric loss might be used as dielectric materials for electronic capacitors.

Experimental determination of exchange constants in antiferromagnetic Mn2Au

NASA Astrophysics Data System (ADS)

Sapozhnik, A. A.; Luo, C.; Ryll, H.; Radu, F.; Jourdan, M.; Zabel, H.; Elmers, Hans-Joachim

2018-05-01

Mn2Au is an important antiferromagnetic (AF) material for spintronics applications. Due to its very high Néel temperature of about 1500 K, some of the basic properties are difficult to explore, such as the AF susceptibility and the exchange constants. Experimental determination of these parameters is further hampered in thin films by the unavoidable presence of uncompensated and quasiloose spins on antisites and at interfaces. Using x-ray magnetic circular dichroism (XMCD), we measured induced perpendicular spin and orbital moments for a Mn2Au (001) film in fields up to ±8 T. By performing these measurements at a low temperature of 7 K and at room temperature (RT), we were able to separate the loose spin contribution from the susceptibility of AF coupled spins. The value of the AF exchange constant obtained with this method for a 10-nm-thick Mn2Au (001) film is (22 ±5 )meV .

Real Space Imaging of the Microscopic Origins of the Ultrahigh Dielectric Constant in Polycrystalline CaCu 3Ti 4O 12

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

Kalinin, Sergei V; Shin, Junsoo; Veith, Gabriel M

2005-01-01

The origins of an ultrahigh dielectric constant in polycrystalline CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO) were studied using the combination of impedance spectroscopy, electron microscopy, and scanning probe microscopy (SPM). Impedance spectra indicate that the transport properties in the 0.1 Hz-1 MHz frequency range are dominated by a single parallel resistive-capacitive (RC) element with a characteristic relaxation frequency of 16 Hz. dc potential distributions measurements by SPM illustrate that significant potential drops occur at the grain boundaries, which thus can be unambiguously identified as the dominant RC element. High frequency ac amplitude and phase distributions illustrate very weak grain boundary contrastmore » in SPM, indicative of strong capacitive coupling across the interfaces. These results demonstrate that the ultrahigh dielectric constant reported for polycrystalline CCTO materials is related to grain-boundary behavior.« less

Temperature-dependent ac conductivity and dielectric response of vanadium doped CaCu3Ti4O12 ceramic

NASA Astrophysics Data System (ADS)

Sen, A.; Maiti, U. N.; Thapa, R.; Chattopadhyay, K. K.

2011-09-01

Successful incorporation of vanadium dopant within the giant dielectric material CaCu 3Ti 4O12 (CCTO) through a conventional solid-state sintering process is achieved and its influence on the dielectric as well as electrical properties as a function of temperature and frequency is reported here. Proper crystalline phase formation together with dopant induced lattice constant shrinkage was confirmed through X-ray diffraction. The temperature dependence of the dielectric constant at different constant frequencies was investigated. We infer that the correlated barrier hopping (CBH) model is dominant in the conduction mechanism of the ceramic as per the temperature-dependent ac conductivity measurements. The electronic parameters such as density of the states at the Fermi level, N( E f) and hopping distance, R ω of the ceramic were also calculated using this model.

Core-shell structured polystyrene/BaTiO3 hybrid nanodielectrics prepared by in situ RAFT polymerization: a route to high dielectric constant and low loss materials with weak frequency dependence.

PubMed

Yang, Ke; Huang, Xingyi; Xie, Liyuan; Wu, Chao; Jiang, Pingkai; Tanaka, Toshikatsu

2012-11-23

A novel route to prepare core-shell structured nanocomposites with excellent dielectric performance is reported. This approach involves the grafting of polystyrene (PS) from the surface of BaTiO(3) by an in situ RAFT polymerization. The core-shell structured PS/BaTiO(3) nanocomposites not only show significantly increased dielectric constant and very low dielectric loss, but also have a weak frequency dependence of dielectric properties over a wide range of frequencies. In addition, the dielectric constant of the nanocomposites can also be easily tuned by varying the thickness of the PS shell. Our method is very promising for preparing high-performance nanocomposites used in energy-storage devices. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Thickness-dependent surface energies of few-layered arsenene and antimonene films in α and β phases

NASA Astrophysics Data System (ADS)

Zhao, N.; Zhu, Y. F.; Jiang, Q.

2018-07-01

Group V elemental few-layered materials with semiconducting electronic properties are emerging as promising 2D layered materials. Since the layered configurations need substrate for device fabrications, their surface energy values could decide their properties. Here, we have performed a systematic density functional theory (DFT) investigation on the surface energies of arsenene and antimonene films as the function of thickness. The results show that the surface energy of β phase increases with increased layered numbers and converges to a constant value at about five layers, while the surface energy of α phase is size-independent. Since the surface energies of both α and β phase are similar, there is the existence possibility of α phase. Those could give references for future manufacture of arsenene and antimonene nano-devices.

Selective Clay Placement within a Silicate Clay-Epoxy Blend Nanocomposite and the Effect on Physical Properties

NASA Technical Reports Server (NTRS)

Miller, Sandi G.; Scheiman, Daniel A; Kohlmman, Lee W.

2009-01-01

Many epoxy systems under consideration for composite pressure vessels are composed of toughened epoxy resins. In this work, epoxy blends containing both rigid aromatic and flexible aliphatic components were prepared, to model toughened systems, and determine the optimum route of silicate addition. Compositions were chosen such that both glassy and rubbery resins were obtained at room temperature. The physical properties of the nanocomposites varied with T(g) and silicate placement, however, nanocomposite T(g)s were observed which exceeded that of the base resin by greater than 10 C. The tensile strength of the glassy resin remained constant or decreased on the dispersion of clay while that of the rubbery material doubled. Selectively placing the clay in the aliphatic component of the rubbery blend resulted in a greater than 100% increase in material toughness.

Structural and electronic properties of Ga2O3-Al2O3 alloys

NASA Astrophysics Data System (ADS)

Peelaers, Hartwin; Varley, Joel B.; Speck, James S.; Van de Walle, Chris G.

2018-06-01

Ga2O3 is emerging as an important electronic material. Alloying with Al2O3 is a viable method to achieve carrier confinement, to increase the bandgap, or to modify the lattice parameters. However, the two materials have very different ground-state crystal structures (monoclinic β-gallia for Ga2O3 and corundum for Al2O3). Here, we use hybrid density functional theory calculations to assess the alloy stabilities and electronic properties of the alloys. We find that the monoclinic phase is the preferred structure for up to 71% Al incorporation, in close agreement with experimental phase diagrams, and that the ordered monoclinic AlGaO3 alloy is exceptionally stable. We also discuss bandgap bowing, lattice constants, and band offsets that can guide future synthesis and device design efforts.

Computational study of heat transfer in gas fluidization

NASA Astrophysics Data System (ADS)

Hou, Q. F.; Zhou, Z. Y.; Yu, A. B.

2013-06-01

Heat transfer in gas fluidization is investigated at a particle scale by means of a combined discrete element method and computational fluid dynamicsapproach. To develop understanding of heat transfer at various conditions, the effects of a few important material properties such as particle size, the Hamaker constant and particle thermal conductivity are examined through controlled numerical experiments. It is found that the convective heat transfer is dominant, and radiative heat transfer becomes important when the temperature is high. Conductive heat transfer also plays a role depending on the flow regimes and material properties. The heat transfer between a fluidized bed and an immersed surface is enhanced by the increase of particle thermal conductivity while it is little affected by Young's modulus. The findings should be useful for better understanding and predicting the heat transfer in gas fluidization.

Theoretical Investigation of Half-Metallic Oxides XFeO3 (X = Sr, Ba) via Modified Becke-Johnson Potential Scheme

NASA Astrophysics Data System (ADS)

Maqsood, Saba; Rashid, Muhammad; Din, Fasih Ud; Saddique, M. Bilal; Laref, A.

2018-03-01

The cubic XFeO3 (X = Sr, Ba) perovskite oxides are studied for their thermodynamic stability in the ferromagnetic phase by using density functional theory calculations. We also explore the elastic properties of these compounds in terms of elastic constants C ij, bulk modulus B, shear modulus G, anisotropy factor A, Poisson's ratio ν and the B/ G ratio. The electronic properties are examined to elucidate the magnetic order, and the thermoelectric properties of XFeO3 (X = Sr, Ba) materials are also presented. The modified Becke-Johnson local density approximation scheme has been used to compute the electronic band structure and density of states, which show that these materials are half-metallic ferromagnetic. We study the magnetic properties by computing the crystal field energy (ΔCF), John-Teller energy (ΔJT) and the exchange splitting energies Δx( d) and Δx( pd). Our results indicate that strong hybridization causes a decrease in the magnetic moment of Fe, which then produces permanent magnetic moments in the nonmagnetic sites.

Complementary methods of study for Zr1-xCexO2 compounds for applications in medical prosthesis

NASA Astrophysics Data System (ADS)

Savin, Adriana; Craus, Mihail-Liviu; Turchenko, Vitalii; Bruma, Alina; Dubos, Pierre-Antoine; Malo, Sylvie; Konstantinova, Tatiana E.; Burkhovetsky, Valerii V.

2017-08-01

Zirconia (ZrO2)-based ceramics are preferred due to their advanced mechanical properties such as high-fracture toughness and bulk modulus, corrosion resistance, high dielectric constant, chemical inertness, low chemical conductivity and biocompatibility. The medical prosthesis components made from ZrO2 oxides present a very good biocompatibility as well as especially mechanical properties. In order to ensure implant safety of these prostheses, wide ranges of examinations based on nondestructive testing are imperative for these medical implants. In this study, we aim to emphasize the improvement of Zr-based ceramics properties as a function of addition of Ce ions in the structure of the original ceramics. The substitution of the Zr with Ce in the Zr1-xCexO2 compounds, where x = 0.0-0.17, leads to a change of the phase composition, a gradual transition from the monoclinic to tetragonal structure, at room temperature. The structural investigations proposed in this paper are based on X-ray and neutron diffraction in order to establish a first indication of the variation of the phase composition and the structural parameters, as well as micro-hardness measurements and nondestructive evaluations in order to establish a correlation between the structural parameters and mechanical properties of the samples. These ranges of tests are imperative in order to ensure the safety and reliability of these composite materials, which are widely used as hip-implants or dental implants/coatings. In combination of Resonant Ultrasound Spectroscopy, which makes use of the resonance frequencies corresponding to the normal vibrational modes of a solid in order to evaluate the elastic constants of the materials, we emphasize a unique approach on evaluating the physical properties of these ceramics, which could help in advancing the understanding of properties and applications in medical fields.

Ab Initio Study of Electronic Structure, Elastic and Transport Properties of Fluoroperovskite LiBeF3

NASA Astrophysics Data System (ADS)

Benmhidi, H.; Rached, H.; Rached, D.; Benkabou, M.

2017-04-01

The aim of this work is to investigate the electronic, mechanical, and transport properties of the fluoroperovskite compound LiBeF3 by first-principles calculations using the full-potential linear muffin-tin orbital method based on density functional theory within the local density approximation. The independent elastic constants and related mechanical properties including the bulk modulus ( B), shear modulus ( G), Young's modulus ( E), and Poisson's ratio ( ν) have been studied, yielding the elastic moduli, shear wave velocities, and Debye temperature. According to the electronic properties, this compound is an indirect-bandgap material, in good agreement with available theoretical data. The electron effective mass, hole effective mass, and energy bandgaps with their volume and pressure dependence are investigated for the first time.

Tunable surface plasmon devices

DOEpatents

Shaner, Eric A [Rio Rancho, NM; Wasserman, Daniel [Lowell, MA

2011-08-30

A tunable extraordinary optical transmission (EOT) device wherein the tunability derives from controlled variation of the dielectric constant of a semiconducting material (semiconductor) in evanescent-field contact with a metallic array of sub-wavelength apertures. The surface plasmon resonance wavelength can be changed by changing the dielectric constant of the dielectric material. In embodiments of this invention, the dielectric material is a semiconducting material. The dielectric constant of the semiconducting material in the metal/semiconductor interfacial region is controllably adjusted by adjusting one or more of the semiconductor plasma frequency, the concentration and effective mass of free carriers, and the background high-frequency dielectric constant in the interfacial region. Thermal heating and/or voltage-gated carrier-concentration changes may be used to variably adjust the value of the semiconductor dielectric constant.

Room temperature magnetoelectric coupling and electrical properties of Ni doped Co - ferrite - PZT nanocomposites

NASA Astrophysics Data System (ADS)

Chakraborty, Sarit; Mandal, S. K.; Dey, P.; Saha, B.

2018-04-01

Multiferroic magnetoelectric materials are very interesting for the researcher for the potential application in device preparation. We have prepared 0.3Ni0.5Co0.5Fe2O4 - 0.7PbZr0.58Ti0.42O3 magnetoelectric nanocomposites through chemical pyrophoric reaction process followed by solid state reaction and represented magnetoelectric coupling coefficient, thermally and magnetically tunable AC electrical properties. For the structural characterization XRD pattern and SEM micrograph have been analyzed. AC electrical properties reveal that the grain boundaries resistances are played dominating role in the conduction process in the system. Dielectric studies are represents that the dielectric polarization is decreased with frequency as well as magnetic field where it increases with increasing temperature. The dielectric profiles also represents the electromechanical resonance at a frequency of ˜183 kHz. High dielectric constant and low dielectric loss at room temperature makes the material very promising for the application of magnetic field sensor devices.

Investigation on Rubber-Modified Polybenzoxazine Composites for Lubricating Material Applications

NASA Astrophysics Data System (ADS)

Jubsilp, Chanchira; Taewattana, Rapiphan; Takeichi, Tsutomu; Rimdusit, Sarawut

2015-10-01

Effects of liquid amine-terminated butadiene-acrylonitrile (ATBN) on the properties of bisphenol-A/aniline-based polybenzoxazine (PBA-a) composites were investigated. Liquid ATBN decreased gel time and lowered curing temperature of the benzoxazine resin (BA-a). The PBA-a/ATBN-based self-lubricating composites resulted in substantial enhancement regarding their tribological, mechanical, and thermal properties. The inclusion of the ATBN at 5% by weight was found decreasing the friction coefficient and improved wear resistance of the PBA-a/ATBN composites. Flexural modulus and glass transition temperature of the PBA-a composite samples added the ATBN was constant within the range of 1-5% by weight. A plausible wear mechanism of the composites is proposed based on their worn surface morphologies. Based on the findings in this work, it seems that the obtained PBA-a/ATBN self-lubricating composites would have high potential to be used for bearing materials where low friction coefficient, high wear resistance, and modulus with good thermal property are required.

Condensation polyimides

NASA Technical Reports Server (NTRS)

Hergenrother, P. M.

1989-01-01

Polyimides belong to a class of polymers known as polyheterocyclics. Unlike most other high temperature polymers, polyimides can be prepared from a variety of inexpensive monomers by several synthetic routes. The glass transition and crystalline melt temperature, thermooxidative stability, toughness, dielectric constant, coefficient of thermal expansion, chemical stability, mechanical performance, etc. of polyimides can be controlled within certain boundaries. This versatility has permitted the development of various forms of polyimides. These include adhesives, composite matrices, coatings, films, moldings, fibers, foams and membranes. Polyimides are synthesized through both condensation (step-polymerization) and addition (chain growth polymerization) routes. The precursor materials used in addition polyimides or imide oligomers are prepared by condensation method. High molecular weight polyimide made via polycondensation or step-growth polymerization is studied. The various synthetic routes to condensation polyimides, structure/property relationships of condensation polyimides and composite properties of condensation polyimides are all studied. The focus is on the synthesis and chemical structure/property relationships of polyimides with particular emphasis on materials for composite application.

Numerical Study on the Thermal Stress and its Formation Mechanism of a Thermoelectric Device

NASA Astrophysics Data System (ADS)

Pan, Tao; Gong, Tingrui; Yang, Wei; Wu, Yongjia

2018-06-01

The strong thermo-mechanical stress is one of the most critical failure mechanisms that affect the durability of thermoelectric devices. In this study, numerical simulations on the formation mechanism of the maximum thermal stress inside the thermoelectric device have been performed by using finite element method. The influences of the material properties and the thermal radiation on the thermal stress have been examined. The results indicate that the maximum thermal stress was located at the contact position between the two materials and occurred due to differential thermal expansions and displacement constraints of the materials. The difference in the calculated thermal stress value between the constant and the variable material properties was between 3% and 4%. At a heat flux of 1 W·cm-2 and an emissivity of 0.5, the influence of the radiation heat transfer on the thermal stress was only about 5%; however, when the heat flux was 20 W·cm-2 and the emissivity was 0.7, the influence of the radiation heat transfer was more than 30%.

The Stress Corrosion Resistance and the Cryogenic Temperature Mechanical Behavior of 18-3 Mn (Nitronic 33) Stainless Steel Parent and Welded Material

NASA Technical Reports Server (NTRS)

Montano, J. W.

1976-01-01

The ambient and cryogenic temperature mechanical properties and the ambient temperature stress corrosion results of 18-3 Mn (Nitronic 33)stainless steel, longitudinal and transverse, as received and as welded (TIG) material specimens manufactured from 0.063 inch thick sheet material, were described. The tensile test results indicate an increase in ultimate tensile and yield strengths with decreasing temperature. The elongation remained fairly constant to -200 F, but below that temperature the elongation decreased to less than 6.0% at liquid hydrogen temperature. The notched tensile strength (NTS) for the parent metal increased with decreasing temperature to liquid nitrogen temperature. Below -320 F the NTS decreased rapidly. The notched/unnotched (N/U) tensile ratio of the parent material specimens remained above 0.9 from ambient to -200 F, and decreased to approximately 0.65 and 0.62, respectively, for the longitudinal and transverse directions at liquid hydrogen temperature. After 180 days of testing, only those specimens exposed to the salt spray indicated pitting and some degradation of mechanical properties.

Dirac cones induced by accidental degeneracy in photonic crystals and zero-refractive-index materials.

PubMed

Huang, Xueqin; Lai, Yun; Hang, Zhi Hong; Zheng, Huihuo; Chan, C T

2011-05-29

A zero-refractive-index metamaterial is one in which waves do not experience any spatial phase change, and such a peculiar material has many interesting wave-manipulating properties. These materials can in principle be realized using man-made composites comprising metallic resonators or chiral inclusions, but metallic components have losses that compromise functionality at high frequencies. It would be highly desirable if we could achieve a zero refractive index using dielectrics alone. Here, we show that by employing accidental degeneracy, dielectric photonic crystals can be designed and fabricated that exhibit Dirac cone dispersion at the centre of the Brillouin zone at a finite frequency. In addition to many interesting properties intrinsic to a Dirac cone dispersion, we can use effective medium theory to relate the photonic crystal to a material with effectively zero permittivity and permeability. We then numerically and experimentally demonstrate in the microwave regime that such dielectric photonic crystals with reasonable dielectric constants manipulate waves as if they had near-zero refractive indices at and near the Dirac point frequency.

Implicit Monte Carlo with a linear discontinuous finite element material solution and piecewise non-constant opacity

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

Wollaeger, Ryan T.; Wollaber, Allan B.; Urbatsch, Todd J.

2016-02-23

Here, the non-linear thermal radiative-transfer equations can be solved in various ways. One popular way is the Fleck and Cummings Implicit Monte Carlo (IMC) method. The IMC method was originally formulated with piecewise-constant material properties. For domains with a coarse spatial grid and large temperature gradients, an error known as numerical teleportation may cause artificially non-causal energy propagation and consequently an inaccurate material temperature. Source tilting is a technique to reduce teleportation error by constructing sub-spatial-cell (or sub-cell) emission profiles from which IMC particles are sampled. Several source tilting schemes exist, but some allow teleportation error to persist. We examinemore » the effect of source tilting in problems with a temperature-dependent opacity. Within each cell, the opacity is evaluated continuously from a temperature profile implied by the source tilt. For IMC, this is a new approach to modeling the opacity. We find that applying both source tilting along with a source tilt-dependent opacity can introduce another dominant error that overly inhibits thermal wavefronts. We show that we can mitigate both teleportation and under-propagation errors if we discretize the temperature equation with a linear discontinuous (LD) trial space. Our method is for opacities ~ 1/T 3, but we formulate and test a slight extension for opacities ~ 1/T 3.5, where T is temperature. We find our method avoids errors that can be incurred by IMC with continuous source tilt constructions and piecewise-constant material temperature updates.« less