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At least 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Magnetic iron oxide and manganese-doped iron oxide nanoparticles for the collection of alpha-emitting radionuclides from aqueous solutions

Magnetic nanoparticles are well known to possess chemically active surfaces and high surface areas that can be employed to extract a range of ions from aqueous solutions. Additionally, their paramagnetic property provides a convenient means for bulk collection of the material from solution after the targeted ions have been adsorbed. Herein, two nanoscale amphoteric metal oxides, each possessing useful magnetic attributes, were evaluated for their ability to collect both naturally occurring radioactive isotopes (polonium (Po), radium (Ra), and uranium (U)) as well as the transuranic element americium (Am) from a suite of naturally occurring aqueous matrices. The nanomaterials include commercially available paramagnetic magnetite (Fe3O4) and magnetite that was modified to incorporate manganese (Mn) into the crystal structure. The chemical stability of these nanomaterials was evaluated in Hanford Site, WA ground water between the natural pH (~8) and pH 1 (acidified with HCl). Whereas the magnetite was observed to have good stability over the pH range, the Mn-doped material was observed to leach Mn at low pH. The materials were evaluated in parallel to characterize their uptake performance of the aforementioned alpha-emitting radionuclide spikes from Hanford Site ground water across a range of pH (from ~8 down to 2). In addition, radiotracer uptake experiments were performed on Columbia River water, seawater, and human urine at their natural pH and at pH 2. Despite the observed leaching of Mn from the Mn-doped nanomaterial in the lower pH range, it exhibited generally superior analyte extraction performance compared to the magnetite, and analyte uptake was observed across a broader pH range. The uptake behavior of the various radiotracers on these two materials at different pH levels can generally be explained by the amphoteric nature of the nanoparticle surfaces. Finally, the rate of sorption of the radiotracers on the two materials in unacidified groundwater was evaluated. The uptake curves generally indicate that equilibrium is obtained within a few minutes, which is attributed to the high surface areas of the nanomaterials and the high level of dispersion in the liquids. Overall, the results indicate that these nanomaterials may have the potential to be employed for a range of applications to extract radionuclides from aqueous solutions. These applications may include analytical chemistry, waste water treatment and remediation, mining, and in vitro radiobioassay.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

High-temperature Majorana fermions in magnet-superconductor hybrid systems

Magnet-superconductor hybrid (MSH) structures represent one of the most promising platforms to realize, control, and manipulate Majorana modes using scanning tunneling methods. By depositing either chains or islands of magnetic atoms on the surface of a conventional, elemental superconductor such as Pb or Re, topological superconducting phases can emerge. They feature either localized Majorana bound states at the chain ends or dispersing chiral Majorana modes at the island's boundary. However, some of these experiments have not reached the spectral resolution to clearly distinguish between topological Majorana and trivial Shiba states due to very small superconducting gap sizes and experiments performed at sub-Kelvin temperatures. Here we consider superconducting substrates with unconventional spin-singlet pairing, including high-temperature d -wave and extended s -wave superconductors. We derive topological phase diagrams and compute edge states for cylinder and island geometries and discuss their properties. Several time-reversal invariant topological superconducting phases of the Zhang-Kane-Mele type are found and discussed. Addiotnally, we review one-dimensional MSH structures and show that parameters to realize topologically nontrivial magnetic chains embedded into a larger, two-dimensional substrate differ from the purely one-dimensional case. Quite generally we find that unconventional superconducting substrates work as well as the conventional s -wave substrates to realize topological phases. In particular, iron-based pnictide and chalcogenide superconductors are the most promising class of substrates for future high-temperature MSH systems.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Structural, dielectric and magnetic properties of nickel substituted cobalt ferrite nanoparticles: Effect of nickel concentration

Nickel substituted cobalt ferrite nanoparticles with composition Co{sub 1−x}Ni{sub x}Fe{sub 2}O{sub 4} (0.0 ≤ x ≤ 1.0) was synthesized using simple, low temperature auto combustion method. The X-ray diffraction patterns reveal the formation of cubic phase spinel structure. The crystallite size varies from 30-44 nm with the nickel content. Porous and agglomerated morphology of the bulk sample was displayed in the scanning electron microscopy. Micro Raman spectroscopy reveals continuous shift of E{sub g} and E{sub g}(2) stokes line up to 0.8 Ni substitution. The dispersion behavior of the dielectric constant with frequency and the semicircle nature of the impedance spectra show the cobalt nickel ferrite to have high resistance. The ferromagnetic nature is observed in all the samples, however, the maximum saturation magnetization was achieved by the 0.4 Ni substituted cobalt ferrite, which is up to the 92.87 emu/gm at 30K.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Preparation of magnetic CoFe{sub 2}O{sub 4}-functionalized graphene sheets via a facile hydrothermal method and their adsorption properties

Magnetic CoFe{sub 2}O{sub 4}-functionalized graphene sheets (CoFe{sub 2}O{sub 4}-FGS) nanocomposites have been synthesized by hydrothermal treatment of inorganic salts and thermal exfoliated graphene sheets. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) observations show that cobalt ferrite nanoparticles with sizes of 10-40 nm are well dispersed on graphene sheets. OH{sup -} was recognized as a tie to integrate the inorganic salts with the graphene sheets, which made reaction started and developed on the surface of graphene sheets and formed cobalt ferrite nanoparticles on graphene sheets. The adsorption kinetics investigation revealed that the adsorption of methyl orange from aqueous solution over the as-prepared CoFe{sub 2}O{sub 4}-FGS nanocomposites followed pseudo-second-order kinetic model and the adsorption capacity was examined as high as 71.54 mg g{sup -1}. The combination of the superior adsorption of FGS and the magnetic properties of CoFe{sub 2}O{sub 4} nanoparticles can be used as a powerful separation tool to deal with water pollution. -- Graphical abstract: OH{sup -} was recognized as a tie to integrate the inorganic salts with the graphene sheets, which made reaction started and developed on the surface of graphene sheets and formed cobalt ferrite nanoparticles on graphene sheets. Display Omitted Research highlights: {yields} CoFe{sub 2}O{sub 4}-FGS have been prepared via a facile hydrothermal method. {yields} CoFe{sub 2}O{sub 4} nanoparticles with sizes of 10-40 nm are well dispersed on graphene sheets. {yields} CoFe{sub 2}O{sub 4}-FGS with superior adsorption can be used for water treatment.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Alfvénic modes excited by the kink instability in PHASMA

Magnetic flux ropes have been successfully created with plasma guns in the newly commissioned PHAse Space MApping (PHASMA) experiment. The flux ropes exhibit the expected m = 1 kink instability. The observed threshold current for the onset of this kink instability is half of the Kruskal–Shafranov current limit, consistent with predictions for the non-line tied boundary condition of PHASMA. The helicity, paramagnetism, and growth rate of the observed magnetic fluctuations are also consistent with kink instability predictions. The observed fluctuation frequency appears to be a superposition of a real frequency due to a Doppler shift of the kink mode arising from plasma flow (~2kHz) and a contribution from a wave mode (~5 kHz). The dispersion of the wave mode is consistent with an Alfvén wave. Distinct from most previ-ous laboratory studies of flux ropes, the working gas in PHASMA is argon. Thus, the ion cyclotron frequency in PHASMA is quite low and the frequency of the Alfvénic mode plateaus at ~0.5 of the ion gyro frequency with increasing background magnetic field strength.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Room temperature dielectric and magnetic properties of Gd and Ti co-doped BiFeO{sub 3} ceramics

Room temperature dielectric and magnetic properties of BiFeO{sub 3} samples, co-doped with magnetic Gd and non-magnetic Ti in place of Bi and Fe, respectively, were reported. The nominal compositions of Bi{sub 0.9}Gd{sub 0.1}Fe{sub 1–x}Ti{sub x}O{sub 3} (x = 0.00-0.25) ceramics were synthesized by conventional solid state reaction technique. X-ray diffraction patterns revealed that the substitution of Fe by Ti induces a phase transition from rhombohedral to orthorhombic at x > 0.20. Morphological studies demonstrated that the average grain size was reduced from ∼1.5 μm to ∼200 nm with the increase in Ti content. Due to Ti substitution, the dielectric constant was stable over a wide range of high frequencies (30 kHz to 20 MHz) by suppressing the dispersion at low frequencies. The dielectric properties of the compounds are associated with their improved morphologies and reduced leakage current densities probably due to the lower concentration of oxygen vacancies in the compositions. Magnetic properties of Bi{sub 0.9}Gd{sub 0.1}Fe{sub 1–x}Ti{sub x}O{sub 3} (x = 0.00-0.25) ceramics measured at room temperature were enhanced with Ti substitution up to 20% compared to that of pure BiFeO{sub 3} and Ti undoped Bi{sub 0.9}Gd{sub 0.1}FeO{sub 3} samples. The enhanced magnetic properties might be attributed to the substitution induced suppression of spiral spin structure of BiFeO{sub 3}. An asymmetric shifts both in the field and magnetization axes of magnetization versus magnetic field curves was observed. This indicates the presence of exchange bias effect in these compounds notably at room temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

NUMERICAL MODELING OF FOOTPOINT-DRIVEN MAGNETO-ACOUSTIC WAVE PROPAGATION IN A LOCALIZED SOLAR FLUX TUBE

In this paper, we present and discuss results of two-dimensional simulations of linear and nonlinear magneto-acoustic wave propagation through an open magnetic flux tube embedded in the solar atmosphere expanding from the photosphere through to the transition region and into the low corona. Our aim is to model and analyze the response of such a magnetic structure to vertical and horizontal periodic motions originating in the photosphere. To carry out the simulations, we employed our MHD code SAC (Sheffield Advanced Code). A combination of the VALIIIC and McWhirter solar atmospheres and coronal density profiles were used as the background equilibrium model in the simulations. Vertical and horizontal harmonic sources, located at the footpoint region of the open magnetic flux tube, are incorporated in the calculations, to excite oscillations in the domain of interest. To perform the analysis we have constructed a series of time-distance diagrams of the vertical and perpendicular components of the velocity with respect to the magnetic field lines at each height of the computational domain. These time-distance diagrams are subject to spatio-temporal Fourier transforms allowing us to build {omega}-k dispersion diagrams for all of the simulated regions in the solar atmosphere. This approach makes it possible to compute the phase speeds of waves propagating throughout the various regions of the solar atmosphere model. We demonstrate the transformation of linear slow and fast magneto-acoustic wave modes into nonlinear ones, i.e., shock waves, and also show that magneto-acoustic waves with a range of frequencies efficiently leak through the transition region into the solar corona. It is found that the waves interact with the transition region and excite horizontally propagating surface waves along the transition region for both types of drivers. Finally, we estimate the phase speed of the oscillations in the solar corona and compare it with the phase speed derived from observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Single-Crystal Permanent Magnets: Extraordinary Magnetic Behavior in the Ta-,Cu-, and Fe-Substituted CeCo 5 Systems

To reduce material and processing costs of commercial permanent magnets and to attempt to fill the empty niche of energy products, 10–20 MGOe, between low-flux (ferrites, alnico) and high-flux (Nd 2 Fe 14 B- and SmCo 5 -type) magnets, we report the synthesis, structure, magnetic properties, and modeling of Ta-, Cu-, and Fe-substituted CeCo 5 . Using a self-flux technique, we grow single crystals of Ce 15.1 Ta 1.0 Co 74.4 Cu 9.5 , Ce 16.3 Ta 0.6 Co 68.9 Cu 14.2 , Ce 15.7 Ta 0.6 Co 67.8 Cu 15.9 , Ce 16.3 Ta 0.3 Co 61.7 Cu 21.7 , and Ce 14.3 Ta 1.0 Co 62.0 Fe 12.3 Cu 10.4 . X-ray-diffraction analysis shows that these materials retain a CaCu 5 substructure and incorporate small amounts of Ta in the form of “dumbbells,” filling the 2e crystallographic sites within the one-dimensional hexagonal channel with the 1a Ce site, whereas Co, Cu, and Fe are statistically distributed among the 2c and 3g crystallographic sites. Scanning-electron-microscopy, energy-dispersive-x-ray-spectroscopy, and scanning-transmission-electron-microscopy examinations provide strong evidence of the single-phase nature of the as-grown crystals, even though they readily exhibit significant magnetic coercivities of approximately 1.6 kOe to approximately 1.8 kOe caused by Co-enriched, nanosized structural defects and faults that can serve as pinning sites. Heat treatments at 1040°C for 10 h and hardening at 400°C for 4 h lead to the formation of a so-called composite crystal with a bimodal microstructure that consists of a Ta-poor matrix and Ta-rich laminal precipitates. Formation of the composite crystal during the heat treatment creates a three-dimensional array of extended defects within a primarily single-grain single crystal, which greatly improves its magnetic characteristics. Possible causes for the formation of the composite crystal may be associated with Ta atoms leaving matrix interstices at lower temperatures and/or matrix degradation induced by decreased miscibility at lower temperatures. Furthermore Fe strongly increases both the Curie temperature and magnetization of the system resulting, in ( BH ) max ≈ 13 MGOe at room temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Hybrid Pd/Fe{sub 3}O{sub 4} nanowires: Fabrication, characterization, optical properties and application as magnetically reusable catalyst for the synthesis of N-monosubstituted ureas under ligand-free conditions

Highlights: • Preparation of Pd/Fe{sub 3}O{sub 4} nanowires as magnetically reusable catalysts. • The optical properties of the catalyst were studied using Gans theory. • N-arylation of benzylurea and in situ hydrogenolysis of 1-benzyl-3-arylureas. - Abstract: This paper reports the synthesis and use of Pd/Fe{sub 3}O{sub 4} nanowires, as magnetically separable catalysts for ligand-free amidation coupling reactions of aryl halides with benzylurea under microwave irradiation. Then, the in situ hydrogenolysis of the products was performed to afford the N-monosubstituted ureas from good to excellent yields. This method has the advantages of high yields, simple methodology and easy work up. The catalyst can be recovered by using a magnet and reused several times without significant loss of its catalytic activity. The catalyst was characterized using the powder XRD, SEM, EDS and UV–vis spectroscopy. Experimental absorbance spectra was compared with results from the Gans theory.

36 MATERIALS SCIENCE↗
DOE OSTI2010

Structures and Zonal Flows in Magnetized Plasmas

The numerical study of the zonal flows (transport barriers) in the drift-wave turbulence in magnetically confined plasmas is presented. The existence of two distinct mechanisms for their generation is demonstrated. The evolution of a drift wave-zonal flow system, nonlinearly coupled via the Reynolds stress, is described by a nonlinear equation for the slowly varying envelope of the drift waves, and the nonlinear dispersion relation for the modulational instability of a drift wave pump is derived and analyzed. First, an arbitrary spatial distribution of strictly poloidally propagating drift waves is shown to rapidly decay into the array of localized soliton-like structures moving with different speeds. The corresponding zonal flow potential evolves into the sequence of shocks that produces a strong shearing, with many alternating plasma flows. Next, it is demonstrated that the coherent dipolar vortices, that constitute the building blocks of the strong drift-wave turbulence, are unstable in the presence of an electron temperature gradient. The dipolar vortices (or modons) undergo a qualitative modification by the action of the scalar nonlinearity arising from the magnetic {beta} effect. The modons propagating in the direction of the electron diamagnetic drift rapidly topple, disintegrating into two monopoles that propagate independently and rapidly disperse. Conversely, for the modons that initially moved in the direction of the ion diamagnetic drift, the {beta}-effect produces the change of the direction of the propagation, followed by the stretching in the poloidal direction. On a long time scale, such modons expand to a length equal to the size of the computational box, and essentially an one-dimensional zonal flow is created, whose transverse scale is determined by the initial modon size.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1986

Directional solidification and annealing of Mn55Al45 alloys

The use of directional solidification to produce aligned or magnetic microstructures for the MnAl alloy and the effect of annealing on the bulk magnetic properties of the alloy are investigated. The phase composition, cylindrically shaped magnetization, and room-temperature magnetization of the samples are analyzed. The microstructure of a directionally solidified Al-Mn alloy is characterized by a two-phase structure consisting of randomly-oriented Al-rich fibers of about 40 at. pct Al dispersed in a textureless matrix of about 50 at. pct Al; the matrix phase contains at least 50 wt pct of the metastable and ferrimagnetic tau-phase, and the Al-rich fibers as a precipitated Cr5Al8-type Al-Mn phase. Significant macrosegregation for the thermally stable growth-up orientation is detected. The data reveal that the annealing enhances the cell-like microstructure observed transverse of the solidification direction and increases remanent magnetization and intrinsic coercivity.

Pirich, Ronald G.↗
NASA NTRS2020

Characteristics of Escaping Magnetospheric Ions Associated with Magnetic Field Fluctuations

The four Magnetospheric Multiscale (MMS) spacecraft observed a hot ow anomaly (HFA) at the boundary of the quasi-parallel and quasi-perpendicular bow shock and energetic (E > 50 keV) ion bursts exhibitinginverse dispersion in the magnetosheath on 28 December 2015. We consider the possibility that the ions seen both upstream in the foreshock and down-stream in the magnetosheath originate from the magnetosphere. The ion composition ratios, flux levels, and the spectral slopes of the energetic ion energy spectra observed in the region upstream from the bow shock and in themagnetosheath are similar to those in the outer magnetosphere but significantly differ from those seen further upstream from the bow shock at ACE. We can exclude an explanation of the particle source in terms of HFA acceleration. A simulation shows that escaping magnetospheric ions can be scattered and transported across the magnetosheath. Ground magnetometer observations indicate that a solar wind pressure decrease subsequently allows the bow shock to move outward past the MMS spacecraft placing them in the magnetosheath. This was followed by a pressure increase in the magnetosphere. We posit that the enhanced pressure applied to the magnetosphere accelerates the escaping magnetospheric ions (the betatron acceleration), resulting in the inverse dispersion.

S. H. Lee↗
DOE OSTI2015

Magnetic relaxometry as applied to sensitive cancer detection and localization

Abstract Here we describe superparamagnetic relaxometry (SPMR), a technology that utilizes highly sensitive magnetic sensors and superparamagnetic nanoparticles for cancer detection. Using SPMR, we sensitively and specifically detect nanoparticles conjugated to biomarkers for various types of cancer. SPMR offers high contrast In SPMR measurements, a brief magnetizing pulse is used to align superparamagnetic nanoparticles of a discrete size. Following the pulse, an array of superconducting quantum interference detectors (SQUID) sensors detect the decaying magnetization field. NP size is chosen so that, when bound, the induced field decays in seconds. They are functionalized with specific biomarkers and incubated with cancer cells As a result, superparamagnetic NPs developed here have small size dispersion. Cell incubation studies measure specificity for different cell lines and antibodies with very high contrast.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Two-magnon scattering in the 5d all-in-all-out pyrochlore magnet Cd 2 Os 2 O 7

5d pyrochlore oxides with all-in-all-out magnetic order are prime candidates for realizing strongly correlated, topological phases of matter. Despite significant effort, a full understanding of all-in-all-out magnetism remains elusive as the associated magnetic excitations have proven difficult to access with conventional techniques. Here we report a Raman spectroscopy study of spin dynamics in the all-in-all-out magnetic state of the 5d pyrochlore Cd 2 Os 2 O 7 . Through a comparison between the two-magnon scattering and spin-wave theory, we confirm the large single ion anisotropy in this material and show that the Dzyaloshinskii–Moriya and exchange interactions play a significant role in the spin-wave dispersions. The Raman data also reveal complex spin–charge–lattice coupling and indicate that the metal–insulator transition in Cd 2 Os 2 O 7 is Lifshitz-type. In conclusion, our work establishes Raman scattering as a simple and powerful method for exploring the spin dynamics in 5d pyrochlore magnets.

36 MATERIALS SCIENCE↗
DOE OSTI2011

CORRELATING THE INTERSTELLAR MAGNETIC FIELD WITH PROTOSTELLAR JETS AND ITS SOURCES

This paper combines new CCD polarimetric data with previous information about protostellar objects in a search for correlations involving the interstellar magnetic field (ISMF). Specifically, we carried out an optical polarimetric study of a sample of 28 fields of 10' Multiplication-Sign 10' located in the neighborhood of protostellar jets and randomly spread over the Galaxy. The polarimetry of a large number of field stars is used to estimate both the average and dispersion of the ISMF direction in each region. The results of the applied statistical tests are as follows. Concerning the alignment between the jet direction and the ISMF, the whole sample does not show alignment. There is, however, a statistically significant alignment for objects of Classes 0 and I. Regarding the ISMF dispersion, our sample presents values slightly larger for regions containing T Tauri objects than for those harboring younger protostars. Moreover, the ISMF dispersion in regions containing high-mass objects tends to be larger than in those including only low-mass protostars. In our sample, the mean interstellar polarization as a function of the average interstellar extinction in a region reaches a maximum value around 3% for A(V) = 5, after which it decreases. Our data also show a clear correlation of the mean value of the interstellar polarization with the dispersion of the ISMF: the larger the dispersion, the smaller the polarization. Based on a comparison of our and previous results, we suggest that the dispersion in regions forming stars is larger than in quiescent regions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Preparation and Characterization of Bionanocomposites Based on Benzylated Wheat Straw and Nanoclay

The main goal of this study was to chemically modify the structure of thermoset-like wheat straw using benzylation reaction, change it to thermoplastic material and clarify the precise role of nanoclay on properties of nanocomposites. Thermoplastic benzylated wheat straw (BWS) nanocomposites prepared via solvent casting. The Fourier transform infrared (FTIR) and Nuclear Magnetic Resonance (NMR) spectra confirmed the substitution of H groups with benzyl groups. X-ray diffractometry (XRD) and scanning electron microscopy (SEM) tests demonstrated good dispersion and intercalation of nanoclay. Thermal studies confirmed the thermoplasticity of the samples, while the addition of up to 5% nanoclay showed the increase in crystallization, T{sub g} and T{sub m}. Nanoclay also can retard thermal decomposition process. The presence of nanoclay improved all mechanical properties except the elongation at break. Nanocomposite with 5% nanoclay showed minimum water absorption and highest hydrophobicity comparing to other samples. This novel bionanocomposite could be a suitable alternative for replacing oil-based plastics in biomembranes and bioseparation processes. Graphical Abstract: .

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2011

Improving the structural consistency of C-S-H solid solution thermodynamic models

Simple aqueous-solid solution models of C-S-H (calcium silicate hydrate) are widely used in studies of cement hydration and waste-cement interactions. Even without a clear structural/mechanistic basis, such thermodynamic models yield a good description of solubility data in [Ca]-C/S space, while only satisfactory in [Si]-C/S, H{sub 2}O-C/S, [Ca]-[Si] spaces and in the 0.1 < C/S < 0.8 range. Here, using a multi-site (sublattice) concept, the ideal solid solution model of C-S-H is revised to make it consistent with the Richardson-Groves structural model of C-S-H and with the modern interpretation of spectroscopic ({sup 29}Si MAS NMR) and solubility data. Consideration of two site substitutions, (1) coupled H{sub 2}OCa{sup 2+} for SiO{sub 2}H{sub 2}{sup 2+} replacement in bridging tetrahedral and adjacent interlayer sites, and (2) substitution of interstitial Ca(OH){sub 2} for a vacancy, leads to a new CSHQ model of (A,B) (C,D)X type composed of two tobermorite-like and two jennite-like end members. Because this ideal sublattice SS model cannot fit solubility data well at 0.8 < C/S < 1.1, a simpler CSH3T model is constructed from a polymeric TobH (CaO){sub 2}(SiO{sub 2}){sub 3}(H{sub 2}O){sub 5}, a dimeric T2C (CaO){sub 3}(SiO{sub 2}){sub 2}(H{sub 2}O){sub 5}, and an ordered pentameric T5C (CaO){sub 2.5}(SiO{sub 2}){sub 2.5}(H{sub 2}O){sub 5} tobermorite-like end members. This solid solution model, limited to the range 0.67 < C/S < 1.5, has a correct built-in dependence of the mean silicate chain length on C/S, yields quite realistic fits to the solubility data, and provides a basis for extensions with foreign cations whose sites in the defect-tobermorite structure of C-S-H are known. To account for C-S-H compositions with C/S > 1.5, CSHQ end members were downscaled to one tetrahedral site and used within the simple mixing model. Despite some loss of structural consistency, the solubility and mean silicate chain length data can be reproduced well with this downscaled CSHQ model, capable of temperature corrections and dependencies of density and water content in fully-hydrated C-S-H on C/S ratio. Most literature solubility data sets can be modeled at the cost of moderate adjustments of CSHQ end-member solubility products within 0.2 to 0.6 pK units.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Theoretical studies of optical gain tuning by hydrostatic pressure in GaInNAs/GaAs quantum wells

In order to describe theoretically the tuning of the optical gain by hydrostatic pressure in GaInNAs/GaAs quantum wells (QWs), the optical gain calculations within kp approach were developed and applied for N-containing and N-free QWs. The electronic band structure and the optical gain for GaInNAs/GaAs QW were calculated within the 10-band kp model which takes into account the interaction of electron levels in the QW with the nitrogen resonant level in GaInNAs. It has been shown that this interaction increases with the hydrostatic pressure and as a result the optical gain for GaInNAs/GaAs QW decreases by about 40% and 80% for transverse electric and transverse magnetic modes, respectively, for the hydrostatic pressure change from 0 to 40 kilobars. Such an effect is not observed for N-free QWs where the dispersion of electron and hole energies remains unchanged with the hydrostatic pressure. This is due to the fact that the conduction and valence band potentials in GaInAs/GaAs QW scale linearly with the hydrostatic pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗