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At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Temporal Evolution and Dose-Volume Histogram Predictors of Visual Acuity After Proton Beam Radiation Therapy of Uveal Melanoma

Purpose: To perform an in-depth temporal analysis of visual acuity (VA) outcomes after proton beam radiation therapy (PBRT) in a large, uniformly treated cohort of uveal melanoma (UM) patients, to determine trends in VA evolution depending on pretreatment and temporally defined posttreatment VA measurements; and to investigate the relevance of specific patient, tumor and dose-volume parameters to posttreatment vision loss. Methods and Materials: Uveal melanoma patients receiving PBRT were identified from a prospectively maintained database. Included patients (n=645) received 56 GyE in 4 fractions, had pretreatment best corrected VA (BCVA) in the affected eye of count fingers (CF) or better, with posttreatment VA assessment at specified post-PBRT time point(s). Patients were grouped according to the pretreatment BCVA into favorable (≥20/40) or unfavorable (20/50-20/400) and poor (CF) strata. Temporal analysis of BCVA changes was described, and univariate and forward stepwise multivariate logistic regression analyses were performed to identify predictors for VA loss. Results: Median VA follow-up was 53 months (range, 3-213 months). At 60-month follow up, among evaluable treated eyes with favorable pretreatment BCVA, 45% retained BCVA ≥20/40, whereas among evaluable treated eyes with initially unfavorable/poor BCVA, 21% had vision ≥20/100. Among those with a favorable initial BCVA, attaining BCVA of ≥20/40 at any posttreatment time point was associated with subsequent maintenance of excellent BCVA. Multivariate analysis identified volume of the macula receiving 28GyE (P<.0001) and optic nerve (P=.0004) as independent dose-volume histogram predictors of 48-month post-PBRT vision loss among initially favorable treated eyes. Conclusions: Approximately half of PBRT-treated UM eyes with excellent pretreatment BCVA assessed at 5 years after treatment will retain excellent long-term vision. 28GyE macula and optic nerve dose-volume histogram parameters allow for rational treatment planning optimization that may lead to improved visual outcomes. The detailed temporal analysis with intermediate as well as long-term functional prognosis, and the relationship of outcomes with clinical and treatment planning parameters, is critical for informed care of UM patients before and after PBRT.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2017

Correlation of Acute and Late Brainstem Toxicities With Dose-Volume Data for Pediatric Patients With Posterior Fossa Malignancies

Purpose: Radiation-induced brainstem toxicity after treatment of pediatric posterior fossa malignancies is incompletely understood, especially in the era of intensity modulated radiation therapy (IMRT). The rates of, and predictive factors for, brainstem toxicity after photon RT for posterior fossa tumors were examined. Methods and Materials: After institutional review board approval, 60 pediatric patients treated at our institution for nonmetastatic infratentorial ependymoma and medulloblastoma with IMRT were included in the present analysis. Dosimetric variables, including the mean and maximum dose to the brainstem, the dose to 10% to 90% of the brainstem (in 10% increments), and the volume of the brainstem receiving 40, 45, 50, and 55 Gy were recorded for each patient. Acute (onset within 3 months) and late (>3 months of RT completion) RT-induced brainstem toxicities with clinical and radiographic correlates were scored using Common Terminology Criteria for Adverse Events, version 4.0. Results: Patients aged 1.4 to 21.8 years underwent IMRT or volumetric arc therapy postoperatively to the posterior fossa or tumor bed. At a median clinical follow-up period of 2.8 years, 14 patients had developed symptomatic brainstem toxicity (crude incidence 23.3%). No correlation was found between the dosimetric variables examined and brainstem toxicity. Vascular injury or ischemia showed a strong trend toward predicting brainstem toxicity (P=.054). Patients with grade 3 to 5 brainstem toxicity had undergone treatment to significant volumes of the posterior fossa. Conclusion: The results of the present series demonstrate a low, but not negligible, risk of brainstem radiation necrosis for pediatric patients with posterior fossa malignancies treated with IMRT. No specific dose-volume correlations were identified; however, modern treatment volumes might help limit the incidence of severe toxicity. Additional work investigating inherent biologic sensitivity might also provide further insight into this clinical problem.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2023

Assessment of Combustion Residual Leachate Volume, Composition, and Treatment Costs

Combustion residuals and the resulting leachate from storage sites represent a large volume of wastewater in the United States (U.S.) that has not been quantified. Here this work estimates the constituents present, volume of wastewater, and costs of treatment for both combustion residual landfill leachate and the leachate from surface impoundment closures. Combustion residual landfill leachate produced from contact with bituminous coal combustion byproducts is generally predicted to be higher in lithium and manganese, whereas landfill leachate produced from contact with subbituminous coal combustion byproducts is generally predicted to be higher in mercury and vanadium. The annual volume of a single landfill with combustion residual leachate can reach more than 800,000 cubic meters. This leachate represents an annual volume of 26.8–42.8 million cubic meters nationally. Closing surface impoundments can yield between 830 and 1040 cubic meters of leachate nationally for a three-year closure period. Costs as low as $1.5/m 3 or as high as $95/m 3 are observed. Treatment trains will need to remove 72% of total suspended solids (TSS), 87% of arsenic, and 64% of mercury from landfill leachate. When applied to impoundments, these treatment trains would need to remove 97% of arsenic.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

A high-volume resonator for L-band DNP-NMR

DNP-NMR and EPR experiments that operate at or greater than L-band (i.e., ν 0 (e – ) = 1–2 GHz) are typically limited to maximum sample volumes of several hundred µL. These experiments rely on well-known resonator designs for DNP/EPR irradiation such as the loop-gap resonator and Alderman-Grant coil, where their maximum volumes limit further application to imaging experiments and high-throughput screening beyond L-band. Herein, we demonstrate a birdcage (BC) resonator design that can accommodate several mL of sample while operating around 1.5 GHz. The sample volume is maximized by using two identical BC resonators in a stacked configuration. Simulations are used to optimize the BC design and the performance is validated experimentally with liquid-state Overhauser-DNP-NMR experiments. This BC design exploits just the parasitic capacitance of conductive rings and features no fixed tuning capacitors. An enhancement of –77 is achieved on a 10 mM 4-Amino-TEMPO in H 2 O sample for a 5 mL sample volume. Finally, the associated sample heating is minimal due to the low-E-fields generated and the large sample mass with +3.4 K when driving 100 W for several seconds.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Manufacturing porous U-10Zr metallic fuels with controllable microstructure by volume control spark plasma sintering

In this paper, the volume control spark plasma sintering tool has been designed and applied to sinter porous U-10Zr metallic fuels, by which the sintered sample volume can be precisely controlled. Ethanol and NH 4 HCO 3 are used to control the powder compact or as pore formers to control the pore size and pore structure. Without pore formers, the fuel pellet displays an inhomogeneous microstructure consisting of highly porous and highly densified areas. Uneven powder stacking in the green body results in a non-uniform microstructure, and in the closed-packed area, Joule heating accelerates the neck formation and densification. The addition of ethanol reduces the friction between the powders, resulting in isolated pores formed by the stacking of powders during the sintering. By adding NH 4 HCO 3 , the pore size, and structure can be well controlled, and an interconnected pore structure can be obtained upon the decomposition of the NH 4 HCO 3 . Further, a uniform microstructure and pore distributions can be achieved through the U-10Zr fuel pellets by controlling current flow during the volume control SPS sintering. The microstructure and phase characterization of the sintered porous U-10Zr pellets show major phases of α-U and α-Zr for the sample with short dwelling. For the sample with long dwelling (30 min), the ω UZr 2 in the Zr-enriched area has been observed. The strategy of volume control SPS sintering with the assistance of pore formers could be used to fabricate porous U-10Zr metallic fuels to mimic the microstructure evolution of irradiated metallic fuels (including porosity) and could enable a possible solution for the design of new sodium-free metallic fuels for high burnup.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

A quantifiable and automated volume fraction characterization technique for secondary and tertiary γ′ precipitates in Ni-based superalloys

Highlights: • A new, automated γ′ volume fraction characterization technique has been introduced for Ni-base superalloys. • New image processing techniques can automatically and accurately segment γ′ precipitates from the surrounding γ matrix. • CALPHAD and γ′ phase extraction measurements validate the new characterization technique. - Abstract: Ni-based superalloys are extensively used in high temperature, high stress applications. The presence of coherent γ′-Ni{sub 3}Al precipitates provides the requisite elevated temperature strength and creep resistance in these alloys. Therefore, quantification of the precipitate size distribution and volume fraction is essential for accurate model predictions and future alloy design. Current γ′ volume fraction characterization techniques suffer from a lack of precision and repeatability. Without a reproducible procedure, unacceptable variations and errors have plagued the past 6 decades of superalloys research and have inhibited the implementation of accurate precipitation models for these alloys. Through the use of high resolution, low kV, scanning electron microscopy and state-of-the-art image post-processing, a new, accurate γ′ characterization technique is presented. Using the new technique, secondary γ′ volume fractions in superalloy ME3 were calculated, and confirmed through phase extraction, thus opening the possibility for validation of presently used superalloy precipitation databases.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Evaluation of two intracavitary high-dose-rate brachytherapy devices for irradiating additional and irregularly shaped volumes of breast tissue

The SAVI and Contura breast brachytherapy applicators represent 2 recent advancements in brachytherapy technology that have expanded the number of women eligible for accelerated partial breast irradiation in the treatment of early-stage breast cancer. Early clinical experience with these 2 single-entry, multichannel high-dose-rate brachytherapy devices confirms their ease of use and dosimetric versatility. However, current clinical guidelines for SAVI and Contura brachytherapy may result in a smaller or less optimal volume of treated tissue compared with traditional interstitial brachytherapy. This study evaluates the feasibility of using the SAVI and Contura to irradiate larger and irregularly shaped target volumes, approaching what is treatable with the interstitial technique. To investigate whether additional tissue can be treated, 17 patients treated with the SAVI and 3 with the Contura were selected. For each patient, the planning target volume (PTV) was modified to extend 1.1 cm, 1.3 cm, and 1.5 cm beyond the tumor bed cavity. To evaluate dose conformance to an irregularly shaped target volume, 9 patients treated with the SAVI and 3 with the Contura were selected from the original 20 patients. The following asymmetric PTV margin combinations were assessed for each patient: 1.5/0.3, 1.3/0.3, and 1.1/0.3 cm. For all patients, treatment planning was performed, adopting the National Surgical Adjuvant Breast and Bowel Project guidelines, and dosimetric comparisons were made. The 6-1 and 8-1 SAVI devices can theoretically treat a maximal tissue margin of 1.5 cm and an asymmetric PTV with margins ranging from 0.3 to 1.5 cm. The 10-1 SAVI and Contura can treat a maximal margin of 1.3 cm and 1.1 cm, respectively, and asymmetric PTV with margins ranging from 0.3-1.3 cm. Compared with the Contura, the SAVI demonstrated greater dosimetric flexibility. Risk of developing excessive hot spots increased with the size of the SAVI device. Both the SAVI and Contura appear capable of treating >1.0-cm margins and irregularly shaped PTVs. The 6-1 SAVI device demonstrated the greatest versatility in targeting PTVs approaching what is treatable using the interstitial technique.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2012

The dosimetric impact of daily setup error on target volumes and surrounding normal tissue in the treatment of prostate cancer with intensity-modulated radiation therapy

The purpose of this study was to evaluate the impact of daily setup error and interfraction organ motion on the overall dosimetric radiation treatment plans. Twelve patients undergoing definitive intensity-modulated radiation therapy (IMRT) treatments for prostate cancer were evaluated in this institutional review board-approved study. Each patient had fiducial markers placed into the prostate gland before treatment planning computed tomography scan. IMRT plans were generated using the Eclipse treatment planning system. Each patient was treated to a dose of 8100 cGy given in 45 fractions. In this study, we retrospectively created a plan for each treatment day that had a shift available. To calculate the dose, the patient would have received under this plan, we mathematically 'negated' the shift by moving the isocenter in the exact opposite direction of the shift. The individualized daily plans were combined to generate an overall plan sum. The dose distributions from these plans were compared with the treatment plans that were used to treat the patients. Three-hundred ninety daily shifts were negated and their corresponding plans evaluated. The mean isocenter shift based on the location of the fiducial markers was 3.3 {+-} 6.5 mm to the right, 1.6 {+-} 5.1 mm posteriorly, and 1.0 {+-} 5.0 mm along the caudal direction. The mean D95 doses for the prostate gland when setup error was corrected and uncorrected were 8228 and 7844 cGy (p < 0.002), respectively, and for the planning target volume (PTV8100) was 8089 and 7303 cGy (p < 0.001), respectively. The mean V95 values when patient setup was corrected and uncorrected were 99.9% and 87.3%, respectively, for the PTV8100 volume (p < 0.0001). At an individual patient level, the difference in the D95 value for the prostate volume could be >1200 cGy and for the PTV8100 could approach almost 2000 cGy when comparing corrected against uncorrected plans. There was no statistically significant difference in the D35 parameter for the surrounding normal tissue except for the dose received by the penile bulb and the right hip. Our dosimetric evaluation suggests significant underdosing with inaccurate target localization and emphasizes the importance of accurate patient setup and target localization. Further studies are needed to evaluate the impact of intrafraction organ motion, rotation, and deformation on doses delivered to target volumes.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2014

A study on planning organ at risk volume for the rectum using cone beam computed tomography in the treatment of prostate cancer

In this study, we analyzed planning organ at risk volume (PRV) for the rectum using a series of cone beam computed tomographies (CBCTs) acquired during the treatment of prostate cancer and evaluated the dosimetric effect of different PRV definitions. Overall, 21 patients with prostate cancer were treated radically with 78 Gy in 39 fractions had in total 418 CBCTs, each acquired at the end of the first 5 fractions and then every alternate fraction. The PRV was generated from the Boolean sum volume of the rectum obtained from first 5 fractions (PRV-CBCT-5) and from all CBCTs (PRV-CBCT-All). The PRV margin was compared at the superior, middle, and inferior slices of the contoured rectum to compare PRV-CBCT-5 and PRV-CBCT-All. We also compared the dose received by the planned rectum (Rectum-computed tomography [CT]), PRV-CBCT-5, PRV-CBCT-All, and average rectum (CBCT-AV-dose-volume histogram [DVH]) at critical dose levels. The average measured rectal volume for all 21 patients for Rectum-CT, PRV-CBCT-5, and PRV-CBCT-All was 44.3 ± 15.0, 92.8 ± 40.40, and 121.5 ± 36.7 cm{sup 3}, respectively. For PRV-CBCT-All, the mean ± standard deviation displacement in the anterior, posterior, right, and left lateral directions in centimeters was 2.1 ± 1.1, 0.9 ± 0.5, 0.9 ± 0.8, and 1.1 ± 0.7 for the superior rectum; 0.8 ± 0.5, 1.1 ± 0.5, 1.0 ± 0.5, and 1.0 ± 0.5 for the middle rectum; and 0.3 ± 0.3; 0.9 ± 0.5; 0.4 ± 0.2, and 0.5 ± 0.3 for the inferior rectum, respectively. The first 5 CBCTs did not predict the PRV for individual patients. Our study shows that the PRV margin is different for superior, middle, and the inferior parts of the rectum, it is wider superiorly and narrower inferiorly. A uniform PRV margin does not represent the actual rectal variations during treatment for all treatment fractions. The large variation in interpatient rectal size implies a potential role for adaptive radiotherapy for prostate cancer.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

Organic liquid scintillation detector shape and volume impact on radiation portal monitors

We have developed and tested a radiation portal monitor using organic liquid scintillation detectors. In order to optimize our system designs, neutron measurements were carried out with three organic liquid scintillation detectors of different shapes and sizes, along with a 3 He radiation portal monitor (RPM) as a reference. The three liquids tested were a 7.62 cm diameter by 7.62 cm length cylindrical active volume organic liquid scintillation detector, a 12.7 cm diameter by 12.7 cm length cylindrical active volume organic liquid scintillation detector, and a 25 cm by 25 cm by 10 cm “paddle” shaped organic liquid scintillation detector. Background and Cf-252 neutron measurements were recorded to allow for a comparison of neutron intrinsic efficiencies as well as receiver operating characteristics (ROC) curves between detectors. The 12.7 cm diameter cylindrical active volume organic liquid scintillation detector exhibited the highest intrinsic neutron efficiency (54%) of all three liquid scintillators. An ROC curve analysis for a heavily moderated Cf-252 measurement showed that using the 12.7 cm diameter by 12.7 cm length cylindrical active volume Eljen EJ309 organic liquid scintillation detector would result in the fewest needed detector units in order to achieve a near 100% positive neutron alarm rate while maintaining a better than 1 in 10,000 false alarm rate on natural neutron background. As a result, a small number of organic liquid scintillation detectors could therefore be a valid alternative to 3 He in some RPM applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Effect of natural ageing on volume stability of MSW and wood waste incineration residues

Highlights: ► Natural weathering on BA from MSW and wood waste incineration was evaluated. ► Type of mineral phases, pH and volume stability were considered. ► Weathering reactions effect in improved stability of the materials. - Abstract: This paper presents the results of a study on the effect of natural weathering on volume stability of bottom ash (BA) from municipal solid waste (MSW) and wood waste incineration. BA samples were taken at different steps of treatment (fresh, 4 weeks and 12 weeks aged) and then characterised for their chemical and mineralogical composition and for volume stability by means of the mineralogical test method (M HMVA-StB), which is part of the German quality control system for using aggregates in road construction (TL Gestein-StB 04). Changes of mineralogical composition with the proceeding of the weathering treatment were also monitored by leaching tests. At the end of the 12 weeks of treatment, almost all the considered samples resulted to be usable without restrictions in road construction with reference to the test parameter volume stability.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2013

Probing cell-free gene expression noise in femtoliter volumes

Cell-free systems offer a simplified and flexible context that enables important biological reactions while removing complicating factors such as fitness, division, and mutation that are associated with living cells. However, cell-free expression in unconfined spaces is missing important elements of expression in living cells. In particular, the small volume of living cells can give rise to significant stochastic effects, which are negligible in bulk cell-free reactions. Here, we confine cell-free gene expression reactions to cell relevant 20 fL volumes (between the volumes of E. coli and S. cerevisiae), in polydimethylsiloxane (PDMS) containers. We demonstrate that expression efficiency varies widely at this volume, and we analyze gene expression noise. Noise analysis reveals signatures of translational bursting while noise dynamics suggest that overall cell-free expression is limited by a diminishing translation rate. In addition to offering a unique approach to understanding noise in gene circuits, our work contributes to a deeper understanding of the biophysical properties of cell-free expression systems, thus aiding efforts to harness cell-free systems for synthetic biology applications.

Karig, David K↗
DOE OSTI2013

Volume Labeling with Alexa-Fluor Dyes and Surface Functionalization of Highly Sensitive Fluorescent SiO2 Nanoparticles

A new synthesis approach is described that allows the direct incorporation of fluorescent labels into the volume or body of SiO2 nanoparticles. In this process, fluorescent Alexa Fluor dyes with different emission wavelengths were covalently incorporated into the SiO2 nanoparticles during their formation by the hydrolysis of tetraethoxysilane. The dye molecules were homogeneously distributed throughout the SiO2 nanoparticles. The quantum yields of the Alexa Fluor volume-labeled SiO2 nanoparticles were much higher than nanoparticles labeled using conventional organic dyes. The size of the resulting nanoparticles was controlled using microemulsion reaction media with sizes in the range of 20-100 nm and a polydispersity of <15%. In comparison with conventional surface tagged particles created by post-synthesis modification, this process maintains the physical and surface chemical properties that have the most pronounced effect on colloidal stability and interactions with their surroundings. These volume-labeled nanoparticles have proven to be extremely robust, showing excellent signal strength, negligible photobleaching, and minimal loss of functional organic components. The native or free surface of the volume-labeled particles can be altered to achieve a specific surface functionality without altering fluorescence. Their utility was demonstrated for visualizing the association of surface modified fluorescent particles with cultured macrophages. Differences in particle agglomeration and cell association were clearly associated with differences in observed nanoparticle toxicity. The capacity to maintain particle fluorescence while making significant changes to surface chemistry makes these particles extremely versatile and useful for studies of particle agglomeration, uptake, and transport in environmental and biological systems.

Wang, Wei↗
DOE OSTI2011

Characteristic free volumes of bulk metallic glasses: Measurement and their correlation with glass-forming ability

A convenient method is proposed for the measurement of the characteristic free volumes, viz., the amount of excess free volume annihilation in structural relaxation V{sub f-sr} and the amount of new free volume production in glass transition V{sub f-gt} of bulk metallic glasses (BMGs) by thermal dilation (DIL) test. Through the DIL tests, the characteristic free volumes are found to be sensitive to the change of glass forming ability (GFA). The Pd{sub 40}Cu{sub 30}Ni{sub 10}P{sub 20} BMG has a quite small V{sub f-sr}. For a series of Fe-Cr-Mo-C-B-(Er) BMGs, Fe{sub 48}Cr{sub 15}Mo{sub 14}C{sub 15}B{sub 6}Er{sub 2} with the largest GFA is identified to have the largest V{sub f-gt} and smallest V{sub f-sr}. The correlation between V{sub f-sr} and the squares of critical diameters of these iron-based BMGs can be fitted as a negative exponential function with high accuracy.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Large volume high-pressure cell for inelastic neutron scattering

Inelastic neutron scattering measurements typically require two orders of magnitude longer data collection times and larger sample sizes than neutron diffraction studies. Inelastic neutron scattering measurements on pressurised samples are particularly challenging since standard high-pressure apparatus restricts sample volume, attenuates the incident and scattered beams, and contributes background scattering. Here, we present the design of a large volume two-layered piston-cylinder pressure cell with optimised transmission for inelastic neutron scattering experiments. The design and the materials selected for the construction of the cell enable its safe use to a pressure of 1.8 GPa with a sample volume in excess of 400 mm{sup 3}. The design of the piston seal eliminates the need for a sample container, thus providing a larger sample volume and reduced absorption. The integrated electrical plug with a manganin pressure gauge offers an accurate measurement of pressure over the whole range of operational temperatures. The performance of the cell is demonstrated by an inelastic neutron scattering study of UGe{sub 2}.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Breakdown-prone volume in terahertz wave beams

This study was motivated by the recently proposed concept of remote detection of concealed radioactive materials by a focused terahertz (THz) radiation [V. L. Granatstein and G. S. Nusinovich, J. Appl. Phys. 108, 063304 (2010)]. According to this concept, a high-power THz radiation should be focused in a small spot where the field intensity exceeds the breakdown threshold. In the presence of free electrons in such a breakdown-prone volume, a THz discharge will occur there. However, this volume should be so small that in the absence of ionizing sources in its vicinity the probability to have there any free electrons is low. Then, the increased breakdown rate in a series of THz pulses would indicate the presence of hidden radioactive materials in the vicinity of the focused spot. For this concept, it is important to accurately determine the breakdown-prone volume created by a focused THz radiation. This problem is analyzed in this paper, first, for the case of a single wave beam and, then, for the case of crossing wave beams of different polarizations. The problem is studied first ignoring the diffraction spread of wave beams in the vicinity of the focal plane and, then, with the account for the diffraction spreading. Then, relations between the THz wave power, the range of such a system and the breakdown-prone volume are analyzed. Finally, the effect of the atmospheric turbulence on propagation and focusing of THz wave beams in air is considered.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Adjustable magnetoelectric effect of self-assembled vertical multiferroic nanocomposite films by the in-plane misfit strain and ferromagnetic volume fraction

The strain-mediated magnetoelectric (ME) property of self-assembled vertical multiferroic nanocomposite films epitaxially grown on cubic substrates was calculated by a nonlinear thermodynamic theory combined with the elastic theory. The dependent relations of phase state of ferroelectric films with the in-plane misfit strain, out-of-plane misfit strain, temperature, and volume fraction of ferromagnetic phase were confirmed. The effects of in-plane misfit strain and ferromagnetic volume fraction on the polarization and dielectric constant of ferroelectric films at room temperature were elaborately analyzed for the vertical BaTiO{sub 3}-CoFe{sub 2}O{sub 4} and PbTiO{sub 3}-CoFe{sub 2}O{sub 4} nanocomposite films. Our calculated results confirmed the relationship among ME effect and in-plane misfit strain and ferromagnetic volume fraction in the nanocomposite films. The ME voltage coefficients of vertical BaTiO{sub 3}-CoFe{sub 2}O{sub 4} and PbTiO{sub 3}-CoFe{sub 2}O{sub 4} nanocomposite films displayed various maximums and abrupt points at special phases and phase transition boundaries. The ME voltage coefficients of lead-free BaTiO{sub 3}-CoFe{sub 2}O{sub 4} nanocomposite films epitaxially grown on different substrates could reach a comparative value of ∼2 V·cm{sup −1}·Oe{sup −1} under the controllable in-plane misfit strain induced by substrate clamping. Our results provided an available method for the optimal design of vertical multiferroic nanocomposites with adjustable ME effect by optimizing the ferromagnetic volume fraction and substrate type.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effects of excluded volume and correlated molecular orientations on Förster resonance energy transfer in liquid water

Förster theory for the survival probability of excited chromophores is generalized to include the effects of excluded volume and orientation correlation in the molecular distribution. An analytical expression for survival probability was derived and written in terms of a few simple elementary functions. Because of the excluded volume, the survival probability exhibits exponential decay at early times and stretched exponential decay at later times. Experimental schemes to determine the size of the molecular excluded volume are suggested. With the present generalization of theory, we analyzed vibrational resonance energy transfer kinetics in neat water. Excluded volume effects prove to be important and slow down the kinetics at early times. The majority of intermolecular resonance energy transfer was found to occur with exponential kinetics, as opposed to the stretched exponential behavior predicted by Förster theory. Quantum yields of intra-molecular vibrational relaxation, intra-, and intermolecular energy transfer were calculated to be 0.413, 0.167, and 0.420, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗