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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

OpenACC acceleration of an unstructured CFD solver based on a reconstructed discontinuous Galerkin method for compressible flows

Here, an OpenACC directive-based graphics processing unit (GPU) parallel scheme is presented for solving the compressible Navier–Stokes equations on 3D hybrid unstructured grids with a third-order reconstructed discontinuous Galerkin method. The developed scheme requires the minimum code intrusion and algorithm alteration for upgrading a legacy solver with the GPU computing capability at very little extra effort in programming, which leads to a unified and portable code development strategy. A face coloring algorithm is adopted to eliminate the memory contention because of the threading of internal and boundary face integrals. A number of flow problems are presented to verify the implementation of the developed scheme. Timing measurements were obtained by running the resulting GPU code on one Nvidia Tesla K20c GPU card (Nvidia Corporation, Santa Clara, CA, USA) and compared with those obtained by running the equivalent Message Passing Interface (MPI) parallel CPU code on a compute node (consisting of two AMD Opteron 6128 eight-core CPUs (Advanced Micro Devices, Inc., Sunnyvale, CA, USA)). Speedup factors of up to 24× and 1.6× for the GPU code were achieved with respect to one and 16 CPU cores, respectively. The numerical results indicate that this OpenACC-based parallel scheme is an effective and extensible approach to port unstructured high-order CFD solvers to GPU computing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

In vivo quantitative whole‐brain T 1 rho MRI of multiple sclerosis

Background To apply quantitative whole‐brain T 1 ‐rho (T 1ρ ) and T 2 imaging to the detection and quantification of brain changes resulting from multiple sclerosis (MS). Methods Twenty‐three MS patients with clinically isolated syndrome (10) and relapsing remitting MS (13) phenotypes, compared with 24 age‐matched healthy controls were imaged at 3 Tesla. An axial T 1ρ ‐weighted three‐dimensional turbo spin echo sequence with a variable flip angle and fluid suppression was used. Spin‐lock times of 0, 20, 40, 60, 80, and 100 ms were used. Corresponding T 2 maps were also acquired. Results Whole brain white matter (WM) T 1ρ maps were elevated compared with controls ( P = 0.002). WM lesion T 1ρ and T 2 values were highly correlated (r = 0.83), but T 1ρ demonstrated 25% better contrast to noise ratio ( P < 0.001). WM lesion T 1ρ correlated with disease duration. Gray matter T 1ρ was negatively correlated with the Expanded Disability Status Scale, r = −0.45, P = 0.03. Normal appearing gray matter and cortical gray matter lesions were negatively correlated on T 1ρ , but not on T 2 (r T1ρ = −0.63, p T1ρ = 0.03; r T2 = −0.17, p T2 = 0.6). Conclusion T 1ρ MRI demonstrates enhanced lesion contrast compared with T 2 , and in some cases may provide complementary information. T 1ρ may provide a useful measure of demyelinating processes in MS. J. MAGN. RESON. IMAGING 2015;42:1623–1630.

Gonyea, Jay V.↗
DOE OSTI2022

Single-Cell Metabolomics with Rapid Determination of Chemical Formulas from Isotopic Fine Structures

Metabolomic measurements can provide functional readouts of cellular states and phenotypes. Here, we present a protocol for single-cell metabolomics that permits direct untargeted detection of a broad number of metabolites under ambient conditions, without the need for sample processing, and with high confidence in the discovery and identification of the molecular formulas for detected metabolites. This protocol describes combining fiber-based laser ablation electrospray ionization (f-LAESI) with a 21 Tesla Fourier transform ion cyclotron resonance mass spectrometer (21T-FTICR-MS) to obtain high confidence molecular formula information about detected metabolites. The f-LAESI source utilizes mid-infrared laser ablation through a sharp optical fiber tip, affording direct ambient analysis of cells without the need for sample processing. Using the 21T-FTICR-MS as a mass analyzer enabled measurement of the isotopic fine structure (IFS) for numerous metabolites simultaneously from single cells, and the IFSs were in turn computationally processed to rapidly determine the corresponding elemental compositions. This metabolomics technique complements other single cell omics measurement methods, helping to resolve complex molecular interactions that take place within cells unattainable from single cell transcriptomic and proteomics methods.

mass spectrometry, FTICR, FTMS, ultrahigh mass res↗
DOE OSTI2019

Image quality and diagnostic accuracy of complex-averaged high b value images in diffusion-weighted MRI of prostate cancer

Purpose: To evaluate the impact of complex-averaging on image quality (IQ) and diagnostic accuracy of acquired and calculated high b value (aHBV, cHBV) images in diffusion-weighted prostate MRI. Materials and methods: This retrospective study included 84 patients who underwent multiparametric prostate MRI at 3 Tesla without endorectal coil. DWIs were acquired at three different b values which included two lower b values (b = 50,900 s/mm{sup 2}) and one higher b value (aHBV at 2000 s/mm{sup 2}). The acquired data were postprocessed to generate two different types of trace-weighted images—using conventional magnitude-averaging and complex-averaging. Using lower b values (b = 50,900 s/mm{sup 2}) from both conventional and complex-averaged image sets, cHBV images (b = 2000 s/mm{sup 2}) and ADC maps were derived. All image sets were reviewed by two radiologists in different reading sessions to assess image quality and PIRADS. The diagnostic accuracy of different image sets for the detection of prostate lesions was performed by correlating PIRADS and Gleason scores. Results: Complex-averaging did not impact ADC values of the prostate lesions compared to magnitude-averaging (P = 0.08). Complex-averaging improved image quality of acquired high b value and calculated high b value images (P < 0.0001). Complex-averaging also improved the level of confidence (LOC) of the acquired high b value for both readers (P < 0.0001, P < 0.05), but only for reader A in calculated high b value (P < 0.0001). The image quality of calculated high b value images was not significantly different than acquired high b value images. The dataset combining complex-averaging and calculated high b value provided the highest diagnostic accuracy (but not statistically significant) for detection of the significant prostate lesion compared to the magnitude-averaged acquired high b value (79.55% vs. 72.73%; P = 0.317). The mean acquisition time for b = 2000 s/mm{sup 2} sequence (aHBV) was 6 min 30 s (± 1 min 16 s) out of a total of 28 min 31 s (± 4 min 26 s) for the entire mp-MRI protocol (approximately 25% of total scan time). Conclusion: Complex-averaging provides better image quality and level of confidence without significant impact on ADC values and diagnostic accuracy for detection of the significant prostate lesions . The calculated high b value images are also comparable to (and can substitute) the acquired high b value images which can help in reducing the imaging time.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2012

Magnetic Resonance Imaging-Guided Osseous Biopsy in Children With Chronic Recurrent Multifocal Osteomyelitis

Purpose: To report the safety and diagnostic performance of magnetic resonance (MRI)-guided core biopsy of osseous lesions in children with chronic recurrent multifocal osteomyelitis (CRMO) that were visible on MRI but were occult on radiography and computed tomography (CT). Materials and Methods: A retrospective analysis of MRI-guided osseous biopsy performed in seven children (four girls and three boys; mean age 13 years (range 11 to 14) with CRMO was performed. Indication for using MRI guidance was visibility of lesions by MRI only. MRI-guided procedures were performed with 0.2-Tesla (Magnetom Concerto; Siemens, Erlangen, Germany; n = 5) or 1.5-T (Magnetom Espree; Siemens; n = 2) open MRI systems. Core needle biopsy was obtained using an MRI-compatible 4-mm drill system. Conscious sedation or general anesthesia was used. Parameters evaluated were lesion visibility, technical success, procedure time, complications and microbiology, cytology, and histopathology findings. Results: Seven of seven (100%) targeted lesions were successfully visualized and sampled. All obtained specimens were sufficient for histopathological analysis. Length of time of the procedures was 77 min (range 64 to 107). No complications occurred. Histopathology showed no evidence of malignancy, which was confirmed at mean follow-up of 50 months (range 28 to 78). Chronic nonspecific inflammation characteristic for CRMO was present in four of seven (58%) patients, and edema with no inflammatory cells was found in three of seven (42%) patients. There was no evidence of infection in any patient. Conclusion: MRI-guided osseous biopsy is a safe and accurate technique for the diagnosis of pediatric CRMO lesions that are visible on MRI only.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2011

Enhanced Antitumor Effect of Tirapazamine Delivered Intraperitoneally to VX2 Liver Tumor-Bearing Rabbits Subjected to Transarterial Hepatic Embolization

Purpose: We evaluated the effects of the combination of Tirapazamine (TPZ), activated preferentially under hypoxic conditions, and gelatin microspheres (GMS) on the tumor growth ratio in rabbits. Methods: We assigned 20 liver tumor-bearing Japanese white rabbits to 4 equal groups. Group 1 received 1 ml of saline intra-arterially (i.a.) and 20 ml of saline intraperitoneally (i.p.; saline group). Group 2 was injected with GMS i.a. and 20 ml saline i.p. (GMS group). Group 3 received 1 ml of saline i.a. and 300 mg/m{sup 2} of TPZ i.p. (TPZ group), and group 4 was treated with GMS i.a. and 300 mg/m{sup 2} of TPZ i.p. (GMS + TPZ group). The infusion of GMS was stopped when the blood flow stagnated. Before and 7 days after treatment, the liver tumor volumes were measured as the total number of pixels on 0.3Tesla (T) magnetic resonance imaging (MRI) scans. Results: The tumor growth ratio (mean {+-} standard deviation) of the saline, GMS, TPZ, and GMS + TPZ groups was 519.15 {+-} 93.78, 279.24 {+-} 91.83, 369.78 {+-} 95.73, and 119.87 {+-} 17.62, respectively. The difference between the GMS + TPZ group and the other groups was statistically significant (P < 0.05). Conclusions: Our results show that the combination of TPZ i.p. and GMS i.a. enhanced the antitumor effect of TPZ. This procedure may represent a new alternative treatment for patients with hepatic cell carcinoma.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2012

A Signal-Inducing Bone Cement for Magnetic Resonance Imaging-Guided Spinal Surgery Based on Hydroxyapatite and Polymethylmethacrylate

The aim of this study was to develop a signal-inducing bone cement for magnetic resonance imaging (MRI)-guided cementoplasty of the spine. This MRI cement would allow precise and controlled injection of cement into pathologic lesions of the bone. We mixed conventional polymethylmethacrylate bone cement (PMMA; 5 ml methylmethacrylate and 12 g polymethylmethacrylate) with hydroxyapatite (HA) bone substitute (2-4 ml) and a gadolinium-based contrast agent (CA; 0-60 {mu}l). The contrast-to-noise ratio (CNR) of different CA doses was measured in an open 1.0-Tesla scanner for fast T1W Turbo-Spin-Echo (TSE) and T1W TSE pulse sequences to determine the highest signal. We simulated MRI-guided cementoplasty in cadaveric spines. Compressive strength of the cements was tested. The highest CNR was (1) 87.3 (SD 2.9) in fast T1W TSE for cements with 4 {mu}l CA/ml HA (4 ml) and (2) 60.8 (SD 2.4) in T1W TSE for cements with 1 {mu}l CA/ml HA (4 ml). MRI-guided cementoplasty in cadaveric spine was feasible. Compressive strength decreased with increasing amounts of HA from 46.7 MPa (2 ml HA) to 28.0 MPa (4 ml HA). An MRI-compatible cement based on PMMA, HA, and CA is feasible and clearly visible on MRI images. MRI-guided spinal cementoplasty using this cement would permit direct visualization of the cement, the pathologic process, and the anatomical surroundings.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2010

Magnetic Alignment of Cellulose Nanowhiskers in an All-Cellulose Composite

Unidirectional reinforced nanocomposite paper was fabricated from cellulose nanowhiskers and wood pulp under an externally-applied magnetic field. A 1.2 Tesla magnetic field was applied in order to align the nanowhiskers in the pulp as it was being formed into a sheet of paper. The magnetic alignment was driven by the characteristic negative diamagnetic anisotropy of the cellulose nanowhiskers. ESEM micrographs demonstrated unidirectional alignment of the nanowhiskers in the all-cellulose composite paper. Comparing with control paper sheets made from wood pulp only, the storage modulus in the all-cellulose nanocomposites increased dramatically. The storage modulus along the direction perpendicular to the magnetic field was much stronger than that parallel to the magnetic field. This new nanocomposite, which contains preferentially-oriented microstructures and has improved mechanical properties, demonstrates the possibility of expanding the functionality of paper products and constitutes a promising alternative to hydrocarbon based materials and fibers.

09 BIOMASS FUELS↗
DOE OSTI2011

Zn-Doping Dependence of Stripe Order in La1.905Ba0.095CuO4

The effect of Zn-doping on the stripe order in La{sub 1.905}Ba{sub 0.095}CuO{sub 4} has been studied by means of x-ray and neutron diffraction as well as magnetization measurements. While 1% Zn leads to an increase of the spin stripe order, it unexpectedly causes a wipe out of the visibility of the charge stripe order. A magnetic field of 10 Tesla applied along the c-axis has no reversing effect on the charge order. We compare this observation with the Zn-doping dependence of the crystal structure, superconductivity, and normal state magnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Effect of High-Gradient Magnetic Field on Electrical Property of Carbon Nanotube-Polypyrrole Composite; Nanotube Separation Mechanism

High- and low-gradient magnetic fields are produced by resistor-inductor-capacitor (RLC) discharge apparatuses. The maximum magnetic field is 12.5 Tesla with 1-ms pulse duration. Multiwall carbon nanotube–polypyrrole composite is prepared. The samples are exposed to high- and low-gradient magnetic fields. To understand the behavior of carbon nanotubes (CNTs) in high-gradient magnetic fields (HGMFs), we theoretically calculated the equivalent magnetic susceptibility of a CNT in the gradient magnetic field. We found that the gradient force which is exerted on a CNT could be repellent or absorbent depending on the parallel and perpendicular susceptibilities of the CNT, as well as on the initial orientation of the CNT with respect to magnetic field direction. Four-probe studies show that the electrical conductivity of CNT composites decreases after exposure to a high-gradient magnetic field. Microscopic observation of the electrical current profile of composites reveals rearrangement of CNTs under HGMF.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Heat Capacity and Mössbauer Study of Self-Flux Grown FeTe Single Crystal

We report mainly the heat capacity and Mössbauer study of self-flux grown FeTe single crystal, which is a ground state compound of the Fe chalcogenides superconducting series i.e. FeTe{sub 1−x}(Se/S){sub x} The as grown FeTe single crystal is large enough to the tune of a few centimetres and the same crystallizes in tetragonal structure having space group of P4/nmm. FeTe shows the structural/magnetic phase transition at 70 K in both magnetic and resistivity measurements. Heat capacity measurement also confirms the coupled structural/magnetic transition at the same temperature. The Debye model fitting of low temperature (below 70 K) heat capacity exhibited Debye temperature (𝜃{sub D}) to be 324 K. Mössbauer spectra are performed at 300 and 5 K. The 300-K spectra showed two paramagnetic doublets and the 5-K spectra exhibited hyperfine magnetic sextet with an average hyperfine field of 10.6 Tesla matching with the results of Yoshikazu Mizuguchi et al.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

A rapid heating and high magnetic field thermal analysis technique

Abstract A new thermal analysis technique is described that allows measurements to be performed on bulk samples at extreme heating and cooling rates and in high magnetic fields. High heating rates, up to 1000 °C min −1 , are achieved through electromagnetic induction heating of a custom-built apparatus fitted with commercial thermal analysis heads and sensor. Rapid cooling rates, up to 100 °C min −1 , are enabled by gas quenching and the small thermal mass of the induction furnace. The custom apparatus is designed to fit inside a superconducting magnet capable of fields up to 9 Tesla. This study demonstrates that the instrument is capable of collecting accurate thermal analysis data in high magnetic fields and rapidly acquiring data for dynamic processes. While the full potential of the technique is still unrealized, currently, it can provide insight into phenomena at time scales relevant to heat treatment in many industrial processes and into little understood effects of high magnetic field processing.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

GPU-accelerated denoising of 3D magnetic resonance images

The raw computational power of GPU accelerators enables fast denoising of 3D MR images using bilateral filtering, anisotropic diffusion, and non-local means. In practice, applying these filtering operations requires setting multiple parameters. This study was designed to provide better guidance to practitioners for choosing the most appropriate parameters by answering two questions: what parameters yield the best denoising results in practice? And what tuning is necessary to achieve optimal performance on a modern GPU? To answer the first question, we use two different metrics, mean squared error (MSE) and mean structural similarity (MSSIM), to compare denoising quality against a reference image. Surprisingly, the best improvement in structural similarity with the bilateral filter is achieved with a small stencil size that lies within the range of real-time execution on an NVIDIA Tesla M2050 GPU. Moreover, inappropriate choices for parameters, especially scaling parameters, can yield very poor denoising performance. To answer the second question, we perform an autotuning study to empirically determine optimal memory tiling on the GPU. The variation in these results suggests that such tuning is an essential step in achieving real-time performance. These results have important implications for the real-time application of denoising to MR images in clinical settings that require fast turn-around times.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Angular Averaged Profiling of the Radial Electric Field in Compensated FTICR Cells

A recent publication from this laboratory (1) reported a theoretical analysis comparing approaches for creating harmonic ICR cells. We considered two examples of static segmented cells - namely, a seven segment cell developed in this laboratory (2) and one described by Rempel et al (3), along with a recently described dynamically harmonized cell (4). This conceptual design for a dynamically harmonized cell has now been reduced to practice and first experimental results obtained with this cell were recently reported in this journal (5). This publication reports details of cell construction and describes its performance in a 7 Tesla Fourier Transform mass spectrometer. Herein, we describe the extension of theoretical analysis presented in (1) to include angular-averaged radial electric field calculations and a discussion of the influence of trapping plates.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2018

An Orbital Trap Mass Analyzer Using a Hybrid Magnetic-Electric Field: A Simulation Study

An orbital ion trap mass analyzer employing hybrid magnetic-electric field was designed and simulated. The trap has a rotational symmetrical structure and the hybrid trapping field was created in a toroidal space between 12 pairs of sector detection electrodes. Ion injection and ion orbital motion inside the trap were simulated using SIMION 8.1 with a user Lua program, and the required electric and magnetic field were investigated. The image charge signal can be picked up by the 12 pairs of detection electrodes and the mass resolution was evaluated using FFT. The simulated resolving power for the optimized configuration over 79,000 FWHM was obtained at the magnetic induction intensity of 0.5 Tesla in the simulation. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Tailoring microstructures with mild magnetic-field processing: A case study of CuNiFe alloys

Combined experimental and computational investigations of the CuNiFe spinodal system confirm that application of a mild magnetic field during thermal treatment alters elemental redistribution and the resulting microstructure, relative to that obtained from zero-field annealing. Spinodal decomposition of a Cu 40 Ni 42 Fe 18 alloy was initiated during thermal treatment at 773 K, conducted either under zero field or modest (60 mT) magnetic f ield conditions for up to 200 h. Periodic (~10 nm) chemical modulations into Cu-rich and NiFe-rich regions were observed under both conditions, with the amplitude and wavelength of the segregated regions increasing with treatment time. However, magnetic field annealing resulted in a more than twofold increase in the amplitude of elemental modulations relative to zero-field conditions – consistent with enhanced diffusional f luxes during spinodal decomposition – while the modulation wavelength remained largely unaffected. These microstructural differences are reflected in various extrinsic magnetic properties. In parallel, first-principles DFT calculations indicate that long-range ferromagnetic order, as induced by an applied magnetic field, substantially alters the strength and nature of atomic interactions, enhancing the thermodynamic instability of the CuNiFe solid solution. Collectively, these results suggest that incorporating a mild (millitesla-level) magnetic field – distinct from the strong (tesla-level) fields commonly used in prior studies – during thermal processing has the potential to deliver enhanced control of microstructures for targeted engineering outcomes.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Graphics processing unit accelerated phase field dislocation dynamics: Application to bi-metallic interfaces

We present the first high-performance computing implementation of the meso-scale phase field dislocation dynamics (PFDD) model on a graphics processing unit (GPU)-based platform. The implementation takes advantage of the portable OpenACC standard directive pragmas along with Nvidia's compute unified device architecture (CUDA) fast Fourier transform (FFT) library called CUFFT to execute the FFT computations within the PFDD formulation on the same GPU platform. The overall implementation is termed ACCPFDD-CUFFT. The package is entirely performance portable due to the use of OPENACC-CUDA inter-operability, in which calls to CUDA functions are replaced with the OPENACC data regions for a host central processing unit (CPU) and device (GPU). A comprehensive benchmark study has been conducted, which compares a number of FFT routines, the Numerical Recipes FFT (FOURN), Fastest Fourier Transform in the West (FFTW), and the CUFFT. The last one exploits the advantages of the GPU hardware for FFT calculations. The novel ACCPFDD-CUFFT implementation is verified using the analytical solutions for the stress field around an infinite edge dislocation and subsequently applied to simulate the interaction and motion of dislocations through a bi-phase copper-nickel (Cu–Ni) interface. It is demonstrated that the ACCPFDD-CUFFT implementation on a single TESLA K80 GPU offers a 27.6X speedup relative to the serial version and a 5X speedup relative to the 22-multicore Intel Xeon CPU E5-2699 v4 @ 2.20 GHz version of the code.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Synergistic enhancement of iron oxide nanoparticle and gadolinium for dual-contrast MRI

Highlights: Black-Right-Pointing-Pointer MR contrast agents exert influence on T{sub 1} or T{sub 2} relaxation time of the surrounding tissue. Black-Right-Pointing-Pointer Combined use of iron oxide and Gd-DTPA can improve the sensitivity/specificity of lesion detection. Black-Right-Pointing-Pointer Dual contrast MRI enhances the delineation of tumor borders and small lesions. Black-Right-Pointing-Pointer The effect of DC-MRI can come from the high paramagnetic susceptibility of Gd{sup 3+}. Black-Right-Pointing-Pointer The effect of DC-MRI can also come from the distinct pharmacokinetic distribution of SPIO and Gd-DTPA. -- Abstract: Purpose: The use of MR contrast agents allows accurate diagnosis by exerting an influence on the longitudinal (T{sub 1}) or transverse (T{sub 2}) relaxation time of the surrounding tissue. In this study, we combined the use of iron oxide (IO) particles and nonspecific extracellular gadolinium chelate (Gd) in order to further improve the sensitivity and specificity of lesion detection. Procedures: With a 7-Tesla scanner, pre-contrasted, IO-enhanced and dual contrast agent enhanced MRIs were performed in phantom, normal animals, and animal models of lymph node tumor metastases and orthotopic brain tumor. For the dual-contrast (DC) MRI, we focused on the evaluation of T{sub 2} weighted DC MRI with IO administered first, then followed by the injection of a bolus of gadolinium diethylenetriamine pentaacetic acid (Gd-DTPA). Results: Based on the C/N ratios and MRI relaxometry, the synergistic effect of coordinated administration of Gd-DTPA and IO was observed and confirmed in phantom, normal liver and tumor models. At 30 min after administration of Feridex, Gd-DTPA further decreased T{sub 2} relaxation in liver immediately after the injection. Additional administration of Gd-DTPA also immediately increased the signal contrast between tumor and brain parenchyma and maximized the C/N ratio to -4.12 {+-} 0.71. Dual contrast MRI also enhanced the delineation of tumor borders and small lesions. Conclusions: DC-MRI will be helpful to improve diagnostic accuracy and decrease the threshold size for lesion detection.

60 APPLIED LIFE SCIENCES↗