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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 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Conditional Sixth-Harmonic Injection to Improve the Linear Modulation Range of Three-Phase Voltage-Source Converters

Overmodulation techniques are used to improve dc bus voltage utilization for three-phase voltage-source converters (VSCs), resulting in significant reduction in fundamental voltage gain. Conventional pulse width modulation (PWM) techniques for three-phase VSCs cannot enhance the linear range of dc bus utilization by more than 15.5%. Here, in this letter, a conditional sixth-harmonic injection technique is introduced, which can theoretically improve the linear modulation range by up to 19.2% for three-phase ac systems without additional hardware components. Experimental validation of the proposed scheme is presented, with its performance compared against the conventional third-harmonic PWM technique.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Structural Evolution in Hollandite Solid Solutions Across the A‐Site Compositional Range from Ba 1.33 Ga 2.66 Ti 5.34 O 16 to Cs 1.33 Ga 1.33 Ti 6.67 O 16

Hollandite solid solutions along the A‐site compositional range from the pure barium end‐member Ba 1.33 Ga 2.66 Ti 5.34 O 16 to the pure cesium end‐member Cs 1.33 Ga 1.33 Ti 6.67 O 16 have been synthesized using a solid‐state reaction technique. The crystal structure of the hollandite across the entire compositional range remained in the I 4 /m space group. Structural evolution was resolved by neutron diffraction, total scattering data, and density functional theory calculations. A trend of decreasing thermodynamic stability with smaller tunnel cations was attributed to increased structural distortion observed in the system. In addition, the tunnel cations' local environment was studied in the eightfold coordinated oxygen cavities. Local binding features of the tunnel cations reveals that the hollandite structure can strongly stabilize tunnel cations, even at elevated temperatures up to 500 K.

Xu, Yun↗
DOE OSTI2022

Effect of Thermal Expansion Coefficient, Viscosity and Melting Range in Simulation of PCM Embedded Heat Exchangers With and Without Fins

Phase change material heat exchangers (PCMHX) have an important role in integrating renewable energy systems. PCMHX can offer high storage density at various temperatures of interest and can be used for grid load shifting purposes. Numerical models enable engineers to estimate PCMHX performance for different design parameters and operating conditions. Modeling phase change phenomena is challenging due to the complex time-dependent nature of the process. The accuracy of models is highly sensitive to PCM thermo-physical properties. Thermal expansion coefficient (β), viscosity (μ) and melting temperature range (MR) of a PCM are important properties, especially when natural convection is not negligible. In PCMHX modeling, using less than accurate values for these properties can have significant impact on the simulation outcomes. These properties and discussions thereof are not readily available in the literature. This paper presents a brief review of the literature and a numerical study investigating the model sensitivity to the above-mentioned properties for PCMHX with and without fins. CFD is used to evaluate the charging (melting) phenomena. The study quantifies the impact of uncertainty in these properties on the melting rate and temperature profile. Constant wall temperature was considered as heat source with no heat loss to ambient. Here, the results show that β and μ has significant effect on the melting rate and evolution of the melting front. For a non-finned domain when comparing results for different published values of β and μ, the deviation in melting time can be up to 12.9% and 57.6% respectively. For high wall temperatures, change in melting range did not impact melting time. But when the wall temperature is reduced, up to 9.8% deviation in melting time is observed.

CFD↗
DOE OSTI2019

The role of material modeling on strain range estimation for elevated temperature cyclic life evaluation

High temperature nuclear reactors operating in the creep regime are designed to withstand numerous cyclic events. Current ASME code rules provide two basic paths for evaluating creep fatigue and ratcheting under these conditions; one based on full inelastic analysis intended to provide a representative stress and strain history and the other based on elastic material models with adjustments of varying complexity to account for inelastic stress and strain redistribution. More recent developments have used elastic-perfectly plastic analysis to bound the effects of cyclic service. However, these methods still rely on the separate evaluation of fatigue and creep damage utilizing a damage interaction diagram. There is a procedure under current development that uses creep-fatigue data from key feature test articles directly without the use of the damage interaction diagram. However, it requires a reasonable representation of the strain range in a structure as an input. This work develops a simplified procedure based on elastic perfectly-plasticity analysis that can be used to represent the strain range in a structure in the steady state under cyclic loading conditions.

Messner, M. C.↗
DOE OSTI2020

The Mertens Unrolled Network (MU-Net): A High Dynamic Range Fusion Neural Network for Through the Windshield Driver Recognition

Face recognition of vehicle occupants through windshields in unconstrained environments poses a number of unique challenges ranging from glare, poor illumination, driver pose and motion blur. In this paper, we further develop the hardware and software components of a custom vehicle imaging system to better overcome these challenges. After the build out of a physical prototype system that performs High Dynamic Range (HDR) imaging, we collect a small dataset of through-windshield image captures of known drivers. We then reformulate the classical Mertens-Kautz-Van Reeth HDR fusion algorithm as a pre-initialized neural network, which we name the Mertens Unrolled Network (MU-Net), for the purpose of fine-tuning the HDR output of through-windshield images. Reconstructed faces from this novel HDR method are then evaluated and compared against other traditional and experimental HDR methods in a pre-trained state-of-the-art (SOTA) facial recognition pipeline, verifying the efficacy of our approach.

Ruby, Max↗
DOE OSTI2014

Validation of a Monte Carlo model used for simulating tube current modulation in computed tomography over a wide range of phantom conditions/challenges

Purpose: Monte Carlo (MC) simulation methods have been widely used in patient dosimetry in computed tomography (CT), including estimating patient organ doses. However, most simulation methods have undergone a limited set of validations, often using homogeneous phantoms with simple geometries. As clinical scanning has become more complex and the use of tube current modulation (TCM) has become pervasive in the clinic, MC simulations should include these techniques in their methodologies and therefore should also be validated using a variety of phantoms with different shapes and material compositions to result in a variety of differently modulated tube current profiles. The purpose of this work is to perform the measurements and simulations to validate a Monte Carlo model under a variety of test conditions where fixed tube current (FTC) and TCM were used. Methods: A previously developed MC model for estimating dose from CT scans that models TCM, built using the platform of MCNPX, was used for CT dose quantification. In order to validate the suitability of this model to accurately simulate patient dose from FTC and TCM CT scan, measurements and simulations were compared over a wide range of conditions. Phantoms used for testing range from simple geometries with homogeneous composition (16 and 32 cm computed tomography dose index phantoms) to more complex phantoms including a rectangular homogeneous water equivalent phantom, an elliptical shaped phantom with three sections (where each section was a homogeneous, but different material), and a heterogeneous, complex geometry anthropomorphic phantom. Each phantom requires varying levels of x-, y- and z-modulation. Each phantom was scanned on a multidetector row CT (Sensation 64) scanner under the conditions of both FTC and TCM. Dose measurements were made at various surface and depth positions within each phantom. Simulations using each phantom were performed for FTC, detailed x–y–z TCM, and z-axis-only TCM to obtain dose estimates. This allowed direct comparisons between measured and simulated dose values under each condition of phantom, location, and scan to be made. Results: For FTC scans, the percent root mean square (RMS) difference between measurements and simulations was within 5% across all phantoms. For TCM scans, the percent RMS of the difference between measured and simulated values when using detailed TCM and z-axis-only TCM simulations was 4.5% and 13.2%, respectively. For the anthropomorphic phantom, the difference between TCM measurements and detailed TCM and z-axis-only TCM simulations was 1.2% and 8.9%, respectively. For FTC measurements and simulations, the percent RMS of the difference was 5.0%. Conclusions: This work demonstrated that the Monte Carlo model developed provided good agreement between measured and simulated values under both simple and complex geometries including an anthropomorphic phantom. This work also showed the increased dose differences for z-axis-only TCM simulations, where considerable modulation in the x–y plane was present due to the shape of the rectangular water phantom. Results from this investigation highlight details that need to be included in Monte Carlo simulations of TCM CT scans in order to yield accurate, clinically viable assessments of patient dosimetry.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2014

WE-F-16A-02: Design, Fabrication, and Validation of a 3D-Printed Proton Filter for Range Spreading

Purpose: To design, fabricate and test a 3D-printed filter for proton range spreading in scanned proton beams. The narrow Bragg peak in lower-energy synchrotron-based scanned proton beams can result in longer treatment times for shallow targets due to energy switching time and plan quality degradation due to minimum monitor unit limitations. A filter with variable thicknesses patterned on the same scale as the beam's lateral spot size will widen the Bragg peak. Methods: The filter consists of pyramids dimensioned to have a Gaussian distribution in thickness. The pyramids are 2.5mm wide at the base, 0.6 mm wide at the peak, 5mm tall, and are repeated in a 2.5mm pseudo-hexagonal lattice. Monte Carlo simulations of the filter in a proton beam were run using TOPAS to assess the change in depth profiles and lateral beam profiles. The prototypes were constrained to a 2.5cm diameter disk to allow for micro-CT imaging of promising prototypes. Three different 3D printers were tested. Depth-doses with and without the prototype filter were then measured in a ~70MeV proton beam using a multilayer ion chamber. Results: The simulation results were consistent with design expectations. Prototypes printed on one printer were clearly unacceptable on visual inspection. Prototypes on a second printer looked acceptable, but the micro-CT image showed unacceptable voids within the pyramids. Prototypes from the third printer appeared acceptable visually and on micro-CT imaging. Depth dose scans using the prototype from the third printer were consistent with simulation results. Bragg peak width increased by about 3x. Conclusions: A prototype 3D printer pyramid filter for range spreading was successfully designed, fabricated and tested. The filter has greater design flexibility and lower prototyping and production costs compared to traditional ridge filters. Printer and material selection played a large role in the successful development of the filter.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2014

TH-C-BRD-09: Successes and Limitations of Online Range Adaptive Spot Scanning Proton Therapy for NSCLC

Purpose: To determine the ability to adapt discrete spot-scanning proton therapy (SSPT) plans based on geometric changes of anatomy to minimize normal tissue dose and maintain target coverage. Methods: We developed and tested a range-correction algorithm to compensate for anatomy changes in SSPT with correction factors for target lateral size changes and energy scaling. This algorithm adjusts the energy of each spot from the original optimized treatment plan to match the new daily anatomy based on water equivalent path-length. To correct for the lateral target size changes, the peripheral spots were scaled based on phantom studies with variable target size. For energy change corrections, alternative cumulative scaling factor lookup tables were generated based on calculated central-axis and integral depth dose calculations for different energies. These various adaptive algorithms were performed on 7 lung cancer patients that were previously treated with proton therapy and who required at least one adaptive intervention. Single-field optimized SSPT plans were generated for these patients with clinical beam angles. Dose-volume histogram metrics were obtained for these patients for both the non-adaptive and the different adaptive plans applied to the last available weekly CT scan. Results: The doses to normal tissue were largely reduced for the spinal cord (Dmax), total lung (V20Gy), and contralateral lung (V20Gy) for all different methods of adaptive planning. With both corrections applied, the average changes for these metrics were −6.2Gy, −2.7%, and −4.9%, respectively. The same method generated unacceptably high target hot spots with average target V110% increase of 12.3%. Conclusion: Adaptive methods based on direct adjustments to proton range can reduce normal tissue doses under large anatomical changes but are insufficient in achieving clinically acceptable target doses and generate unacceptably sizeable hot spots. Adaptive planning methods for proton therapy will likely necessitate some aspect of reoptimization for acceptable clinical utility.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Development of a 3D optical scanning-based automatic quality assurance system for proton range compensators

Purpose: A new automatic quality assurance (AutoRCQA) system using a three-dimensional scanner (3DS) with system automation was developed to improve the accuracy and efficiency of the quality assurance (QA) procedure for proton range compensators (RCs). The system performance was evaluated for clinical implementation. Methods: The AutoRCQA system consists of a three-dimensional measurement system (3DMS) based on 3DS and in-house developed verification software (3DVS). To verify the geometrical accuracy, the planned RC data (PRC), calculated with the treatment planning system (TPS), were reconstructed and coregistered with the measured RC data (MRC) based on the beam isocenter. The PRC and MRC inner surfaces were compared with composite analysis (CA) using 3DVS, using the CA pass rate for quantitative analysis. To evaluate the detection accuracy of the system, the authors designed a fake PRC by artificially adding small cubic islands with side lengths of 1.5, 2.5, and 3.5 mm on the inner surface of the PRC and performed CA with the depth difference and distance-to-agreement tolerances of [1 mm, 1 mm], [2 mm, 2 mm], and [3 mm, 3 mm]. In addition, the authors performed clinical tests using seven RCs [computerized milling machine (CMM)-RCs] manufactured by CMM, which were designed for treating various disease sites. The systematic offsets of the seven CMM-RCs were evaluated through the automatic registration function of AutoRCQA. For comparison with conventional technique, the authors measured the thickness at three points in each of the seven CMM-RCs using a manual depth measurement device and calculated thickness difference based on the TPS data (TPS-manual measurement). These results were compared with data obtained from 3DVS. The geometrical accuracy of each CMM-RC inner surface was investigated using the TPS data by performing CA with the same criteria. The authors also measured the net processing time, including the scan and analysis time. Results: The AutoRCQA system accurately detected all fake objects in accordance with the given criteria. The median systematic offset of the seven CMM-RCs was 0.08 mm (interquartile range: −0.25 to 0.37 mm) and −0.08 mm (−0.58 to 0.01 mm) in the X- and Y-directions, respectively, while the median distance difference was 0.37 mm (0.23–0.94 mm). The median thickness difference of the TPS-manual measurement at points 1, 2, and 3 was −0.4 mm (−0.4 to −0.2 mm), −0.2 mm (−0.3 to 0.0 mm), and −0.3 mm (−0.6 to −0.1 mm), respectively, while the median difference of 3DMS was 0.0 mm (−0.1 to 0.2 mm), 0.0 mm (−0.1 to 0.3 mm), and 0.1 mm (−0.1 to 0.2 mm), respectively. Thus, 3DMS showed slightly better values compared to the manual measurements for points 1 and 3 in statistical analysis (p < 0.05). The average pass rate of the seven CMM-RCs was 97.97% ± 1.68% for 1-mm CA conditions, increasing to 99.98% ± 0.03% and 100% ± 0.00% for 2- and 3-mm CA conditions, respectively. The average net analysis time was 18.01 ± 1.65 min. Conclusions: The authors have developed an automated 3DS-based proton RC QA system and verified its performance. The AutoRCQA system may improve the accuracy and efficiency of QA for RCs.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2015

SU-E-T-189: Commission Range Shifter On a Spot Scanning Proton System Using Raystation Treatment Planning System

Purpose: To treat superficial target e.g. chest wall, head&neck or cranial cases, we commissioned two range shifter(RS) in Raystation4.0 with 7.37cm(RS1) and 4.1cm(RS2) Water Equivalent Thickness(WET) respectively. However, current beam model has limitations due to the secondary scattered proton. This study provides a detailed and critical commission data and provides suggestions for using RS in clinic. Methods: RS’ WET was verified by Multi-Layer Ionization Chamber from 120MeV to 226.7MeV before TPS modeling. Spot characteristics were measured using 2D scintillate detector at ISO with different air gap. A 8×8×10cm3 cube is created in 8cm depth of water to verify the absolute dose accuracy. Plans were created with different air gap using both RS. Absolute dose verification was measured along the central axis from distal end to surface using PPC05. 10 clinical RS2 plans were measured using MatriXXPT in 3 planes (proximal, distal and midSOBP). Results: RS material’s proton stopping power is energy dependent(from 70MeV to 226.7MeV) ranging from 7.42 to 7.31cm and from 4.10 to 4.03cm respectively. We chose 7.37cm (RS1) and 4.10cm (RS2) to favor the low and median proton energy. With different air gap(3cm to 32cm), spot size expands from 3.2mm to 5.5mm(RS1) and from 3.1mm to 4.1mm(RS2) respectively(226.7MeV in air, 1-sigma). For the absolute dose verification, the larger air gap and shallower depth causes larger discrepancy between TPS and measurements. All 10 clinical plans with 5–10cm air gap passed gamma index 95% with 3%/3mm criteria and outputs differences were within 3%. Conclusion: We strongly recommend each institution to verify the WET independently and choose the value to fit the clinical needs. To minimize the output difference in Raystation4.0 while avoid potential collision to the patient, we recommend to use 5–10cm air gap to minimize the output difference within 2% and preferably use RS with smaller WET if possible.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

MO-F-CAMPUS-J-03: Development of a Human Brain PET for On-Line Proton Beam-Range Verification

Purpose: To develop a prototype PET for verifying proton beam-range before each fractionated therapy that will enable on-line re-planning proton therapy. Methods: Latest “edge-less” silicon photomultiplier arrays and customized ASIC readout electronics were used to develop PET detectors with depth-of-interaction (DOI) measurement capability. Each detector consists of one LYSO array with each end coupled to a SiPM array. Multiple detectors can be seamlessly tiled together to form a large detector panel. Detectors with 1.5×1.5 and 2.0×2.0 mm crystals at 20 or 30 mm lengths were studied. Readout of individual SiPM or signal multiplexing was used to transfer 3D interaction position-coded analog signals through flexible-print-circuit cables or PCB board to dedicated ASIC front-end electronics to output digital timing pulses that encode interaction information. These digital pulses can be transferred to, through standard LVDS cables, and decoded by a FPGA-based data acquisition of coincidence events and data transfer. The modular detector and scalable electronics/data acquisition will enable flexible PET system configuration for different imaging geometry. Results: Initial detector performance measurement shows excellent crystal identification even with 30 mm long crystals, ∼18% and 2.8 ns energy and timing resolutions, and around 2–3 mm DOI resolution. A small prototype PET scanner with one detector ring has been built and evaluated, validating the technology and design. A large size detector panel has been fabricated by scaling up from modular detectors. Different designs of resistor and capacitor based signal multiplexing boards were tested and selected based on optimal crystal identification and timing performance. Stackable readout electronics boards and FPGA-based data acquisition boards were developed and tested. A brain PET is under construction. Conclusion: Technology of large-size DOI detector based on SiPM array and advanced readout has been developed. PET imaging performance and initial phantom studies of on-line proton beam-range measurement will be conducted and reported. NIH grant R21CA187717; Cancer Prevention and Research Institute of Texas grant RP120326.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

WE-EF-303-03: A New Aperture-Based Imaging System for Prompt-Gamma Range Verification of Proton Beam Therapy

Purpose: To develop and characterize a novel aperture-based imaging system for high-energy gamma-rays. This collimated system will provide 2-dimensional imaging capability for verification of proton beam range and Bragg peak dose via prompt-gamma detection. Methods: A multi-knife-edge slit collimator has been designed, constructed, and characterized via simulations and experimental measurements. The 20×20×7.5 cm{sup 3} tungsten collimator and accompanying LSO scintillation detector were simulated using the TOPAS Geant4 -based Monte Carlo package. Iterative reconstruction methods were combined with point response functions to characterize the imaging performance of the system. The response of the system has begun to be characterized experimentally as well, using 2.6 MeV gamma-rays from Th-228. Results: Both simulation and experimental results indicate that this collimated system provides 2-D imaging capability in the energy range of interest for prompt-gamma dose verification. In the current configuration, with collimator to source distance of 13 cm, image reconstruction of point sources resulted in spatial resolution (FWHM) of approximately 4 mm in both x-and y-directions in the imaging plane. The accuracy of positioning the point sources is less than 1 mm. Conclusion: This work has characterized, via simulation and measurements, a novel multi-knife-edge slit collimator in front of a more conventional position-sensitive LSO scintillator detector. The multi-slit pattern is designed to increase detection efficiency and provide spatial information in 2-dimensions -- an improvement over a single-slit collimator design. The thickness and density of the collimator will allow this detection system to perform well in an environment with high gamma flux, while ultimately providing peak determination accuracy on the order of 1 mm. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number: DE-NA0000979 through the Nuclear Science and Security Consortium.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-T-406: Verification of Total Body Irradiation Commissioned MU Lookup Table Accuracy Using Treatment Planning System for Wide Range of Patient Sizes

Purpose: To verify the accuracy of total body irradiation (TBI) measurement commissioning data using the treatment planning system (TPS) for a wide range of patient separations. Methods: Our institution conducts TBI treatments with an 18MV photon beam at 380cm extended SSD using an AP/PA technique. Currently, the monitor units (MU) per field for patient treatments are determined using a lookup table generated from TMR measurements in a water phantom (75 × 41 × 30.5 cm3). The dose prescribed to an umbilicus midline point at spine level is determined based on patient separation, dose/ field and dose rate/MU. One-dimensional heterogeneous dose calculations from Pinnacle TPS were validated with thermoluminescent dosimeters (TLD) placed in an average adult anthropomorphic phantom and also in-vivo on four patients with large separations. Subsequently, twelve patients with various separations (17–47cm) were retrospectively analyzed. Computed tomography (CT) scans were acquired in the left and right decubitus positions from vertex to knee. A treatment plan for each patient was generated. The ratio of the lookup table MU to the heterogeneous TPS MU was compared. Results: TLD Measurements in the anthropomorphic phantom and large TBI patients agreed with Pinnacle calculated dose within 2.8% and 2%, respectively. The heterogeneous calculation compared to the lookup table agreed within 8.1% (ratio range: 1.014–1.081). A trend of reduced accuracy was observed when patient separation increases. Conclusion: The TPS dose calculation accuracy was confirmed by TLD measurements, showing that Pinnacle can model the extended SSD dose without commissioning a special beam model for the extended SSD geometry. The difference between the lookup table and TPS calculation potentially comes from lack of scatter during commissioning when compared to extreme patient sizes. The observed trend suggests the need for development of a correction factor between the lookup table and TPS dose calculations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

TH-CD-201-10: Highly Efficient Synchronized High-Speed Scintillation Camera System for Measuring Proton Range, SOBP and Dose Distributions in a 2D-Plane

Purpose: Proton therapy (PT) delivery is complex and extremely dynamic. Therefore, quality assurance testing is vital, but highly time-consuming. We have developed a High-Speed Scintillation-Camera-System (HS-SCS) for simultaneously measuring multiple beam characteristics. Methods: High-speed camera was placed in a light-tight housing and dual-layer neutron shield. HS-SCS is synchronized with a synchrocyclotron to capture individual proton-beam-pulses (PBPs) at ∼504 frames/sec. The PBPs from synchrocyclotron trigger the HS-SCS to open its shutter for programmed exposure-time. Light emissions within 30×30×5cm3 plastic-scintillator (BC-408) were captured by a CCD-camera as individual images revealing dose-deposition in a 2D-plane with a resolution of 0.7mm for range and SOBP measurements and 1.67mm for profiles. The CCD response as well as signal to noise ratio (SNR) was characterized for varying exposure times, gains for different light intensities using a TV-Optoliner system. Software tools were developed to analyze ∼5000 images to extract different beam parameters. Quenching correction-factors were established by comparing scintillation Bragg-Peaks with water scanned ionization-chamber measurements. Quenching corrected Bragg-peaks were integrated to ascertain proton-beam range (PBR), width of Spared-Out-Bragg-Peak (MOD) and distal.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2018

Digital acoustic sensor performance across the infrasound range in non-isolated conditions

The next generation of acoustic sensors is emerging to supplement legacy sensors traditionally used in regional and global networks. These devices operate under similar principles as traditional sensors, without the need of a separate external digitizer. The calibration of these sensors against their predecessors is crucial to the modernization of conventional technologies. This work describes the characterization of the next-generation MB3 digital microbarometer and the iPrecision smartphone microphone in a non-isolated calibration room across the infrasound (i.e., 0.01–20 Hz) range. The intent is to evaluate nominal instrument performance before deployment. A portable rotary subwoofer is used as a controllable infrasound source to generate single-tone sinusoidal and broadband noise pressure waves in a room configured for calibration purposes. For each device, comparison measurements are made, from which the digital sensitivity and the parametric response is developed. The results provide insight into the performance of the sensors in non-isolated environments. By overlapping the responses of the test sensors, digital sensor performance across the infrasound range can be benchmarked. These responses may serve as a double-reference scheme in future pressure measurements and digital calibrations of acoustic sensors.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Optical Constants of an Apatite Single Crystal in the IR Range of 6–28 μm

On the basis of polarized IR-reflection spectra in the range of 5000–350 cm{sup –1} measured from the natural face of an optically transparent fluorapatite single crystal, components of a complex refractive index (optical constants) for radiation-vector orientations E ‖ c and E ⊥ c have been calculated by the Kramers–Kronig method. The fluorapatite single crystal has been chosen from several samples: it contains a minimum amount of impurities and has a high degree of crystallinity in accordance with the criteria of IR spectroscopy and Raman spectroscopy. Tabular data on optical constants for ordinary and extraordinary rays are given for the IR range of 6–28 μm. The obtained absorption spectra are compared with the results of quantum-chemical ab initio calculations within the B3LYP simulation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Short-range order and dynamics of atoms in liquid gallium

The features of the microscopic structure, as well as one-particle and collective dynamics of liquid gallium in the temperature range from T = 313 to 1273 K, are studied on the p = 1.0 atm isobar. Detailed analysis of the data on diffraction of neutrons and X-rays, as well as the results of atomic dynamics simulation, lead to some conclusions about the structure. In particular, for preset conditions, gallium is in the equilibrium liquid phase showing no features of any stable local crystalline clusters. The pronounced asymmetry of the principle peak of the static structure factor and the characteristic “shoulder” in its right-hand part appearing at temperatures close to the melting point, which are clearly observed in the diffraction data, are due to the fact that the arrangement of the nearest neighbors of an arbitrary atom in the system is estimated statistically from the range of correlation length values and not by a single value as in the case of simple liquids. Compactly located dimers with a very short bond make a significant contribution to the statistics of nearest neighbors. The temperature dependence of the self-diffusion coefficient calculated from atomic dynamics simulation agrees well with the results obtained from experimental spectra of the incoherent scattering function. Interpolation of the temperature dependence of the self-diffusion coefficient on a logarithmic scale reveals two linear regions with a transition temperature of about 600 K. The spectra of the dynamic structure factor and spectral densities of the local current calculated by simulating the atomic dynamics indicate the existence of acoustic vibrations with longitudinal and transverse polarizations in liquid gallium, which is confirmed by experimental data on inelastic scattering of neutrons and X-rays. It is found that the vibrational density of states is completely reproduced by the generalized Debye model, which makes it possible to decompose the total vibrational motion into individual contributions associated with the formation of acoustic waves with longitudinal and transverse polarizations. Comparison of the heights of the low-frequency component and of the high-frequency peak in the spectral density of vibrational states also indicates a temperature of T ≈ 600 K, at which the diffusion type of one-particle dynamics changes to the vibrational type upon a decrease in temperature. It is demonstrated that the modified Einstein–Stokes relation can be derived using the generalized Debye model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Pb{sub 1–x}Eu{sub x}Te alloys (0 ⩽ x ⩽ 1) as materials for vertical-cavity surface-emitting lasers in the mid-infrared spectral range of 4–5 μm

The optical properties of epitaxial layers and heterostructures based on Pb{sub 1–x}Eu{sub x}Te alloys (0 ⩽ x ⩽ 1) are analyzed in the context of designing Bragg mirrors and vertical-cavity surface-emitting lasers for the midinfrared spectral range. It is shown that the optimal heteropair for laser microcavities is Pb{sub 1–x}Eu{sub x}Te(x ≈ 0.06)/EuTe. On the basis of this heteropair, highly reflective Bragg mirrors consisting of just three periods and featuring a reflectance of R ⩾ 99.8% at the center of the stop band are grown by molecular-beam epitaxy on BaF{sub 2} (111) substrates. Single-mode optically pumped vertical-cavity surface-emitting lasers for the 4–5 μm spectral range operating at liquid-nitrogen temperatures are demonstrated.

36 MATERIALS SCIENCE↗