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Low-diffusion Xe-He gas mixtures for rare-event detection: electroluminescence yield

High pressure xenon Time Projection Chambers (TPC) based on secondary scintillation (electroluminescence) signal amplification are being proposed for rare event detection such as directional dark matter, double electron capture and double beta decay detection. The discrimination of the rare event through the topological signature of primary ionisation trails is a major asset for this type of TPC when compared to single liquid or double-phase TPCs, limited mainly by the high electron diffusion in pure xenon. Helium admixtures with xenon can be an attractive solution to reduce the electron diffusion significantly, improving the discrimination efficiency of these optical TPCs. We have measured the electroluminescence (EL) yield of Xe-He mixtures, in the range of 0 to 30% He and demonstrated the small impact on the EL yield of the addition of helium to pure xenon. For a typical reduced electric field of 2.5 kV/cm/bar in the scintillation region, the EL yield is lowered by ~ 2%, 3%, 6% and 10% for 10%, 15%, 20% and 30% of helium concentration, respectively. This decrease is less than what has been obtained from the most recent simulation framework in the literature. The impact of the addition of helium on EL statistical fluctuations is negligible, within the experimental uncertainties. The present results are an important benchmark for the simulation tools to be applied to future optical TPCs based on Xe-He mixtures.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Temperature dependence of heavy quark diffusion from (2+1)-flavor lattice QCD

We present a lattice determination of the heavy-quark diffusion coefficient in (2+1)-flavor QCD with almost physical quark masses. The momentum and spatial diffusion coefficients are extracted for a wide temperature range, from T = 163 MeV to 10 GeV. The results are in agreement with previous works from the HotQCD collaboration, and show fast thermalization of the heavy quark inside the QGP. Near the chiral crossover temperature T c ≃ 150 MeV, our results are close to the AdS/CFT estimation computed at strong coupling.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Improving preoperative detection of synchronous liver metastases in pancreatic cancer with combined contrast-enhanced and diffusion-weighted MRI

Purpose: To explore the value of gadolinium-enhanced MRI combined with diffusion-weighted MRI (Gd-enhanced MRI with DWI) in addition to contrast-enhanced CT (CECT) for detection of synchronous liver metastases for potentially resectable pancreatic cancer. Methods: By means of a retrospective cohort study we included patients with potentially resectable pancreatic cancer on CECT, who underwent Gd-enhanced MRI with DWI between January 2012 and December 2016. A single observer evaluated MRI and CT and was blinded to imaging, pathology, and surgery reports. Liver lesions were scored in both modalities, using a 3-point scale: 1-benign, 2-indeterminate, 3- malignant (i.e., metastasis). The primary outcome parameters were the presence of liver metastases on Gd-enhanced MRI with DWI and the sensitivity of Gd-enhanced MRI with DWI for synchronous liver metastases. Results: We included 66 patients (42 men, 24 women; median age 65 years, range 36–82 years). In 19 patients, liver metastases were present, which were confirmed by histopathology (n = 12), {sup 18}FDG-PET (n = 6), or surgical inspection (n = 1). Gd-enhanced MRI with DWI showed metastases in 16/19 patients (24%), which resulted in a sensitivity of 84% (95% CI 60–97%). Contrast-enhanced MRI showed 156 and DWI 397 metastases (p = 0.051), and 339 were particularly small (< 5 mm). Conclusions: In this study, Gd-enhanced MRI with DWI detected synchronous liver metastases in 24% of patients with potentially resectable pancreatic cancer on CECT with a sensitivity of 84%. Diffusion-weighted MRI showed a greater number of metastases than any other sequence, particularly small metastases (< 5 mm).

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Locally advanced rectal cancer: qualitative and quantitative evaluation of diffusion-weighted magnetic resonance imaging in restaging after neoadjuvant chemo-radiotherapy

Purpose: To determine the added value of qualitative and quantitative evaluation of diffusion-weighted magnetic resonance imaging (DWI) in locally advanced rectal cancer (LARC) restaging after neoadjuvant chemo-radiotherapy (CRT). Materials and Methods: A retrospective study was performed of 21 patients with LARC treated with CRT. All patients were evaluated with 1.5 T conventional magnetic resonance imaging (MRI) and DWI (0–1000 s/mm²) before starting therapy and after neoadjuvant CRT. All included patients underwent surgery after CRT: the histopathological evaluation of surgical specimens represented the reference standard for local staging after neoadjuvant therapy. The qualitative analysis was carried out by two operators in consensus, who reviewed the conventional MR image set [T1-weighted and T2-weighted morphological sequences + dynamic contrast-enhanced sequences (DCE)] and the combined set of conventional and DW images. For the quantitative analysis, the apparent diffusion coefficient (ADC) values were measured at each examination. For each lesion, the mean ADC value (ADCpre and ADCpost) and the ΔADC (ADCpost – ADCpre) were calculated, and values of the three groups of response [complete response (pCR), partial response (pPR), stable disease (pSD)] were compared. Results: In LARC restaging, conventional MRI showed a sensitivity of 80% and a specificity of 50%, with a total diagnostic capacity of 71.40%, while by adding DWI sensitivity increased to 100%, specificity to 67%, and total diagnostic capacity to 90.40%. ΔADC correlates with treatment response and a cutoff of 1.35 × 10{sup −3} mm²/s predicts the pCR with a sensitivity of 93.3% and a specificity of 83.3%. Conclusions: Adding DWI to conventional sequences may improve MRI capability to evaluate tumor response to CRT. The quantitative DWI assessment is promising, but larger studies are required.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Transarterial Radioembolization Following Chemoembolization for Unresectable Hepatocellular Carcinoma: Response Based on Apparent Diffusion Coefficient Change is an Independent Predictor for Survival

PurposeTo evaluate whether response based on contrast-enhanced magnetic resonance imaging (MRI) and apparent diffusion coefficient (ADC) change at diffusion-weighted MRI after transarterial radioembolization (TARE) can predict survival, in patients with prior transarterial chemoembolization with drug-eluting beads (DEB-TACE) for hepatocellular carcinoma (HCC).MethodsWe identified all patients who received DEB-TACE prior to TARE for HCC between 2007 and 2016. Response on MRI was determined by modified RECIST (mRECIST) and ADC change relative to pre-TARE imaging (ADCratio). Kaplan–Meier and log-rank tests were used to correlate the response/disease and treatment variables to overall survival. Multivariable Cox regression models were used to correct for confounders.ResultsA total of 29 consecutive patients were included. Univariable analysis showed that response determined by mRECIST was a nonsignificant predictor of survival (p = 0.057), and response determined by ADCratio was a significant predictor of survival (p = 0.011). Number of prior DEB-TACE procedures (p = 0.037), female gender (p < 0.001) and BCLC C (p = 0.03) were related to worse survival. The number of prior DEB-TACE procedure was significantly higher in non-responders determined by ADCratio (p = 0.028). Multivariable analyses showed that response based on ADCratio was an independent predictor of survival (p = 0.041).ConclusionADCratio following TARE is an independent predictor for survival in patients who previously underwent DEB-TACE for HCC.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Early Embolization After Carotid Artery Stenting with Mesh-Covered Stent: Role of Diffusion-Weighted Magnetic Resonance Imaging as Pre-procedural Predictor and Discriminant Between Intra- and Post-procedural Events

Objectives: To evaluate the incidence and the time of onset of early micro-embolism after CAS (carotid artery stenting) with two different mesh-covered stents and to assess the role of DW-MRI (Diffusion-weighted magnetic resonance imaging) in their prediction. Methods: Single-institution prospective study including 50 patients (33 male, median age 74 years) who underwent CAS with Roadsaver{sup ®} or CGuard™. All patients with primary stenosis (37/50, 74%) had carotid plaque DW-MRI pre-procedure, with both qualitative evaluation of the hyperintensity and ADC (apparent diffusion coefficient) measurement of the plaque. All patients had brain DW-MRI pre-procedure, at 1 h, 24 h and 30 days post-procedure to evaluate the appearance of hyperintense lesions over time. Imaging analysis was performed in a double-blinded fashion by two radiologists. Results: There were no statistically significant differences between the two stents both in the incidence at 1 h (P = 0.23) and 24 h (P = 0.36) and in the volume of new DWI hyperintense brain lesions at 24 h (P = 0.27). Thirty-four new asymptomatic lesions in 19 patients (38%) were reported: 4 (11.8%) at 1 h, 30 (88.2%) at 24 h. The 30-day DWI-MR showed complete resolution of all lesions and no evidence of new lesion. The incidence of new lesions at 24 h resulted significantly higher in patients with DWI hyperintense carotid plaques (12/16, 75% vs. 0/21, 0%, P < 0.0001). This result was paralleled by the difference in ADC value (0.83 ± 0.21 vs. 1.42 ± 0.52). Conclusion: The majority of early asymptomatic brain lesion occurred during the first 24 h after CAS. Pre-procedure high DWI signal of the plaque was associated with an increased incidence of post-procedure microembolizations.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Effect of Heat Treatment on Madagascar Dravite Tourmaline: UV-Visible and Diffuse Reflectance Infrared Spectroscopic Characterization

The color change and chemical behavior of Madagascar dravite when subjected to heating in air atmosphere were studied by energy-dispersive X-ray fluorescence spectrometry, UV-visible (UV-vis) spectroscopy and diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy. Heat treatment was performed with temperatures of 500, 600, and 700°C for 2 h. Colors and color differences were measured and evaluated using CIELAB color measurement. The origin of color and its change after treatment are assessed via UV-vis spectra. The diffuse reflectance infrared spectra of the dravites revealed major absorption bands of OH, BO{sub 3}, Si{sub 6}O{sub 18}, and R–OH (where R = Fe, Mg). The variation of infrared spectra with increasing temperature indicates the deformation of R–OH bonds in an octahedron and, further, the deformation of BO{sub 3} and Si{sub 6}O{sub 18}. The results of color change may be utilized to enhance the color or clarity in dravite tourmaline and for generating satisfactory color.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Green Emitting Cerium Doped CaS Whiskers Grown by Solid State Diffusion Method

Undoped and cerium doped Calcium sulfide (CaS) phosphors were synthesized using solid state diffusion method. The X-ray diffraction pattern revealed that both undoped and doped CaS crystallites have cubic structure with average crystallite size varying from 20 to 30 nm. Scanning electron micrographs indicated that Ce doped CaS phosphors were composed of whiskers with different dimensions and orientations. The optical properties of undoped and Ce doped particles were characterized using Photoluminescence (PL) and UV-Vis absorption spectroscopy. The PL emission spectrum of cerium doped CaS phosphors for an excitation wavelength 465 nm showed a main peak at 500 nm and a shoulder peak at 556 nm due to 5d → 4f transition in Ce{sup 3+} ions. The variation of PL intensity with cerium concentration was investigated and the maximum PL intensity was obtained for a doping concentration of 3 wt.%. The optical band gap of the samples was estimated from the diffuse reflectance spectrum and was found to increase with increase in cerium concentration. The enhanced optical properties of these phosphors can be exploited in various optoelectronic devices including displays and bioimaging techniques.

36 MATERIALS SCIENCE↗

Nonoverlapping Localized Exponential Time Differencing Methods for Diffusion Problems

In this paper, we propose nonoverlapping localized exponential time differencing (ETD) methods for diffusion problems. The model time-dependent diffusion equation is first reformulated on subdomains based on the nonoverlapping domain decomposition, in which Neumann boundary conditions are imposed on the interfaces for the subdomain problems and Dirichlet type conditions are enforced to form a space-time interface problem. After spatial discretization by standard central finite differences and temporal integration with the first or second order ETD methods, the fully discrete interface problem is obtained. Such an interface problem is then solved iteratively either at each time step or over the whole time interval: the former involves the solution of stationary problems in each subdomain at each iteration while the latter involves the solution of time-dependent subdomain problems at each iteration. For both approaches, we prove that localized ETD solutions conserve mass exactly and converge in time to the exact space semidiscrete solution. Numerical experiments in two dimensions are also presented to illustrate the performance of the proposed methods.

Mass conservation↗

Diffusion-driven GaInP/GaAs light-emitting diodes enhanced by modulation doping

Diffusion-driven charge transport (DDCT) in III–V light-emitting diodes (LEDs) can enable unconventional optoelectronic devices and functionality by fundamentally changing device design and the current injection principle. In our recent study, an AlGaAs/GaAs DDCT–LED consisting of an array of lateral heterojunctions was studied for large-area applications at high powers. Here, we investigate the current spreading and recombination uniformity of a modulation doped GaInP/GaAs DDCT–LED. In particular, we analyze how the background doping of the lower GaInP cladding layer (CL) and the GaAs substrate changes the carrier distribution within the active region of the device. Our charge transport simulations based on the drift-diffusion current and continuity equations predict that modulation doping by a p-doped CL provides much higher recombination uniformity at high powers compared to an n-doped CL. Most importantly, improved current spreading is achieved while maintaining excellent device performance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Diffusion Bonding of TiAl to Ti6Al4V Using Nanolayers

Microstructural characterization of TiAl to Ti6Al4V dissimilar diffusion bonds assisted by reactive Ni/Al nanolayers was performed in this study. The nanolayers (alternated Al and Ni) were deposited onto the base material surfaces. Diffusion bonding was performed at 700 and 800 °C under pressures from 5 to 40 MPa and dwell times between 60 and 180 min. Microstructural characterization was performed using high-resolution transmission and scanning electron microscopies. The observations revealed that dissimilar TiAl to Ti6Al4V joints assisted by Ni/Al reactive nanolayers can be obtained successfully at 800 °C during 60 min using a pressure of 20 MPa. The bond interface is thin (less than 10 µm) and is mainly composed of NiAl grains. Thin layers of Al-Ni-Ti intermetallic compounds were formed adjacent to the base materials.

36 MATERIALS SCIENCE↗

Influence of Effective Physical Contact Area on Microstructure and Mechanical Properties of Diffusion-Bonded TC4/1060Al Joints

In the present study, dissimilar TC4 alloy and 1060Al alloy were successfully diffusion-bonded at a very low temperature about 410 °C by improving the effective physical contact area. A sound joint with a crack-free interface and a high shear strength (128 MPa) is obtained with a combination of TC4 surface roughness of 109.90 μm (S{sub a}) and 1060Al surface roughness of 101.43 μm (S{sub a}), and customized parallel surface scratches. Under this condition, the two parent metals share the largest contact area during the physical contact stage of diffusion bonding process, which is consistent with the theoretical calculation. The results show that no Ti-Al binary intermetallic compounds are observed at the interface of the joints. The maximum shear strength of the joint reaches 128 MPa with optimized bonding parameters (410 °C for 120 min with a pressure of 20 MPa), which is higher than the shear strength of 1060Al (80 MPa) base metal. The fractography analysis indicates the joints failed with a ductile fracture at the 1060Al side.

36 MATERIALS SCIENCE↗

Convection Effects During Bulk Transparent Alloy Solidification in DECLIC-DSI and Phase-Field Simulations in Diffusive Conditions

In order to study the dynamical formation and evolution of cellular and dendritic arrays under diffusive growth conditions, three-dimensional (3D) directional solidification experiments were conducted in microgravity on a model transparent alloy onboard the International Space Station using the Directional Solidification Insert in the DEvice for the study of Critical LIquids and Crystallization. Selected experiments were repeated on Earth under gravity-driven fluid flow to evidence convection effects. Both radial and axial macrosegregation resulting from convection are observed in ground experiments, and primary spacings measured on Earth and microgravity experiments are noticeably different. The microgravity experiments provide unique benchmark data for numerical simulations of spatially extended pattern formation under diffusive growth conditions. The results of 3D phase-field simulations highlight the importance of accurately modeling thermal conditions that strongly influence the front recoil of the interface and the selection of the primary spacing. The modeling predictions are in good quantitative agreements with the microgravity experiments.

36 MATERIALS SCIENCE↗

A front-fixing finite element method for pricing American options under regime-switching jump-diffusion models

A front-fixing finite element method is applied to solve the partial integro-differential equations (PIDEs) arising in pricing American options under Markov-modulated jump-diffusion models with the free boundaries feature. For this purpose, we used a front-fixing method to transform the pricing problem into a nonlinear parabolic integro-differential equation on a fixed domain. Then the variational form of the resulting problem is solved by a finite element method. Under some appropriate assumptions, we establish the stability of the method and illustrate some numerical results to examine the rate of convergence of the proposed method for the pricing problem and compare its accuracy to some recent works on pricing American options under regime-switching jump-diffusion models.

97 MATHEMATICS AND COMPUTING↗

Microscopic diffusion in hydrated encysted eggs of brine shrimp

We have studied microscopic diffusion of water in fully hydrated encysted eggs of brine shrimp (Artemia). We utilized quasielastic neutron scattering. Dry eggs of brine shrimp were rehydrated using (1) water without additives, (2) eutectic mixture of water and dimethyl sulfoxide, and (3) a concentrated aqueous solution of lithium chloride. Despite the complexity of the hydrated multicellular organism, measurable microscopic diffusivity of water is rather well defined. Pure hydration water in eggs exhibits freezing temperature depression, whereas hydration water in eggs mixed with dimethyl sulfoxide or lithium chloride does not crystallize at all. The characteristic size of the voids occupied by water or aqueous solvents in hydrated brine shrimp eggs is between 2 and 10 nm. Those voids are accessible to co-solvents such as dimethyl sulfoxide and lithium chloride. There is no evidence of intracellular water in the hydrated eggs. The lack of intracellular water in the fully hydrated (but still under arrested development) state must be linked to the unique resilience against adverse environmental factors documented not only for the anhydrous, but also hydrated encysted eggs of brine shrimp.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling diffusion and types I-V sorption of water vapor in heterogeneous systems

Here, a sorption and diffusion model is developed using a mobile-immobile decomposition of the vapor concentration. Henry’s mode represents the mobile species which diffuses through the solid, while Langmuir and pooling modes represent possible immobilization processes that cause nonlinearities in sorption capacity. The model can simulate the five classical sorption types and can incorporate additional dynamics compared to models based on thermodynamic equilibrium. Additionally, the framework allows for discontinuities in material properties encountered in multi-material systems. The resulting non-linear coupled equations are solved by employing a finite element method to discretize in space, and a backward Euler method to discretize in time. The discretized system of equations is solved via a Newton-type iteration scheme at each time-step. Four different materials are parameterized for the model, which are then used in examples to demonstrate the model’s ability to capture complex sorption processes in multi-material systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dielectric-barrier-discharge plasma-assisted hydrogen diffusion flame. Part 1: Temperature, oxygen, and fuel measurements by one-dimensional fs/ps rotational CARS imaging

One-dimensional hybrid fs/ps CARS imaging provides single-laser-shot measurements of temperature, oxygen, and hydrogen in a plasma-assisted hydrogen diffusion flame. The coaxial dielectric-barrier-discharge burner collapses the Re ~50 hydrogen diffusion flame to within ~5 mm of the burner surface at an applied AC potential of 8.75 kV at 18 kHz, coinciding nicely with the full spatial extent of the 1D CARS measurements. Translating the burner through the measurement volume allowed for measurements at numerous radial locations in increments of 1 mm with a resolution of 140 µm × 30 µm × 600 µm, sufficient to resolve spatial gradients in this unsteady flame. Longer probe delays, required for improved dynamic range in regions of high temperature fluctuations, proved difficult to model as a result of a nontrivial decay in the O 2 Raman coherence arising from complexities associated with the triplet ground electronic state of the O 2 molecule. Oxygen linewidths were treated empirically using the observed O 2 coherence decay in spectra acquired from the product gases of lean, near-adiabatic H 2 /air flames stabilized on a Hencken flat-flame burner. While still leading to errors up to 10% at worst, the empirically determined Raman linewidth factors eliminated any systematic error in the O 2 /N 2 measurements with probe delay. Temperature measurements in the Hencken Burner flames proved to be insensitive to probe pulse delay, providing robust thermometry. Here, demonstration of this technique in both the canonical Hencken burner flames and a new DBD burner validates its effectiveness in producing multiple spatially resolved measurements in combustion environments. Measurements in the DBD burner revealed an unsteady, counterflow flattened flame structure near the fuel orifice which became unsteady as the reaction zone curves towards the surface for larger radial positions. Lastly, fluctuations in the fuel concentration were largest at the source, as the large, plasma-generated, unsteady external toroidal vortex that dominates the transport in this flame provides enhanced ventilation of the flame surface in close proximity to the fuel tube.

42 ENGINEERING↗

Structure and behavior of water-laden CH 4 /air counterflow diffusion flames

A counterflow configuration was used to measure thermal and species structure in water-vapor diluted nonpremixed methane–air flames. The motivation is to understand the chemical and thermal effects that water has when it is introduced as a diluent into the fuel side. Here, this work is relevant to combustion processes where water is incorporated naturally in the fuel; e.g., methane hydrates, and when water is added intentionally for emission reduction such as in flares and H 2 O/fuel emulsions combustion. Experimental data are compared to 1-D computations. The agreement is generally very good, but the one dimensional counterflow diffusion model overpredicts flame temperature and major radical, OH, concentration very near extinction in highly diluted H 2 O–methane/air diffusion flames. Changes in flame position, flame width, and peak temperature with the addition of water were measured. Flame temperatures were measured with thin filament pyrometry. OH-PLIF is used to characterize the flame reaction zone with water dilution; the OH distribution, flame position and thickness from the OH-PLIF images were measured. The results show that the OH intensity and reaction zone thickness decreases with the increase in water. Predictions and experiments demonstrate that water mainly acts thermally to lower the flame temperature until extinction. The OH maximum intensity shifts towards the air side of the counterflow burner with water addition. OH is also measured with CO 2 dilution of the fuel stream, and the results are compared with H 2 O addition, including comparisons with the OH molar peak predictions obtained using the GRI 3.0 mechanism and the CHEMKIN Pro one dimensional counterflow model. The study indicates that water’s chemical effects are to change the production and depletion of OH, H and O radicals, especially near extinction. Chemical kinetics simulation of the flame demonstrates good agreement in OH and flame temperatures over a wide range of dilution away from extinction, particularly for CO 2 . Lastly, an over prediction of the water carrying capacity near extinction is found for highly water-diluted flames.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗