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DOE OSTI2024

DiffLense: a conditional diffusion model for super-resolution of gravitational lensing data

Abstract Gravitational lensing data is frequently collected at low resolution due to instrumental limitations and observing conditions. Machine learning-based super-resolution techniques offer a method to enhance the resolution of these images, enabling more precise measurements of lensing effects and a better understanding of the matter distribution in the lensing system. This enhancement can significantly improve our knowledge of the distribution of mass within the lensing galaxy and its environment, as well as the properties of the background source being lensed. Traditional super-resolution techniques typically learn a mapping function from lower-resolution to higher-resolution samples. However, these methods are often constrained by their dependence on optimizing a fixed distance function, which can result in the loss of intricate details crucial for astrophysical analysis. In this work, we introduce DiffLense , a novel super-resolution pipeline based on a conditional diffusion model specifically designed to enhance the resolution of gravitational lensing images obtained from the Hyper Suprime-Cam Subaru Strategic Program (HSC-SSP). Our approach adopts a generative model, leveraging the detailed structural information present in Hubble space telescope (HST) counterparts. The diffusion model, trained to generate HST data, is conditioned on HSC data pre-processed with denoising techniques and thresholding to significantly reduce noise and background interference. This process leads to a more distinct and less overlapping conditional distribution during the model’s training phase. We demonstrate that DiffLense outperforms existing state-of-the-art single-image super-resolution techniques, particularly in retaining the fine details necessary for astrophysical analyses.

Computer Science↗
DOE OSTI2021

The antesonic condition for the explosion of core-collapse supernovae – II. Rotation and turbulence

In the problem of steady free fall on to a standing shockwave around a central mass, the ‘antesonic’ condition limits the regime of stable accretion to $c_T^2/v_\mathrm{esc}^2\le 3/16$, where cT is the isothermal sound speed in the subsonic post-shock flow, and vesc is the escape velocity at the shock radius. Above this limit, it is impossible to satisfy both the Euler equation and the shock jump conditions, and the system transitions to a wind. This physics explains the existence of a critical neutrino luminosity in steady-state models of accretion in the context of core-collapse supernovae. Here, we extend the antesonic condition to flows with rotation and turbulence using a simple one-dimensional formalism. Both effects decrease the critical post-shock sound speed required for explosion. While quite rapid rotation is required for a significant change to the critical condition, we show that the level of turbulence typically achieved in supernova simulations can greatly impact the critical value of $c_T^2/v_\mathrm{esc}^2$. A core angular velocity corresponding to a millisecond rotation period after contraction of the proto-neutron star results in only a ~5 percent reduction of the critical curve. In contrast, near-sonic turbulence with specific turbulent kinetic energy $K/c_T^2=0.5-1$, leads to a decrease in the critical value of $c_T^2/v_{\rm esc}^2$ by ~20 to 40 percent. This analysis provides a framework for understanding the role of post-shock turbulence in instigating explosions in models that would otherwise fail and helps explain why multidimensional simulations explode more easily than their one-dimensional counterparts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The parameter-level performance of covariance matrix conditioning in cosmic microwave background data analyses

Empirical estimates of the band power covariance matrix are commonly used in cosmic microwave background (CMB) power spectrum analyses. While this approach easily captures correlations in the data, noise in the resulting covariance estimate can systematically bias the parameter fitting. Conditioning the estimated covariance matrix, by applying prior information on the shape of the eigenvectors, can reduce these biases and ensure the recovery of robust parameter constraints. In this work, we use simulations to benchmark the performance of four different conditioning schemes, motivated by contemporary CMB analyses. The simulated surveys measure the TT, TE, and EE power spectra over the angular multipole range 300 ≤ ℓ ≤ 3500 in Δℓ = 50 wide bins, for temperature map-noise levels of 10, 6.4, and $2\, \mu$K arcmin. We divide the survey data into N real = 30, 50, or 100 uniform subsets. We show the results of different conditioning schemes on the errors in the covariance estimate, and how these uncertainties on the covariance matrix propagate to the best-fitting parameters and parameter uncertainties. The most significant effect we find is an additional scatter in the best-fitting point, beyond what is expected from the data likelihood. For a minimal conditioning strategy, N real = 30, and a temperature map-noise level of 10$\, \mu$K arcmin, we find the uncertainty on the recovered best-fitting parameter to be ×1.3 larger than the apparent posterior width from the likelihood (×1.2 larger than the uncertainty when the true covariance is used). Stronger priors on the covariance matrix reduce the misestimation of parameter uncertainties to $\lt 1{{\ \rm per\ cent}}$. As expected, empirical estimates perform better with higher N real , ameliorating the adverse effects on parameter constraints.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Quantifying the impact of the Si/O interface in CCSN explosions using the Force Explosion Condition

ABSTRACT The explosion mechanism of a core-collapse supernova (SN) is a complex interplay between neutrino heating and cooling (including the effects of neutrino-driven convection), the gravitational potential, and the ram pressure of the infalling material. To analyse the post-bounce phase of an SN, one can use the generalized force explosion condition (FEC+), which succinctly formalizes the interplay among these four phenomena in an analytical condition, consistent with realistic simulations. In this paper, we use the FEC+ to study the post-bounce phase of 341 spherically symmetric simulations, where convection is included through a time-dependent mixing-length approach. We find that the accretion of the Si/O interface through the expanding shock can significantly change the outcome of the SN by driving the FEC+ above the explosion threshold. We systematically explore this by (i) artificially smoothing the pre-SN density profile, and (ii) artificially varying the mixing length. In both cases, we find that large-enough density contrasts at the Si/O interface lead to successful shock revival only if the FEC+ is already close to the explosion threshold. Furthermore, we find that the accretion of the Si/O interface has a substantial effect on the critical condition for SN explosions, contributing between 5 and 15 per cent, depending on how pronounced the density contrast at the interface is. Earlier studies showed that convection affects the critical condition by 25–30 per cent, which demonstrates that the accretion of the Si/O interface through the shock can play a nearly comparable role in influencing shock dynamics.

Boccioli, Luca (ORCID:000000024819310X)↗
DOE OSTI2019

High power conditioning and benchmarking of planar nitrogen-incorporated ultrananocrystalline diamond field emission electron source

Planar nitrogen-incorporated ultrananocrystalline diamond [(N)UNCD] has emerged as a unique field emission source attractive for accelerator applications because of its capability to generate a high charge beam and handle moderate vacuum conditions. Most importantly, (N)UNCD sources are simple to produce: Conventional high aspect ratio isolated emitters are not required to be formed on the surface, and the actual emitter surface roughness is on the order of only 10–100 nm. A careful reliability assessment of (N)UNCD is required before it may find routine application in accelerator systems. In the present study using an L-band normal conducting single-cell rf gun, a (N)UNCD cathode has been conditioned to ~ 42 MV / m in a well-controlled manner. It reached a maximum output charge of 15 nC corresponding to an average current of 6 mA during an emission period of 2.5 $μ$s . Imaging of the emission current revealed a large number of isolated emitters (density over 100/cm 2 ) distributed on the cathode, which is consistent with previous tests in dc environments. The performance metrics, the emission imaging, and the systematic study of emission properties during rf conditioning in a wide gradient range assert (N)UNCD as an enabling electron source for rf injector designs serving industrial and scientific applications. These studies also improve the fundamental knowledge of the practical conditioning procedure via a better understanding of the emission mechanisms.

43 PARTICLE ACCELERATORS↗
DOE OSTI2011

Proton-proton bremsstrahlung: Consequences of different on-shell-point conditions

Background: Proton-proton bremsstrahlung (pp{gamma}) is investigated both theoretically and experimentally. The pp{gamma} amplitudes can be classified according to the number and location of on-shell points at which they are evaluated. Quantitative understanding of the effect on the pp{gamma} cross section of using different on-shell-point conditions is lacking, but it is essential to identifying the photon emission mechanism governing the pp{gamma} process. Method: Four different pp{gamma} amplitudes, which include four-on-shell-point amplitudes and one-on-shell-point amplitude, are generated from a realistic one-boson-exchange (ROBE) model for pp scattering. These ROBE amplitudes are used to investigate the consequence of using different on-shell-point conditions in calculating the pp{gamma} cross sections. Purpose: We verify the validity of the ROBE pp{gamma} amplitudes. We explore similarities between the four-on-shell-point ROBE and two-u-two-t special (TuTts) soft-photon pp{gamma} amplitudes and important differences with the one-on-shell-point ROBE and Low pp{gamma} amplitudes. We demonstrate that the precision Kernfysisch Versneller Instituut (KVI) data can only be described by the four-on-shell-point (ROBE or TuTts) amplitude. We use the ROBE four-on-shell-point amplitude and one-on-shell-point amplitude to investigate systematically the effect of using different on-shell-point conditions to calculate the pp{gamma} cross section. Furthermore, we identify a general principle that governs the process. This general principle is also applicable to other bremsstrahlung processes involving the scattering of two identical nucleons. Results: (i) The four-on-shell-point ROBE (or TuTts) amplitude describes the high-precision KVI data much better than does the one-on-shell-point ROBE (or Low) amplitude. Although the contribution from the anomalous magnetic moment of the proton is very significant, it does not completely dominate the KVI pp{gamma} cross sections. (ii) The four-on-shell-point ROBE (or TuTts) amplitude describes the TRIUMF data better than does the one-on-shell-point ROBE (or Low) amplitude. (iii) The effect on the pp{gamma} cross section of using different on-shell-point conditions is significant in the hard-photon region, i.e., for small proton scattering angles {theta} (={theta}{sub 3}={theta}{sub 4}, symmetric scattering angles) far from the elastic limit ({theta}{yields}45 deg.); in contrast, the effect becomes insignificant in the vicinity of the elastic limit. Near the limit as {theta} tends to 45 deg. (or as the photon energy K approaches zero), the four-on-shell-point and one-on-shell-point amplitudes approach one another, a general principle applicable to all bremsstrahlung processes because only kinematics is involved. Conclusion: The four-on-shell-point ROBE amplitude provides a quantitative description of pp{gamma} cross sections. The anomalous magnetic moment is an important component of the photon emission mechanism. The four-on-shell-point property of the full ROBE amplitude is essential to properly describing the complete range of the precision KVI data and the TRIUMF data, although the one-on-shell-point ROBE amplitude is adequate in the region near the elastic limit.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Flows into de Sitter space from anisotropic initial conditions: An effective field theory approach

For decades, physicists have analyzed various versions of a “cosmic no-hair” conjecture, to understand under what conditions a spacetime that is initially spatially anisotropic and/or inhomogeneous will flow into an isotropic and homogeneous state. Wald’s theorem, in particular, established that homogeneous but anisotropic spacetimes, if filled with a positive cosmological constant plus additional matter sources that satisfy specific energy conditions, will necessarily flow toward an (isotropic) de Sitter state at late times. Here, in this paper, we study the flow of homogeneous but anisotropic spacetimes toward isotropic states under conditions more general than those to which Wald’s theorem applies. We construct an effective field theory (EFT) treatment for generic “single-clock” systems in anisotropic spacetimes—which are not limited to realizations compatible with scalar-field constructions—and identify fixed points in the resulting phase space. We identify regions of this phase space that flow to isotropic fixed points—including a de Sitter fixed point—even in the absence of a bare cosmological constant, and for matter sources that do not obey the energy conditions required for Wald’s theorem. Such flows into de Sitter reveal the emergence of an effective cosmological constant.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Slow dynamics in a single bead with mechanical conditioning and transient heating

The contact stiffness of an aluminum bead confined between two slabs diminishes upon mechanical conditioning, and then recovers like log(t) after the conditioning ceases. Here that structure is evaluated for its response to transient heating and cooling, with and without accompanying conditioning vibrations. It is found that, under heating or cooling alone, stiffness changes are mostly consistent with temperature dependent material moduli; there is little or no slow dynamics. Hybrid tests in which vibration conditioning is followed by heating or cooling lead to recoveries that begin like log(t) and then become more complex. On subtracting the known response to heating or cooling alone we discern the influence of higher or lower temperatures on slow dynamic recovery from vibrations. It is found that heating accelerates the initial log(t) recovery, but by an amount more than predicted by an Arrhenius model of thermally activated barrier penetrations. Furthermore, transient cooling has no discernable effect, in contrast to the Arrhenius prediction that it slows recovery.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Resonance Suppression based on Predictive Control of Grid-following Inverters with LCL Filter in Weak Grid Condition

This paper presents an effective resonance suppression control when grid interactive inverter with LCL filter experience weak grid conditions. The resonance suppression mechanism is based on finite-set model predictive control (FSMPC) with adaptive cost function to alter the controller objectives seamlessly. The large parasitic impedance and low short circuit ratio (SCR) of weak grid challenges the operation of gridconnected inverters. Specifically, the LCL filter resonance may get excited, resulting in collapse of the inverter operation. To address this issue, an effective active damping approach is implemented in the proposed control. In the proposed active damping scheme for resonance suppression, the feedback currents are switched based on the operating conditions of inverter. During the stiff grid conditions, grid current serves as feedback to the controller. While in the weak grid conditions, the inverter current is selected as feedback signal. The toggling action between these two feedback currents is determined by comparing moving RMS of grid current with threshold current as constraint in the cost function of the proposed MPC scheme. The threshold current for toggling action is based on the reference active and reactive power setpoints plus an acceptable band of variation. The theoretical analysis is verified by several case studies.

Umar, Muhammad Farooq↗
DOE OSTI2017

High-pressure phase transitions of α-quartz under nonhydrostatic dynamic conditions: A reconnaissance study at PETRA III

Hypervelocity collisions of solid bodies occur frequently in the solar system and affect rocks by shock waves and dynamic loading. A range of shock metamorphic effects and high-pressure polymorphs in rock-forming minerals are known from meteorites and terrestrial impact craters. In this paper, we investigate the formation of high-pressure polymorphs of α-quartz under dynamic and nonhydrostatic conditions and compare these disequilibrium states with those predicted by phase diagrams derived from static experiments under equilibrium conditions. We create highly dynamic conditions utilizing a mDAC and study the phase transformations in α-quartz in situ by synchrotron powder X-ray diffraction. Phase transitions of α-quartz are studied at pressures up to 66.1 and different loading rates. At compression rates between 0.14 and 1.96 GPa s -1 , experiments reveal that α-quartz is amorphized and partially converted to stishovite between 20.7 GPa and 28.0 GPa. Therefore, coesite is not formed as would be expected from equilibrium conditions. With the increasing compression rate, a slight increase in the transition pressure occurs. The experiments show that dynamic compression causes an instantaneous formation of structures consisting only of SiO 6 octahedra rather than the rearrangement of the SiO 4 tetrahedra to form a coesite. Although shock compression rates are orders of magnitude faster, a similar mechanism could operate in impact events.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Two Methods for Retrieving UV Index for All Cloud Conditions from Sky Imager Products or Total SW Radiation Measurements

In the present study, we assess the cloud effects on UV Index (UVI) and total solar radiation (TR) as a function of cloud cover estimations and sunny conditions (from sky imaging products) as well as of solar zenith angle (SZA). These analyses are undertaken for a southern-hemisphere mid-latitude site where a 10-years dataset is available. It is confirmed that clouds reduce TR more than UV, in particular for obscured Sun conditions, low cloud fraction (< 60%) and large SZA (> 60º). Similarly, clouds enhance TR more than UV, mainly for visible Sun conditions, large cloud fraction and large SZA. Two methods to estimate UVI are developed: 1) from sky imaging cloud cover and sunny conditions, and 2) from TR measurements. Both methods may be used in practical operational applications, although Method 2 shows overall the best performance, since TR allows accounting for cloud optical properties. The mean absolute differences of Method 2 estimations with respect to measured values are 0.17 UVI units (for 1-minute data) and 0.79 Standard Erythemal Dose (SED) units (for daily integrations). Method 1 shows less accurate results but it is still suitable to estimate UVI: mean absolute differences are 0.37 UVI units and 1.6 SED.

clouds↗
DOE OSTI2018

Performance Analysis of Li-ion Battery Under Various Thermal and Load Conditions

In the recent years, with the rapid advancements made in the technologies of electric and hybrid electric vehicles, selecting suitable batteries has become a major factor. Among the batteries currently used for these types of vehicles, the lithium-ion battery leads the race. Apart from that, the energy gained from regenerative braking in locomotives and vehicles can be stored in batteries for later use for propulsion thus improving the fuel consumption and efficiency. But batteries can be subjected to a wide range of temperatures depending upon the operating conditions. Thus, a thorough knowledge of the battery performance over a wide range of temperatures and different load conditions is necessary for their successful employment in future technologies. In this context, this study aims to experimentally analyze the performance of Li-ion batteries by monitoring the charge–discharge rates, efficiencies, and energy storage capabilities under different environmental and load conditions. Sensors and thermal imaging camera were used to track the environment and battery temperatures, whereas the charge–discharge characteristics were analyzed using CADEX analyzer. The results show that the battery performance is inversely proportional to charge–discharge rates. This is because, at higher charge–discharge rates, the polarization losses increase thus increasing internal heat generation and battery temperature. Also, based on the efficiency and energy storage ability, the optimum performing conditions of the Li-ion battery are 30–40 °C (temperature) and 0.5 C (C-rate).

25 ENERGY STORAGE↗
DOE OSTI2020

CHARACTERISTICS OF CYCLE-TO-CYCLE COMBUSTION VARIABILITY AT PARTIAL-BURN LIMITED AND MISFIRE LIMITED SPARK TIMING UNDER HIGHLY DILUTED CONDITIONS

Diluted combustion with exhaust gas recirculation (EGR) has been widely employed to improve the fuel economy of spark ignition engines. The combustion kinetics, however, are affected and the flame propagation speed is decreased. In order to compensate for this adverse effect, the spark timing needs to be recalibrated to achieve maximum brake torque (MBT). At high levels of EGR dilution, the spark timing is constrained by two ignition limits: 1) the partial-bum limit where the spark timing is retarded from MBT and 2) the misfire limit where the spark timing is too advanced. This work uses a probabilistic framework to capture the differences between both ignition limits. In particular, it introduces the concept of a nominal indicated mean effective pressure (IMEP) distribution based on the stochastic properties of the cycle-to-cycle variability (CCV) at nominal stable conditions. By defining a nominal band where fully burned cycles occur with high probability, we introduce a cycle classification method that can be used to 1) determine the level of randomness of misfire and partial-burn events, and 2) measure CCV. The new CCV metric based on the density of the nominal band is compared with the traditional coefficient of variation of IMEP (CoVIMEP). It is shown that the nominal band concept, together with the CoVIMEP, can help to discern between partial-burn limited and misfire limited conditions. Furthermore, the Kullback-Leibler divergence is used to demonstrate that the IMEP distribution is significantly different between nominal and partial-burn/misfire limited conditions. Experiments are carried at various EGR levels and spark timings while recoding in-cylinder pressure at steady state. Although the emphasis of this work is to characterize the differences of both ignition limits from a probabilistic point of view, similarities between partial-burn cycles at either limiting conditions are also discussed.

Maldonado, Bryan↗
DOE OSTI2025

Increasing the deuterated potassium dihydrogen phosphate crystal laser resistance by an additional conditioning with nanosecond pulses

Laser conditioning with 355-nm sub-nanosecond laser light is a well-known procedure to increase the bulk laser-induced damage resistance of deuterated potassium dihydrogen phosphate (DKDP) crystals. In this study, we investigate a new process to further increase the bulk damage resistance of DKDP crystals by performing additional conditioning with a 6.7-ns 355-nm laser after first conditioning with a 500-ps 355-nm laser. Here, damage tests (using both small and large beams) show that the second nanosecond conditioning raster increased the fluence required to produce the same density (large beam test) and probability (small beam test) of bulk damage by ∼30%.

Crystals↗
DOE OSTI2018

Cross-polarization systematics due to Mizuguchi-Dragone condition breaking by a continuously rotating half-wave plate at prime focus in the Huan Tran telescope

Polarization modulation using a continuously rotating half-wave plate (HWP) is a promising technique to reduce both low-frequency noise and instrumental systematics for Cosmic Microwave Background (CMB) polarization measurements targeting in ationary B-modes. Although a HWP is best placed sky-side of the telescope optics in order to minimize systematics, >0.5 meter aperture class telescopes must put the HWP elsewhere in the optics chain due to current fabrication limitations in the available HWP size. Polarbear is a ground-based CMB experiment installed on the 2.5m aperture off-axis Gregorian-Dragone type Huan Tran Telescope (HTT) designed to satisfy the Mizuguchi-Dragone condition. Polarbear-2 is a receiver that will be installed on a second HTT in 2018. Polarbear-2 is designed to have a larger field-of-view (FOV) and vastly increased sensitivity to the polarized CMB compared to Polarbear. From the third season of observations, Polarbear has installed a continuously rotating HWP at the spatially localized focus plane between the HTT primary and secondary re ectors which is an optimal location for minimizing the HWP diameter. The HWP's polarization angle re ection with respect to its birefringent axis will theoretically break the Mizuguchi-Dragone condition when placed between the two reflectors and increase cross-polarization systematics. In this study, we analyze how the Mizuguchi-Dragone condition is violated due to a HWP at this location. We then estimate the crosspolarization systematics of the HTT using physical optics simulations. We model an ideal HWP at various angles to estimate the effects of demodulation. We evaluate the increased cross-polarization as the Stokes Q-U mixing term using the Mueller Matrix formalism. It is calculated that this term creates a varying dipole beam pattern whose amplitude ranges from 1% at the center to 10% at the edge FOV pixels for Polarbear and potentially up to 20% for Polarbear-2. We also estimate the leakage of the E-mode into the B-mode angular power spectrum measurements due to this cross-polarization. We show that the cross-polarization systematic error leakage is sufficiently lower than the Polarbear-2 statistical uncertainty thanks to mitigations such as focal plane averaging and sky rotation. Currently for Polarbear-2 we are planning to place the HWP at Gregorian focus, but keeping the HWP at prime focus as a back-up solution in case that there are unforeseen telescope spatial and HWP material size constraints. Through this study we find that even though a HWP between the two reflectors will violate the Mizuguchi-Dragone condition, this HWP at prime focus will still have sufficiently low cross-polarization for Polarbear-2. The prime focus HWP is a potential configuration that can be applied to similar off-axis Gregorian-Dragone telescopes in order to minimize the required HWP diameter.

Takakura, Satoru↗
DOE OSTI2015

Data consistency conditions for truncated fanbeam and parallel projections

Purpose: In image reconstruction from projections, data consistency conditions (DCCs) are mathematical relationships that express the overlap of information between ideal projections. DCCs have been incorporated in image reconstruction procedures for positron emission tomography, single photon emission computed tomography, and x-ray computed tomography (CT). Building on published fanbeam DCCs for nontruncated projections along a line, the authors recently announced new DCCs that can be applied to truncated parallel projections in classical (two-dimensional) image reconstruction. These DCCs take the form of polynomial expressions for a weighted backprojection of the projections. The purpose of this work was to present the new DCCs for truncated parallel projections, to extend these conditions to truncated fanbeam projections on a circular trajectory, to verify the conditions with numerical examples, and to present a model of how DCCs could be applied with a toy problem in patient motion estimation with truncated projections. Methods: A mathematical derivation of the new parallel DCCs was performed by substituting the underlying imaging equation into the mathematical expression for the weighted backprojection and demonstrating the resulting polynomial form. This DCC result was extended to fanbeam projections by a substitution of parallel to fanbeam variables. Ideal fanbeam projections of a simple mathematical phantom were simulated and the DCCs for these projections were evaluated by fitting polynomials to the weighted backprojection. For the motion estimation problem, a parametrized motion was simulated using a dynamic version of the mathematical phantom, and both noiseless and noisy fanbeam projections were simulated for a full circular trajectory. The fanbeam DCCs were applied to extract the motion parameters, which allowed the motion contamination to be removed from the projections. A reconstruction was performed from the corrected projections. Results: The mathematical derivation revealed the anticipated polynomial behavior. The conversion to fanbeam variables led to a straight-forward weighted fanbeam backprojection which yielded the same function and therefore the same polynomial behavior as occurred in the parallel case. Plots of the numerically calculated DCCs showed polynomial behavior visually indistinguishable from the fitted polynomials. For the motion estimation problem, the motion parameters were satisfactorily recovered and ten times more accurately for the noise-free case. The reconstructed images showed that only a faint trace of the motion blur was still visible after correction from the noisy motion-contaminated projections. Conclusions: New DCCs have been established for fanbeam and parallel projections, and these conditions have been validated using numerical experiments with truncated projections. It has been shown how these DCCs could be applied to extract parameters of unwanted physical effects in tomographic imaging, even with truncated projections.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2015

SU-E-T-656: Quantitative Analysis of Proton Boron Fusion Therapy (PBFT) in Various Conditions

Purpose: Three alpha particles are concomitant of proton boron interaction, which can be used in radiotherapy applications. We performed simulation studies to determine the effectiveness of proton boron fusion therapy (PBFT) under various conditions. Methods: Boron uptake regions (BURs) of various widths and densities were implemented in Monte Carlo n-particle extended (MCNPX) simulation code. The effect of proton beam energy was considered for different BURs. Four simulation scenarios were designed to verify the effectiveness of integrated boost that was observed in the proton boron reaction. In these simulations, the effect of proton beam energy was determined for different physical conditions, such as size, location, and boron concentration. Results: Proton dose amplification was confirmed for all proton beam energies considered (< 96.62%). Based on the simulation results for different physical conditions, the threshold for the range in which proton dose amplification occurred was estimated as 0.3 cm. Effective proton boron reaction requires the boron concentration to be equal to or greater than 14.4 mg/g. Conclusion: We established the effects of the PBFT with various conditions by using Monte Carlo simulation. The results of our research can be used for providing a PBFT dose database.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

The fate of carbon dioxide in water-rich fluids under extreme conditions

Investigating the fate of dissolved carbon dioxide under extreme conditions is critical to understanding the deep carbon cycle in Earth, a process that ultimately influences global climate change. We used first-principles molecular dynamics simulations to study carbonates and carbon dioxide dissolved in water at pressures ( P ) and temperatures ( T ) approximating the conditions of Earth’s upper mantle. Contrary to popular geochemical models assuming that molecular CO 2 (aq) is the major carbon species present in water under deep Earth conditions, we found that at 11 GPa and 1000 K, carbon exists almost entirely in the forms of solvated carbonate ( CO 3 2 - ) and bicarbonate ( HCO 3 - ) ions and that even carbonic acid [H 2 CO 3 (aq)] is more abundant than CO 2 (aq). Furthermore, our simulations revealed that ion pairing between Na + and CO 3 2 - / HCO 3 - is greatly affected by P - T conditions, decreasing with increasing pressure at 800 to 1000 K. Our results suggest that in Earth’s upper mantle, water-rich geofluids transport a majority of carbon in the form of rapidly interconverting CO 3 2 - and HCO 3 - ions, not solvated CO 2 (aq) molecules.

Pan, Ding (ORCID:0000000223530130)↗