Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Stopping Power”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 19 records

Quantum computation of stopping power for inertial fusion target design

Stopping power is the rate at which a material absorbs the kinetic energy of a charged particle passing through it—one of many properties needed over a wide range of thermodynamic conditions in modeling inertial fusion implosions. First-principles stopping calculations are classically challenging because they involve the dynamics of large electronic systems far from equilibrium, with accuracies that are particularly difficult to constrain and assess in the warm-dense conditions preceding ignition. Here, we describe a protocol for using a fault-tolerant quantum computer to calculate stopping power from a first-quantized representation of the electrons and projectile. Our approach builds upon the electronic structure block encodings of Su et al. [ PRX Quant. 2 , 040332 (2021)], adapting and optimizing those algorithms to estimate observables of interest from the non-Born–Oppenheimer dynamics of multiple particle species at finite temperature. We also work out the constant factors associated with an implementation of a high-order Trotter approach to simulating a grid representation of these systems. Ultimately, we report logical qubit requirements and leading-order Toffoli costs for computing the stopping power of various projectile/target combinations relevant to interpreting and designing inertial fusion experiments. We estimate that scientifically interesting and classically intractable stopping power calculations can be quantum simulated with roughly the same number of logical qubits and about one hundred times more Toffoli gates than is required for state-of-the-art quantum simulations of industrially relevant molecules such as FeMoco or P450.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Machine learning and TDDFT software for stopping power computation

(SF-24-012) Stopping power describes the rate that a material slows radiation particles passing through it and is useful in designing many technologies. Few organizations can perform new measurements, which require significant resources and rare equipment, and all others rely on coarse approximations rendered from pre-existing data. Methods for computing stopping power in new materials, such as time-dependent density functional theory (TD-DFT), have only recently (circa-2015) become available but are too computationally costly to use frequently enough to have a pronounced impact. We have created a method that opens a pathway to computing stopping power without any need for experimental data by combining electronic structure computations and machine learning.

Ward, Logan↗

Analytical Stopping Power and Range Parameterization for Therapeutic Energy Intervals

The literature on stopping powers and ranges for proton and heavier ions is vast. It includes measurements, theory, evaluations and tabulations, and software programs and routines. Electronic stopping powers are typically calculated with either the Bethe-Bloch Equation or empirically derived functions, depending on the energy regime of the ion. Nuclear stopping powers are typically calculated using a theoretical approach. Ranges are commonly calculated numerically using path length integration, stopping power data and the continuous slowing down approximation. The Stopping and Ranges of Ions in Matter (SRIM) by Ziegler et al., which provides these and other capabilities, exemplifies the integration of highly-realistic theories, evaluated data, and radiation transport capabilities. In applications where speed and simplicity are paramount considerations, analytical calculations of range offer considerable advantages over numerical methods. Range has long been calculated analytically using a simple power law known as the range-energy relationship. This provides excellent accuracy over a surprisingly wide interval of ion species (e.g. protons, carbon), ion energies (e.g. 10-200 MeV/u), absorber compositions (e.g. plastic, water, metal), and thickness (e.g. 0.5-1 10 mm). The major limitation of formulas derived from a simple power law relation was their limited interval of applicability, 1.e., 10-200 MeV for protons in water. Thus, fora projectile in a stopping length target, such as a cancer patient, the simple power law model breaks down in the biologically important interval below 10 MeV. In current standard-of-care treatment planning, this is typically not a concern because the resulting range errors are less than 1 mm (and can be accounted for) and because biological effects are not calculated based on ion stopping power. However, there is considerable interest to perform multi-scale calculations of ion beams, e.g., at dimensions corresponding to cellular DNA, with ion energies below 10 MeV. Thus, there is an increasing need for new fast and simple formulae to calculate range and stopping power across a broader energy intervals of ion energy. It was not known if simple analytical equations would meet this need and, if so, the limits of their applicability. The aim of this work was to develop a simple, non-piecewise continuous model of total stopping power which could be analytically integrated to provide a simple formula for range. More specifically, we sought to develop a model to provide stopping powers with accuracy of better than 20% and range errors less than 1 mm for hydrogen, carbon, iron, and uranium projectile ions and target materials including water, carbon, aluminum, lead, copper, iron, gadolinium, and gold. (authors)

62 RADIOLOGY AND NUCLEAR MEDICINE↗

SU-G-TeP1-02: Analytical Stopping Power and Range Parameterization for Therapeutic Energy Intervals

Purpose: To develop a simple, analytic parameterization of stopping power and range, which covers a wide energy interval and is applicable to many species of projectile ions and target materials, with less than 15% disagreement in linear stopping power and 1 mm in range. Methods: The new parameterization was required to be analytically integrable from stopping power to range, and continuous across the range interval of 1 µm to 50 cm. The model parameters were determined from stopping power and range data for hydrogen, carbon, iron, and uranium ions incident on water, carbon, aluminum, lead and copper. Stopping power and range data was taken from SRIM. A stochastic minimization algorithm was used to find model parameters, with 10 data points per energy decade. Additionally, fitting was performed with 2 and 26 data points per energy decade to test the model’s robustness to sparse Results: 6 free parameters were sufficient to cover the therapeutic energy range for each projectile ion species (e.g. 1 keV – 300 MeV for protons). The model agrees with stopping power and range data well, with less than 9% relative stopping power difference and 0.5 mm difference in range. As few as, 4 bins per decade were required to achieve comparable fitting results to the full data set. Conclusion: This study successfully demonstrated that a simple analytic function can be used to fit the entire energy interval of therapeutic ion beams of hydrogen and heavier elements. Advantages of this model were the small number (6) of free parameters, and that the model calculates both stopping power and range. Applications of this model include GPU-based dose calculation algorithms and Monte Carlo simulations, where available memory is limited. This work was supported in part by a research agreement between United States Naval Academy and Louisiana State University: Contract No N00189-13-P-0786. In addition, this work was accepted for presentation at the American Nuclear Society Annual Meeting 2016.

61 RADIATION PROTECTION AND DOSIMETRY↗

Calculating electronic stopping power in materials from first principles

From the early models of electronic stopping power to the current first principles simulations, the techniques evolved to increase the range of validity and to reduce empiricism. Thanks to a combination of theoretical advances provided by Time Dependent Density Functional Theory and the development of numerical codes, it is currently possible to predict electronic stopping power for realistic materials by performing direct simulations of the electron excitation processes beyond linear response, and including electronic band structure effects. Electronic stopping power is an important quantity used to predict and understand the effects of particle radiation in matter. First principles calculations of electronic stopping power can be applied to any atomistic system, solids, liquids and alloys. This review aims here to help graduate level students and researchers immerse themselves into state-of-the-art techniques to computationally model and calculate electronic stopping power.

36 MATERIALS SCIENCE↗

TU-FG-BRB-03: Basis Vector Model Based Method for Proton Stopping Power Estimation From Experimental Dual Energy CT Data

Purpose: This work aims at reducing the uncertainty in proton stopping power (SP) estimation by a novel combination of a linear, separable basis vector model (BVM) for stopping power calculation (Med Phys 43:600) and a statistical, model-based dual-energy CT (DECT) image reconstruction algorithm (TMI 35:685). The method was applied to experimental data. Methods: BVM assumes the photon attenuation coefficients, electron densities, and mean excitation energies (I-values) of unknown materials can be approximated by a combination of the corresponding quantities of two reference materials. The DECT projection data for a phantom with 5 different known materials was collected on a Philips Brilliance scanner using two scans at 90 kVp and 140 kVp. The line integral alternating minimization (LIAM) algorithm was used to recover the two BVM coefficient images using the measured source spectra. The proton stopping powers are then estimated from the Bethe-Bloch equation using electron densities and I-values derived from the BVM coefficients. The proton stopping powers and proton ranges for the phantom materials estimated via our BVM based DECT method are compared to ICRU reference values and a post-processing DECT analysis (Yang PMB 55:1343) applied to vendorreconstructed images using the Torikoshi parametric fit model (tPFM). Results: For the phantom materials, the average stopping power estimations for 175 MeV protons derived from our method are within 1% of the ICRU reference values (except for Teflon with a 1.48% error), with an average standard deviation of 0.46% over pixels. The resultant proton ranges agree with the reference values within 2 mm. Conclusion: Our principled DECT iterative reconstruction algorithm, incorporating optimal beam hardening and scatter corrections, in conjunction with a simple linear BVM model, achieves more accurate and robust proton stopping power maps than the post-processing, nonlinear tPFM based DECT analysis applied to conventional reconstructions of low and high energy scans. Funding Support: NIH R01CA 75371; NCI grant R01 CA 149305.

60 APPLIED LIFE SCIENCES↗

A linear, separable two-parameter model for dual energy CT imaging of proton stopping power computation

Purpose: To evaluate the accuracy and robustness of a simple, linear, separable, two-parameter model (basis vector model, BVM) in mapping proton stopping powers via dual energy computed tomography (DECT) imaging. Methods: The BVM assumes that photon cross sections (attenuation coefficients) of unknown materials are linear combinations of the corresponding radiological quantities of dissimilar basis substances (i.e., polystyrene, CaCl{sub 2} aqueous solution, and water). The authors have extended this approach to the estimation of electron density and mean excitation energy, which are required parameters for computing proton stopping powers via the Bethe–Bloch equation. The authors compared the stopping power estimation accuracy of the BVM with that of a nonlinear, nonseparable photon cross section Torikoshi parametric fit model (VCU tPFM) as implemented by the authors and by Yang et al. [“Theoretical variance analysis of single- and dual-energy computed tomography methods for calculating proton stopping power ratios of biological tissues,” Phys. Med. Biol. 55, 1343–1362 (2010)]. Using an idealized monoenergetic DECT imaging model, proton ranges estimated by the BVM, VCU tPFM, and Yang tPFM were compared to International Commission on Radiation Units and Measurements (ICRU) published reference values. The robustness of the stopping power prediction accuracy of tissue composition variations was assessed for both of the BVM and VCU tPFM. The sensitivity of accuracy to CT image uncertainty was also evaluated. Results: Based on the authors’ idealized, error-free DECT imaging model, the root-mean-square error of BVM proton stopping power estimation for 175 MeV protons relative to ICRU reference values for 34 ICRU standard tissues is 0.20%, compared to 0.23% and 0.68% for the Yang and VCU tPFM models, respectively. The range estimation errors were less than 1 mm for the BVM and Yang tPFM models, respectively. The BVM estimation accuracy is not dependent on tissue type and proton energy range. The BVM is slightly more vulnerable to CT image intensity uncertainties than the tPFM models. Both the BVM and tPFM prediction accuracies were robust to uncertainties of tissue composition and independent of the choice of reference values. This reported accuracy does not include the impacts of I-value uncertainties and imaging artifacts and may not be achievable on current clinical CT scanners. Conclusions: The proton stopping power estimation accuracy of the proposed linear, separable BVM model is comparable to or better than that of the nonseparable tPFM models proposed by other groups. In contrast to the tPFM, the BVM does not require an iterative solving for effective atomic number and electron density at every voxel; this improves the computational efficiency of DECT imaging when iterative, model-based image reconstruction algorithms are used to minimize noise and systematic imaging artifacts of CT images.

61 RADIATION PROTECTION AND DOSIMETRY↗

WE-D-BRF-05: Quantitative Dual-Energy CT Imaging for Proton Stopping Power Computation

Purpose: To extend the two-parameter separable basis-vector model (BVM) to estimation of proton stopping power from dual-energy CT (DECT) imaging. Methods: BVM assumes that the photon cross sections of any unknown material can be represented as a linear combination of the corresponding quantities for two bracketing basis materials. We show that both the electron density (ρe) and mean excitation energy (Iex) can be modeled by BVM, enabling stopping power to be estimated from the Bethe-Bloch equation. We have implemented an idealized post-processing dual energy imaging (pDECT) simulation consisting of monogenetic 45 keV and 80 keV scanning beams with polystyrene-water and water-CaCl2 solution basis pairs for soft tissues and bony tissues, respectively. The coefficients of 24 standard ICRU tissue compositions were estimated by pDECT. The corresponding ρe, Iex, and stopping power tables were evaluated via BVM and compared to tabulated ICRU 44 reference values. Results: BVM-based pDECT was found to estimate ρe and Iex with average and maximum errors of 0.5% and 2%, respectively, for the 24 tissues. Proton stopping power values at 175 MeV, show average/maximum errors of 0.8%/1.4%. For adipose, muscle and bone, these errors result range prediction accuracies less than 1%. Conclusion: A new two-parameter separable DECT model (BVM) for estimating proton stopping power was developed. Compared to competing parametric fit DECT models, BVM has the comparable prediction accuracy without necessitating iterative solution of nonlinear equations or a sample-dependent empirical relationship between effective atomic number and Iex. Based on the proton BVM, an efficient iterative statistical DECT reconstruction model is under development.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Ab Initio Studies on the Stopping Power of Warm Dense Matter with Time-Dependent Orbital-Free Density Functional Theory

Here, electronic transport properties of warm dense matter, such as electrical/thermal conductivities and nonadiabatic stopping power, are of particular interest to geophysics, planetary science, astrophysics, and inertial confinement fusion (ICF). One example is the α-particle stopping power of dense deuterium–tritium (DT) plasmas, which must be precisely known for current small-margin ICF target designs to ignite. We have developed a time-dependent orbital-free density functional theory (TD-OF-DFT) method for ab initio investigations of the charged-particle stopping power of warm dense matter. Our current dependent TD-OF-DFT calculations have reproduced the recently well-characterized stopping power experiment in warm dense beryllium. Forα-particle stopping in warm and solid-density DT plasmas, the ab initio TD-OF-DFT simulations show a lower stopping power up to ~25% in comparison with two stopping-power models widely used in the high-energy-density physics community.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Electronic stopping power of protons and alpha particles in nickel

The electronic stopping power of nickel for protons and alpha particles at velocities below and around the Fermi velocity has been obtained to high accuracy using time-dependent density functional theory. For the wide range of projectile velocities considered, we observed di erent regimes of electronic stopping due to the alternative participation of s- and d-band electrons. Despite the sharp discontinuity in the electronic density of states near the Fermi energy characteristic of the nickel band structure, we do not nd an anomalous non-linear electronic stopping power limit as a function of velocity. However, we nd a crossover region above v = 0:15 a:u: both for protons and alpha particles, related to the increase in participating host electrons and, in the case of alpha particles, to an increase of the charge state. We compare our calculated results with widely available experimental data and analyze the low velocity limits in the context of Lindhard's linear response theory and previous non-linear density functional calculations. The comparison shows good accord with the lowest velocity experiments available. This may indicate that the adiabatic local density approximation is already a good theory to calculate electronic stopping power in materials at low velocity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Sensitivity of an (α,n) neutron source to (α,n) cross sections and stopping powers

The first-order sensitivities of the (α,n) neutron source rate density in a homogeneous material to isotopic (α,n) cross sections, elemental electronic stopping power data, and general coefficients for the nuclear stopping power are derived for the total neutron source and the energy-dependent neutron source. The physics bases for some of the equations in the SOURCES4C calculation of the stopping power are briefly discussed. The derivatives have been implemented in SOURCES4C. In simple PuO 2 and PuB 2 test problems, the computed derivatives compare extremely well with central differences. As a result, the first-order sensitivities are applied to show that improving the value of one of SOURCES4C’s stopping-power coefficients changes the (α,n) neutron source rate by 1.738 × 10 –6 % in the PuO 2 problem.

(α,n) neutron source↗

Collective effects on the wakefield and stopping power of an ion beam pulse in plasmas

A two-dimensional (2D) particle-in-cell simulation is carried out to study the collective effects on the wakefield and stopping power for a hydrogen ion beam pulse propagation in hydrogen plasmas. The dependence of collective effects on the beam velocity and density is obtained and discussed. For the beam velocity, it is found that the collective effects have the strongest impact on the wakefield as well as the stopping power in the case of the intermediate beam velocities, in which the stopping power is also the largest. For the beam density, it is found that at low beam densities, the collective contribution to the stopping power increase linearly with the increase of the beam density, which corresponds well to the results calculated using the dielectric theory. However, at high beam densities, our results show that after reaching a maximum value, the collective contribution to the stopping power starts to decrease significantly with the increase of the beam density. Besides, at high beam densities, the wakefield loses typical V-shaped cone structures, and the wavelength of the oscillation wakefield increases as the beam density increases.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Validation of the single-event method for low-energy electron transport via stopping power calculations with $\mathrm{MCNP}$

Monte Carlo simulations of low-energy ( <50 keV) electron transport in matter are essential for a broad range of application fields. Several Monte Carlo codes have developed specialized treatments for this case, but a comprehensive validation of low-energy electron transport for general-purpose simulations remains lacking in the literature. One approach to accomplish this validation is calculation of stopping power using low-energy electron transport physics, as stopping power is a fundamental radiation transport quantity which must be simulated accurately for nearly any application. Here in this work, we use the Monte Carlo N-Particle (MCNP) radiation transport code with the single-event method for electron transport to calculate stopping powers of low-energy electrons (50 eV to 30 keV) in 41 elemental solids, 14 compound solids, and five rare gas solids, comparing simulation results to published semi-empirical stopping power calculations from optical measurements. In general, the simulations give good agreement (typically within ±10%) with semi-empirical stopping power values at higher energies: 300 eV and above for most elemental solids, 1 keV and above for compound solids, and 400 eV and above for rare gas solids. Agreement between MCNP and semi-empirical values is worse below these energies. The most significant source of error is the EPRDATA14 cross section data, which does not account for changes in electronic structure due to solid-state bonding, particularly in compound materials. The simplistic model of atomic excitation used to generate the EPRDATA14 cross sections is another key source of error. Additionally, the breakdown of the continuous slowing-down approximation introduces significant uncertainty at low energies, although this is a limitation of the calculation method and not of the simulation procedure. Accounting for these and other uncertainty sources, the single event method in MCNP is robust and able to give good accuracy for a variety of low-energy electron transport problems through diverse kinds of materials.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Measurement of the Stopping Power of Water for Carbon Ions Using Inverted Doppler Shift Attenuation

Carbon ion therapy has gained importance in cancer treatment due to its locally well confined dose distribution, but there is a significant lack of experimental data which is needed for dose calculations and estimation of biological damage. Since tissue is mainly comprised of water, the energy-dependent stopping power of water is the critical measure. Importantly, previous data gathered from experiments with light ions has been limited to water vapour and ice and neglected water in its liquid phase. Additionally, theoretical models regarding the stopping power cannot yet describe the complex charge transfer interactions of the projectile at velocities in the range of the mean velocity of the valence electrons of the traversed medium. There are also discrepancies in the amount of phase effects concerning water and water vapour cross sections. Despite its importance there exists no experimental data for the stopping power of water for carbon ions in the energy region between 1 MeV and 5 MeV. This may be due to the short track length of carbon ions which makes traditional transmission experiments unfeasible. Therefore a project was launched to measure the stopping power of liquid water for carbon ions in the vicinity of the Bragg peak which corresponds to the energy regime of the maximum stopping power. For this measurement the inverted Doppler shift attenuation method was used. This uses the gamma quanta emitted from excited carbon nuclei which are produced by means of the {sup 12}C(α,α'){sup 12}C* reaction. The recorded γ-spectra contain the information of the projectiles velocity at the time they decay to their ground state and an internal clock provided by the exponential decay law. The deceleration of the projectile is directly connected to the stopping power which can be determined with this method as a function of the projectiles kinetic energy. Further measurements have been carried out to improve the experimental method. The setup and the preliminary results of this study will be presented. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

SU-E-T-415: Experimental Determination of the Relative Stopping Power of TRUFILL N-BCA Liquid Embolic System in a Clinical Proton Beam

Purpose: Patients who undergo n-BCA glue embolization as part of treatment for AVMs are later referred for proton therapy. Knowing the relative stopping power of the glue accurately allows us to perform accurate dose calculations. In this study we experimentally determine the relative stopping power of an n-BCA mixture in a 126 MeV and 149.6 MeV proton beams. Methods: One unit of the TRUFILL™ n-BCA liquid embolic system consists of 1g unit of n-BCA, 1g unit of Tantalum powder and one 10mL vial of Ethiodized oil. The physician mixed 3:1 Ethiodized oil to n-BCA. Five units (20cc) of the n-BCA liquid embolic glue were prepared and placed in a 6cm x 3cm x3cm Lucite container. The container was placed in front of a water tank in the proton beam path. A diamond detector (active volume 0.004mm3) was used to measure distal edge of depth dose of a modulated 126 MeV proton beam collimated using a 3cm brass aperture. The procedure was repeated with a container carrying the same amount of water placed in front of the water tank. The difference in the depth dose measured with glue and with water was used to determine the relative stopping power of the glue. The same determination was done earlier at 149.6 MeV using a different smaller sample (4cc) of n-BCA. Results: The relative stopping power of this particular n-BCA mixture was determined to be 1.06 at both 126 MeV and 149.6 MeV. We are working on obtaining the composition data of the n-BCA glue so we can perform Monte Carlo calculations. Conclusion: Accurate value of the stopping power of the n-BCA glue in the proton beam was determined to be 1.06. It will improve the accuracy of dose calculations in proton radiosurgery procedures on AVM patients with n-BCA embolization.

60 APPLIED LIFE SCIENCES↗

Stopping power measurements with the Time-of-Flight (ToF) technique

In our review of measurements of the stopping power of ions in matter is presented along with new measurements of the stopping powers of O, Si, Ti, and Au ions in self-supporting thin foils of SiO 2 , Nb 2 O 5 , and Ta 2 O 5 . Moreover, a Time-of-Flight system at the Ion Beam Materials Laboratory at the University of Tennessee, Knoxville, was used in transmission geometry in order to reduce experimental uncertainties. Finally, the resulting stopping powers show good precision and accuracy and corroborate previously quoted values in the literature. New stopping data are determined.

36 MATERIALS SCIENCE↗

Time-dependent orbital-free density functional theory for electronic stopping power: Comparison to the Mermin-Kohn-Sham theory at high temperatures

Electronic stopping power in warm dense matter can affect energy transport and heating in astrophysical processes and internal confinement fusion. For cold condensed matter systems, stopping power can be modeled from first-principles using real-time time-dependent density functional theory (DFT). However, high temperatures (10's to 100's of eV) may be computationally prohibitive for traditional Mermin-Kohn-Sham DFT. New experimental measurements in the warm dense regime motivates the development of first-principles approaches, which can reach these temperatures. Here, we have developed a time-dependent orbital-free density functional theory, which includes a novel nonadiabatic and temperature-dependent kinetic energy density functional, for the simulation of stopping power at any temperature. The approach is nonlinear with respect to the projectile perturbation, includes all ions and electrons, and does not require a priori determination of screened interaction potentials. Finally, our results compare favorably with Kohn-Sham for temperatures in the WDM regime, especially nearing 100 eV.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Reproducibility of real-time time-dependent density functional theory calculations of electronic stopping power in warm dense matter

Real-time time-dependent density functional theory (TDDFT) is widely considered to be the most accurate available method for calculating electronic stopping powers from first principles, but there have been relatively few assessments of the consistency of its predictions across different implementations. This problem is particularly acute in the warm dense regime, where computational costs are high and experimental validation is rare and resource intensive. We report a comprehensive cross-verification of stopping power calculations in conditions relevant to inertial confinement fusion conducted using four different TDDFT implementations. We find excellent agreement among both the post-processed stopping powers and relevant time-resolved quantities for alpha particles in warm dense hydrogen. We also analyze sensitivities to a wide range of methodological details, including the exchange-correlation model, pseudopotentials, initial conditions, observable from which the stopping power is extracted, averaging procedures, projectile trajectory, and finite-size effects. We show that among these details, pseudopotentials, trajectory-dependence, and finite-size effects have the strongest influence, and we discuss different strategies for controlling the latter two considerations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗