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At least 955 records · Page 53

Crystallographic-orientation dependent Li ion migration and reactions in layered MoSe 2

The lithium ion migration dynamics and the fast lithiation pathways in electrode materials are quite vital to the rate capability of lithium ion batteries (LIBs). To reveal the relationship between lithiation behavior and crystallographic orientations in layered MoSe 2 , its dynamic electrochemical reactions are investigated with in situ microscopy technique. Here, we report the crystallographic-orientation dependent lithium ion migration and reaction in MoSe 2 , where the preferential lithium-ion migration is observed along the $\langle10\bar{1}0\rangle$ orientations. These oriented-lithiation tips further assisted the surface to interior lithiation of layered MoSe 2 . At the same time, a phase transition from pristine 2H-MoSe 2 to 1T-Li x MoSe 2 and the following conversion reaction with the formation of Li2Se and Mo are observed during the first lithiation process. The lithiation induced stress and orientation-dependent interfacial reaction rate might be the main factor leading to the orientation-dependent lithiation behavior. The experimentally revealed crystallographic-orientation dependent lithium ion migration and reaction in layered MoSe 2 will provide intuitive understanding of the structural evolution during the discharge/charge cycling process, give guidance for the design of anode materials and can broaden the promising application of MoSe 2 in solid electrochemical devices.

Lithium ion battery↗

Transverse-momentum-dependent pion structures from lattice QCD: Collins-Soper kernel, soft factor, TMDWF, and TMDPDF

We present the first lattice quantum chromodynamics (QCD) calculation of the pion valence-quark transverse-momentum-dependent parton distribution function (TMDPDF) within the framework of large-momentum effective theory (LaMET). Using correlators fixed in the Coulomb gauge (CG), we computed the quasi-TMD beam function for a pion with a mass of 300 MeV, a fine lattice spacing of 𝑎 =0.06 fm, and multiple large momenta up to 3 GeV. The intrinsic soft functions in the CG approach are extracted from form factors with large momentum transfer, and as a byproduct, we also obtain the corresponding Collins-Soper (CS) kernel. Our determinations of both the soft function and the CS kernel agree with perturbation theory at small transverse separations (𝑏 ⊥ ) between the quarks. At larger 𝑏 ⊥ , the CS kernel remains consistent with recent results obtained using both CG and gauge-invariant TMD correlators in the literature. By combining next-to-leading logarithmic factorization of the quasi-TMD beam function and the soft function, we obtain an 𝑥-dependent pion valence-quark TMDPDF for transverse separations 𝑏 ⊥ ≳1 fm. Interestingly, we find that the 𝑏 ⊥ dependence of the phenomenological parametrizations of TMDPDF for moderate values of 𝑥 are in reasonable agreement with our QCD determinations. In addition, we present results for the transverse-momentum-dependent wave function for a heavier pion with 670 MeV mass.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Entanglement in a time-dependent coupled XY spin chain in an external magnetic field

We consider an infinite one-dimensional anisotropic XY spin chain with a nearest-neighbor time-dependent Heisenberg coupling J(t) between the spins in presence of a time-dependent magnetic field h(t). We discuss a general solution for the system and present an exact solution for particular choice of J and h of practical interest. We investigate the dynamics of entanglement for different degrees of anisotropy of the system and at both zero and finite temperatures. We find that the time evolution of entanglement in the system shows nonergodic and critical behavior at zero and finite temperatures and different degrees of anisotropy. The asymptotic behavior of entanglement at the infinite time limit at zero temperature and constant J and h depends only the parameter {lambda}=J/h rather than the individual values of J and h for all degrees of anisotropy but changes for nonzero temperature. Furthermore, the asymptotic behavior is very sensitive to the initial values of J and h and for particular choices we may create finite asymptotic entanglement regardless of the final values of J and h. The persistence of quantum effects in the system as it evolves and as the temperature is raised is studied by monitoring the entanglement. We find that the quantum effects dominate within certain regions of the kT-{lambda} space that vary significantly depending on the degree of the anisotropy of the system. Particularly, the quantum effects in the Ising model case persist in the vicinity of both its critical phase transition point and zero temperature as it evolves in time. Moreover, the interplay between the different system parameters to tune and control the entanglement evolution is explored.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Temperature dependence of the intrinsic anomalous Hall effect in nickel

The unusual temperature dependence of the anomalous Hall effect (AHE) in Ni is investigated by an experimental approach which enables us to extract the intrinsic anomalous Hall conductivity over the whole temperature range. In stark contrast to the existing literature, the intrinsic contribution in Ni is found to be strongly temperature dependent between 5 and 150 K, where the corresponding magnetization remains almost unchanged. This pronounced temperature dependence, a cause of the long-standing confusion concerning the physical origin of the AHE in Ni, is likely due to the existence of small band gaps caused by the spin-orbit coupling at the Fermi level. Our result helps pave the way for the general claim of the Berry-phase interpretation for the AHE, and also points out another mechanism for the temperature dependence of the AHE.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Temperature and temporal dependence of the optical response for a radiochromic dosimeter

Purpose: Both temporal and thermal dependencies of the dose response have been observed in radiochromic dosimeters. As these dependencies may be influenced by the dose level, the present study investigates the temperature dependence during irradiation and the temporal change of the optical response following irradiation of radiochromic dosimeters at a range of doses. Methods: Cuvette samples of the PRESAGE Trade-Mark-Sign radiochromic dosimeter were irradiated within a dose range of 0-10 Gy at irradiation temperatures within 5-35 Degree-Sign C and postirradiation storage within 6-30 Degree-Sign C. The optical response due to irradiation was measured using a standard spectrophotometer and the data were analyzed in terms of thermal and temporal change. Results: The initial dose response was linear over the applied dose range independent of irradiation temperature. However, the optical response to a specific dose increased exponentially with irradiation temperature corresponding to an activation energy of 0.114 {+-} 0.007 eV. The temporal change in dose response after irradiation consisted of an offset, an auto-oxidation rate with activation energy 0.84 {+-} 0.03 eV, and an initial exponential increase in optical response (1.6 {+-} 0.2 eV) followed by an exponential decrease in optical response (0.98 {+-} 0.08 eV). These contributions depended on both storage temperature and the dose given, leading to a nonlinear dose response with time at low storage temperatures and a high auto-oxidation rate at high storage temperatures. Conclusions: Thermal equilibration is important to the radiochromic dosimeter investigated due to an exponential change in dose response with irradiation temperature and a considerable postirradiation temporal change in response. For the dosimeter version investigated in this study, a compromise in storage temperature has to be made between increasing the nonlinearity of the dose response with time and inducing a high auto-oxidation rate.

36 MATERIALS SCIENCE↗

Temperature dependence of APD-based PET scanners

Purpose: Solid state detectors such as avalanche photodiodes (APDs) are increasingly being used in PET detectors. One of the disadvantages of APDs is the strong decrease of their gain factor with increasing ambient temperature. The light yield of most scintillation crystals also decreases when ambient temperature is increased. Both effects lead to considerable temperature dependence of the performance of APD-based PET scanners. In this paper, the authors propose a model for this dependence and the performance of the LabPET8 APD-based small animal PET scanner is evaluated at different temperatures.Methods: The model proposes that the effect of increasing temperature on the energy histogram of an APD-based PET scanner is a compression of the histogram along the energy axis. The energy histogram of the LabPET system was acquired at 21 °C and 25 °C to verify the validity of this model. Using the proposed model, the effect of temperature on system sensitivity was simulated for different detector temperature coefficients and temperatures. Subsequently, the effect of short term and long term temperature changes on the peak sensitivity of the LabPET system was measured. The axial sensitivity profile was measured at 21 °C and 24 °C following the NEMA NU 4-2008 standard. System spatial resolution was also evaluated. Furthermore, scatter fraction, count losses and random coincidences were evaluated at different temperatures. Image quality was also investigated.Results: As predicted by the model, the photopeak energy at 25 °C is lower than at 21 °C with a shift of approximately 6% per °C. Simulations showed that this results in an approximately linear decrease of sensitivity when temperature is increased from 21 °C to 24 °C and energy thresholds are constant. Experimental evaluation of the peak sensitivity at different temperatures showed a strong linear correlation for short term (2.32 kcps/MBq/°C = 12%/°C, R = −0.95) and long term (1.92 kcps/MBq/°C = 10%/°C , R = −0.96) temperature changes. Count rate evaluation showed that although the total count rate is consistently higher at 21 °C than at 24 °C for different source activity concentrations, this is mainly due to an increase in scattered and random coincidences. The peak total count rate is 400 kcps at both temperatures but is reached at lower activity at 21 °C. The peak true count rate is 138 kcps (at 100 MBq) at 21 °C and 180 kcps (at 125 MBq) at 24 °C. The peak noise equivalent count rate is also lower at 21 °C (70 kcps at 70 MBq) than at 24 °C (100 kcps at 100 MBq). At realistic activity levels, the scatter fraction is lower at higher temperatures, but at the cost of a strong decrease in true count rate.Conclusions: A model was proposed for the temperature dependence of APD-based PET scanners and evaluated using the LabPET small animal PET scanner. System sensitivity and count rate performance are strongly dependent on ambient temperature while system resolution is not. The authors’ results indicate that it is important to assure stable ambient temperature to obtain reproducible results in imaging studies with APD-based PET scanners.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

SU-F-BRE-15: Verification of Energy Dependence of MAGAT Polymer Gel at Orthovoltage Energies

Purpose: Investigation of dose response curves of methacrylic acid-based “MAGAT” gel at different effective energies to verify an energy dependence of polymer-gel dosimeters for orthovoltage energy x-rays. Methods: Six small cylindrical MAGAT gel phantoms were exposed to different dose levels; one phantom was unirradiated for background subtraction. This experiment was repeated for three different effective beam energies.24 h post irradiation the spin-spin relaxation times (T2) were measured with a 4.7 T Bruker MR scanner at 2 cm depth inside the gel. The T2 values were converted to relaxation rates (R2) and plotted against the respective dose levels corresponding to the different effective energies. The resulting dose response curves were compared for a 250 kVp beam, the 250 kVp beam filtered by 6 cm of water, and a 125 kVp beam. Results: The passage of the 250 kVp beam through water resulted in a half-value-layer (HVL) change from 1.05 mm Cu to 1.32 mm Cu at 6 cm depth with a change in effective energy from 81.3 keV to 89.5 keV, respectively. The dose response curves showed a shift to higher relaxation rates for the harder beam. The dose response measurements for the 125 kVp beam (HVL: 3.13 mm Al, effective energy: 33.9 keV) demonstrated even higher relaxation rates than for either of the other beams. Conclusion: The MAGAT dose response curves for three different effective energies demonstrate a complex energy dependence, with an apparent decrease in sensitivity at 89.5 keV effective energy. This energy dependence is consistent with observed discrepancies of depth dose data compared with ion-chamber data. For future investigations of larger volumes, an energy-dependent sensitivity function is needed to properly assess 3-dimensional dose distributions.

60 APPLIED LIFE SCIENCES↗

Sci-Sat AM: Radiation Dosimetry and Practical Therapy Solutions - 03: Energy dependence of a clinical probe-format calorimeter and its pertinence to absolute photon and electron beam dosimetry

Purpose: To evaluate the intrinsic and absorbed-dose energy dependence of a small-scale graphite calorimeter probe (GPC) developed for use as a routine clinical dosimeter. The influence of charge deposition on the response of the GPC was also assessed by performing absolute dosimetry in clinical linac-based electron beams. Methods: Intrinsic energy dependence was determined by performing constant-temperature calorimetry dose measurements in a water-equivalent solid phantom, under otherwise reference conditions, in five high-energy photon (63.5 < %dd(10){sub X} < 76.3), and five electron (2.3 cm < R{sub 50} < 8.3 cm) beams. Reference dosimetry was performed for all beams in question using an Exradin A19 ion chamber with a calibration traceable to national standards. The absorbed-dose component of the overall energy dependence was calculated using the EGSnrc egs-chamber user code. Results: A total of 72 measurements were performed with the GPC, resulting in a standard error on the mean absorbed dose of better than 0.3 % for all ten beams. For both the photon and electron beams, no statistically-significant energy dependence was observed experimentally. Peak-to-peak, variations in the relative response of the GPC across all beam qualities of a given radiation type were on the order of 1 %. No effects, either transient or permanent, were attributable to the charge deposited by the electron beams. Conclusions: The GPC’s apparent energy-independence, combined with its well-established linearity and dose rate independence, make it a potentially useful dosimetry system capable measuring photon and electron doses in absolute terms at the clinical level.

61 RADIATION PROTECTION AND DOSIMETRY↗

Temperature dependences of the contact resistivity in ohmic contacts to n{sup +}-InN

The temperature dependences of the contact resistivity (ρ{sub c}) of ohmic contacts based on the Au-Ti-Pd-InN system are measured at an InN doping level of 2 × 10{sup 18} cm{sup −3} in the temperature range of 4.2–300 K. At temperatures T > 150 K, linearly increasing dependences ρ{sub c}(T) are obtained. The dependences are explained within the mechanism of thermionic current flow through metal shunts associated with dislocations. Good agreement between theoretical and experimental dependences is achieved assuming that the flowing current is limited by the total resistance of the metal shunts, and the density of conductive dislocations is ∼5 × 10{sup 9} cm{sup −2}. Using the X-ray diffraction method, the density of screw and edge dislocations in the structure under study is measured: their total density exceeds 10{sup 10} cm{sup −2}.

36 MATERIALS SCIENCE↗

A Dynamic Approach to Modeling Dependence Between Human Failure Events

In practice, most HRA methods use direct dependence from THERP—the notion that error be- gets error, and one human failure event (HFE) may increase the likelihood of subsequent HFEs. In this paper, we approach dependence from a simulation perspective in which the effects of human errors are dynamically modeled. There are three key concepts that play into this modeling: (1) Errors are driven by performance shaping factors (PSFs). In this context, the error propagation is not a result of the presence of an HFE yielding overall increases in subsequent HFEs. Rather, it is shared PSFs that cause dependence. (2) PSFs have qualities of lag and latency. These two qualities are not currently considered in HRA methods that use PSFs. Yet, to model the effects of PSFs, it is not simply a matter of identifying the discrete effects of a particular PSF on performance. The effects of PSFs must be considered temporally, as the PSFs will have a range of effects across the event sequence. (3) Finally, there is the concept of error spilling. When PSFs are activated, they not only have temporal effects but also lateral effects on other PSFs, leading to emergent errors. This paper presents the framework for tying together these dynamic dependence concepts.

dependence↗

Ionization of HCCI Neutral and Cations by Strong Laser Fields Simulated With Time Dependent Configuration Interaction

Strong field ionization of neutral iodoacetylene (HCCI) can produce a coherent superposition of the X and A cations. This superposition results in charge migration between the CC π orbital and the iodine π-type lone pair which can be monitored by strong field ionization with short, intense probe pulses. Strong field ionization of the X and A states of HCCI cation was simulated with time-dependent configuration interaction using singly ionized configurations and singly excited, singly ionized configurations (TD-CISD-IP) and an absorbing boundary. Studies with static fields were used to obtain the 3-dimensional angular dependence of instantaneous ionization rates by strong fields and the orbitals involved in producing the cations and dications. The frequency of charge oscillation is determined by the energy separation of the X and A states; this separation can change depending on the direction and strength of the field. Furthermore, fields along the molecular axis can cause extensive mixing between the field-free X and A configurations. For coherent superpositions of the X and A states, the charge oscillations are characterized by two frequencies–the driving frequency of the laser field of the probe pulse and the intrinsic frequency due to the energy separation between the X and A states. For linear and circularly polarized pulses, the ionization rates show marked differences that depend on the polarization direction of the pulse, the carrier envelope phase and initial phase of the superposition. Varying the initial phase of the superposition at the beginning of the probe pulse is analogous to changing the delay between the pump and probe pulses. The charge oscillation in the coherent superposition of the X and A states results in maxima and minima in the ionization yield as a function of the superposition phase

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dependable classical-quantum computing systems engineering

Increasing evidence suggests quantum computing (QC) complements traditional High-Performance Computing (HPC) by leveraging its unique capabilities, leading to the emergence of a new, hybrid paradigm, QHPC. However, this integration introduces new challenges, with dependability–defined by reproducibility, resiliency, and security and privacy–emerging as a central concern for building trustworthy systems that provide an advantage to the users. This paper proposes a framework for dependable QHPC system design, organized around these three pillars. We identify integration challenges, anticipate roadblocks, and highlight productive synergies across QC, HPC, cloud platforms, and network security. Drawing from both classical computing principles and quantum-specific insights, we present a roadmap for co-design that supports robust hybrid architectures. Our approach offers concrete metrics for assessing dependability, provides design guidance for engineers working at the QC-HPC interface, and surfaces new engineering questions around complexity, scale, and fault tolerance. Ultimately, designing for dependability is key to realizing practical, scalable QHPC systems and accelerating the broader quantum ecosystem capable of translating quantum promises into actual application delivery.

HPC↗

Halo Intrinsic Alignment: Dependence on Mass, Formation Time, and Environment

In this paper we use high-resolution cosmological simulations to study halo intrinsic alignment and its dependence on mass, formation time, and large-scale environment. In agreement with previous studies using N -body simulations, it is found that massive halos have stronger alignment. For the first time, we find that for a given halo mass older halos have stronger alignment and halos in cluster regions also have stronger alignment than those in filaments. To model these dependencies, we extend the linear alignment model with inclusion of halo bias and find that the halo alignment with its mass and formation time dependence can be explained by halo bias. However, the model cannot account for the environment dependence, as it is found that halo bias is lower in clusters and higher in filaments. Our results suggest that halo bias and environment are independent factors in determining halo alignment. We also study the halo alignment correlation function and find that halos are strongly clustered along their major axes and less clustered along the minor axes. The correlated halo alignment can extend to scales as large as 100 h {sup −1} Mpc, where its feature is mainly driven by the baryon acoustic oscillation effect.

79 ASTRONOMY AND ASTROPHYSICS↗

Time-Dependent Response Versus Scan Angle for MODIS Reflective Solar Bands

The Moderate Resolution Imaging Spectroradiometer (MODIS) instruments currently operate onboard the National Aeronautics and Space Administration (NASA's) Terra and Aqua spacecraft, launched on December 18, 1999 and May 4, 2002, respectively. MODIS has 36 spectral bands, among which 20 are reflective solar bands (RSBs) covering a spectral range from 0.412 to 2.13 μm. The RSBs are calibrated on orbit using a solar diffuser (SD) and an SD stability monitor and with additional measurements from lunar observations via a space view (SV) port. Selected pseudo-invariant desert sites are also used to track the RSB on-orbit gain change, particularly for short-wavelength bands. MODIS views the Earth surface, SV, and the onboard calibrators using a two-sided scan mirror. The response versus scan angle (RVS) of the scan mirror was characterized prior to launch, and its changes are tracked using observations made at different angles of incidence from onboard SD, lunar, and Earth view (EV) measurements. These observations show that the optical properties of the scan mirror have experienced large wavelength-dependent degradation in both the visible and near infrared spectral regions. Algorithms have been developed to track the on-orbit RVS change using the calibrators and the selected desert sites. These algorithms have been applied to both Terra and Aqua MODIS Level 1B (L1B) to improve the EV data accuracy since L1B Collection 4, refined in Collection 5, and further improved in the latest Collection 6 (C6). In C6, two approaches have been used to derive the time-dependent RVS for MODIS RSB. The first approach relies on data collected from sensor onboard calibrators and mirror side ratios from EV observations. The second approach uses onboard calibrators and EV response trending from selected desert sites. This approach is mainly used for the bands with much larger changes in their time-dependent RVS, such as the Terra MODIS bands 1-4, 8, and 9 and the Aqua MODIS bands 8- and 9. In this paper, the algorithms of these approaches are described, their performance is demonstrated, and their impact on L1B products is discussed. In general, the shorter wavelength bands have experienced a larger on-orbit RVS change, which, in general, are mirror side and detector dependent. The on-orbit RVS change due to the degradation of band 8 can be as large as 35 percent for Terra MODIS and 20 percent for Aqua MODIS. Vital to maintaining the accuracy of the MODIS L1B products is an accurate characterization of the on-orbit RVS change. The derived time-independent RVS, implemented in C6, makes an important improvement to the quality of the MODIS L1B products.

MODIS↗

Challenges in Modelling of Lightning-Induced Delamination; Effect of Temperature-Dependent Interfacial Properties

Lightning is a major cause of damage in laminated composite aerospace structures during flight. Due to the dielectric nature of Carbon fiber reinforced polymers (CFRPs), the high energy induced by lightning strike transforms into extreme, localized surface temperature accompanied with a high-pressure shockwave resulting in extensive damage. It is crucial to develop a numerical tool capable of predicting the damage induced from a lightning strike to supplement extremely expensive lightning experiments. Delamination is one of the most significant failure modes resulting from a lightning strike. It can be extended well beyond the visible damage zone, and requires sophisticated techniques and equipment to detect. A popular technique used to model delamination is the cohesive zone approach. Since the loading induced from a lightning strike event is assumed to consist of extreme localized heating, the cohesive zone formulation should additionally account for temperature effects. However, the sensitivity to this dependency remains unknown. Therefore, the major focus point of this work is to investigate the importance of this dependency via defining various temperature dependency profiles for the cohesive zone properties, and analyzing the corresponding delamination area. Thus, a detailed numerical model consisting of multidirectional composite plies with temperature-dependent cohesive elements in between is subjected to lightning (excessive amount of heat and pressure) and delamination/damage expansion is studied under specified conditions.

interlaminar damage↗

Initial Investigation of the Angular Dependence of the NOAA-20 VIIRS Solar Diffuser BRDF Change Factor

The NOAA-20 (formerly the Joint Polar Satellite System-1) satellite was launched on November 18, 2017. One of the five scientific instruments aboard the NOAA-20 satellite (N20) is the Visible Infrared Imaging Radiometer Suite (VIIRS). The VIIRS scans the earth surface in 22 spectral bands, of which 14 are denoted as the reflective solar bands (RSBs) with design band central wavelengths from 412 to 2250 nm. The VIIRS regularly performs on-orbit radiometric calibration of its RSBs, primarily through observations of an onboard sunlit solar diffuser (SD). The on-orbit change of the SD bidirectional reflectance distribution function (BRDF) value, denoted as the H-factor, is determined by an onboard solar diffuser stability monitor (SDSM). We have shown that the H-factor for the SD on the VIIRS instrument on the Suomi National Polar-orbiting Partnership (SNPP) satellite is both incident and outgoing sunlight direction dependent. This angular dependence profoundly affects the on-orbit radiometric calibration process and results. Here, we give preliminary results for the angular dependence for the N20 VIIRS SD H-factor, and compare the dependence with that for the SNPP VIIRS.

radiometric calibration↗

Positional Dependence of SNPP VIIRS Solar Diffuser BRDF Change Factor: An Empirical Approach

The Earth-observing Visible Infrared Imaging Radiometer Suite (VIIRS) on the Suomi National Polar-orbiting Partnership satellite regularly performs on-orbit radiometric calibration of its reflective solar bands (RSBs), primarily through observations of an onboard sunlit solar diffuser (SD). The on-orbit change of the SD bidirectional reflectance distribution function (BRDF) value, quantified by a numerical factor called the H-factor, is determined by the onboard SD stability monitor. Our previous study showed that the H-factor is solar angle and view direction dependent. In this study, we determine the dependence of the H-factor on the detector SD view footprint location. We fit an empirical model to the NASA Collection 1 SNPP VIIRS Level 1B (L1B) spectral reflectance difference across the detectors in an RSB over uniform Earth scenes of the Libya 4 desert and deep convective clouds. We apply the model predicted SD positional dependent H-factor to calibrate the RSBs. Under this new calibration scheme, the original unreal striping is removed from the homogeneous Libya 4 desert and the deep convective cloud images, as well as the original unreal striping from the Dunhuang desert image. The SD positional dependent H-factor has been used to calculate the SNPP VIIRS RSB radiometric correction factor for the NASA Collection 2.0 SNPP VIIRS L1B products.

SNPP VIIRS↗

Space-Dependent Wielandt Shift Methods for Multigroup Diffusion Eigenvalue Problems

In the calculation of neutronic eigenfunctions and eigenvalues, it is often desirable to approximate the neutron transport equation by a diffusion equation that requires significantly less computational resources to solve. Even when a full transport solution is needed, the solution of the diffusion system can be used to accelerate iterative methods for calculating the transport eigenfunction and eigenvalue. The convergence rate of the basic power iteration method for eigenvalue problems is governed by the dominance ratio; realistic reactor core problems often have high dominance ratios and the power iteration method can converge slowly as a result. A common technique for accelerating the convergence of power iteration is the Wielandt shift (WS) method, which reduces the dominance ratio by 'shifting' the eigenvalue spectrum using an estimate of the desired eigenvalue. WS provides a significant speedup over power iteration if the eigenvalue estimate is close to the true eigenvalue, but it can be difficult to obtain such an estimate. In practice, the shift in the WS method can be dynamically updated in the iteration scheme, in a way that depends on the eigenvalue estimates from the most recent iterations. We present a physically-motivated Space-Dependent Wielandt Shift (SDWS) for solving multigroup diffusion eigenvalue problems. The space-dependence of the eigenvalue shift in SDWS enables a more effective acceleration of the power iteration scheme than WS at the beginning of the iteration scheme, when the current estimate of the eigenvalue is not close to the actual eigenvalue. Several variants of SDWS are discussed here, including an SDWS method that combines the strengths of SDWS (in the early iterations) with those of standard WS (in the later iterations). Numerical results from a 1-D multigroup diffusion problem demonstrate an order of magnitude speedup over power iteration and a 41% speedup over a standard WS technique. This speedup is problem-dependent and appears to be greater for 'more difficult' problems. In this summary, the term 'speedup' refers to a reduction in the number of iterations required to converge to the correct eigenvalue and eigenfunction. Because the scattering is treated fully implicitly (i.e., it is part of the left-hand side of the diffusion system and directly inverted), the computational cost of a single iteration does not vary significantly among the methods discussed in this summary. The number of iterations is therefore representative of the total computational cost for a method. We acknowledge that certain iterative solvers for linear systems (e.g., GMRES) require more computational time to converge when the system is nearly singular (i.e., when a very aggressive Wielandt shift is applied). Nonetheless, when using SDWS in the manner described in this summary, we have seen that the reduction in computational time from reducing the number of power iterations generally outweighs the extra computational time required by iterative solvers such as GMRES. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗