Simulation of Stochastic Quantum Systems Using Polynomial Chaos Expansions.
Abstract not provided.
Young, Kevin C↗
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Generalized Wilson-Fisher Critical Points from the Conformal Operator Product Expansion
Not Available
Gliozzi, Ferdinando↗
Converging High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions
Not Available
Deustua, J. Emiliano↗
Thermal expansion and phase transformation in the rare earth di-titanate (R 2Ti2O7) system
Explore the source record for details and available documents.
99 GENERAL AND MISCELLANEOUS↗
Adaptive Transmission Planning: Implementing a New Paradigm for Managing Economic Risks in Grid Expansion
The problem of whether, where, when, and what type of transmission facilities to build in terms of minimizing costs and maximizing net economic benefits has been a challenge for the power industry from the beginning-ever since Thomas Edison debated whether to create longer dc distribution lines (with their high losses) or build new power stations in expanding his urban markets. Today's planning decisions are far more complex, as grids cover the continent and new transmission, generation, and demand-side technologies are emerging.
24 POWER TRANSMISSION AND DISTRIBUTION↗
Grid Expansion Planning for Carbon Emissions Reduction
There is a need to upgrade and expand electric power transmission and generation to meet specified renewable energy targets and simultaneously minimize construction cost and carbon emissions. Some challenges are: (1) Renewable energy sources have variable production capacity; (2) Deficiency of transmission capacity at desirable renewable generation locations; (3) Need to incorporate models of operations into planning studies; and (4) Prevent undesirable operational outcomes such as negative dispatch prices or curtailment of carbon neutral generation.
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
Electric Grid Expansion Planning with High Levels of Variable Generation
Renewables are taking a large proportion of generation capacity in U.S. power grids. As their randomness has increasing influence on power system operation, it is necessary to consider their impact on system expansion planning. To this end, this project studies the generation and transmission expansion co-optimization problem of the US Eastern Interconnection (EI) power grid with a high wind power penetration rate. In this project, the generation and transmission expansion problem for the EI system is modeled as a mixed-integer programming (MIP) problem. This study analyzed a time series creation method to capture the diversity of load and wind power across balancing regions in the EI system. The obtained time series can be easily introduced into the MIP co-optimization problem and then solved robustly through available MIP solvers. Simulation results show that the proposed time series generation method and the expansion co-optimization model and can improve the expansion result significantly after considering the diversity of wind and load across EI regions. The improved expansion plan that combines generation and transmission will aid system planners and policy makers to maximize the social welfare. This study shows that modelling load and wind variations and diversities across balancing regions will produce significantly different expansion result compared with former studies. For example, if wind is modeled in more details (by increasing the number of wind output levels) so that more wind blocks are considered in expansion planning, transmission expansion will be larger and the expansion timing will be earlier. Regarding generation expansion, more wind scenarios will slightly reduce wind generation expansion in the EI system and increase the expansion of other generation such as gas. Also, adopting detailed wind scenarios will reveal that it may be uneconomic to expand transmission networks for transmitting a large amount of wind power through a long distance in the EI system. Incorporating more details of renewables in expansion planning will inevitably increase the computational burden. Therefore, high performance computing (HPC) techniques are urgently needed for power system operation and planning optimization. As a scoping study task, this project tested some preliminary parallel computation techniques such as breaking down the simulation task into several sub-tasks based on chronology splitting or sample splitting, and then assigning these sub-tasks to different cores. Testing results show significant time reduction when a simulation task is split into several sub-tasks for parallel execution.
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
Binary, ternary and quaternary silicates of CaO, BaO and ZnO in high thermal expansion seals for solid oxide fuel cells studied by high-temperature X-ray diffraction (HT-XRD)
Highlights: Black-Right-Pointing-Pointer We examined the thermal expansion of various silicates of CaO, BaO and ZnO. Black-Right-Pointing-Pointer Thermal expansions were determined by dilatometry and high-temperature X-ray diffraction. Black-Right-Pointing-Pointer High-temperature X-ray diffraction enabled to determine anisotropic thermal expansion. Black-Right-Pointing-Pointer CaSiO{sub 3}, Ca{sub 3}Si{sub 2}O{sub 7} and BaCa{sub 2}Si{sub 3}O{sub 9} exhibit the highest thermal expansion. Black-Right-Pointing-Pointer CaSiO{sub 3}, Ca{sub 3}Si{sub 2}O{sub 7} and BaCa{sub 2}Si{sub 3}O{sub 9} are suitable as components in high temperature seals. -- Abstract: Gas-tight seals based on glasses suitable for joining of materials with high thermal expansion coefficients are for example required for solid-oxide fuel cells. If these seals are to be used at high temperatures, they can only be fabricated from glasses which enable the crystallization of phases with high thermal expansion coefficients. This paper reports on some components from systems suitable for high thermal expansion seals: binary calcium silicates, CaSiO{sub 3}, Ca{sub 3}Si{sub 2}O{sub 7} and Ca{sub 2}SiO{sub 4} zinc silicates, Zn{sub 2}SiO{sub 4}, ternary silicates of BaO, CaO and ZnO, BaCa{sub 2}Si{sub 3}O{sub 9}, Ca{sub 2}ZnSi{sub 2}O{sub 7}, and one quaternary silicate, Ba{sub 2}CaZn{sub 2}Si{sub 6}O{sub 17,} studied by high-temperature X-ray diffraction. Only CaSiO{sub 3}, Ca{sub 3}Si{sub 2}O{sub 7} and BaCa{sub 2}Si{sub 3}O{sub 9} exhibit thermal expansion coefficients in the range suitable for high thermal expansion seals of 11.2-11.8 Multiplication-Sign 10{sup -6} K{sup -1} (100-800 Degree-Sign C). The thermal expansions strongly depend on the respective crystallographic axis. The coefficient of thermal expansion of a sealing glass is not only affected by the thermal expansions of the crystalline phases, but also by that of the residual glassy phase as well as by the elastic properties. The phase formation should carefully be controlled also with respect to aging.
36 MATERIALS SCIENCE↗
The roles of the binodal curve and the spinodal curve in expansions from the supercritical state with flashing
Data extracted from time-of-flight (TOF) measurements made on steady-state He free jets at Göttingen already in 1986 and for pulsed Ne free jets investigated recently at Tel Aviv have been added to an earlier plot of terminal condensed-phase mass fraction x{sub 2∞} as a function of the dimensionless scaling parameter Γ. Γ characterizes the source (fluid species, temperature, pressure and throat diameter); values of x{sub 2∞} are extracted from TOF measurements using conservation of energy in the free-jet expansion. For nozzles consisting of an orifice in a thin plate; the extracted data yield 22 data points which are correlated satisfactorily by a single curve. The Ne free jets were expanded from a conical nozzle with a 20° half angle; the three extracted data points stand together but apart from the aforementioned curve, indicating that the presence of the conical wall influences significantly the expansion and hence the condensation. The 22 data points for the expansions via an orifice consist of 15 measurements with expansions from the gas-phase side of the binodal curve which crossed the binodal curve downstream from the sonic point and 7 measurements with expansions of the gas-phase product of the flashing which occurred after an expansion from the liquid-phase side of the binodal curve crossed the binodal curve upstream from the sonic point. The association of these 22 points with a single curve supports the alternating-phase model for flows with flashing upstream from the sonic point proposed earlier. In order to assess the role of the spinodal curve in such expansions, the spinodal curves for He and Ne were computed using general multi-parameter Helmholtz-free-energy equation-of-state formulations. Then, for the several sets of source-chamber conditions used in the free-jet measurements, thermodynamic states at key locations in the free-jet expansions (binodal curve, sonic point and spinodal curve) were evaluated, with the expansion presumed to be metastable from the binodal curve to the spinodal curve. TOF distributions with more than two peaks (interpreted earlier as superimposed alternating-state TOF distributions) indicated flashing of the metastable flow downstream from the binodal curve but upstream from the sonic point. This relatively early flashing is due apparently to destabilizing interactions with the walls of the source. If the expansion crosses the binodal curve downstream from the nozzle, the metastable fluid does not interact with surfaces and flashing might be delayed until the expansion reaches the spinodal curve. It is concluded that, if the expansion crosses the binodal curve before reaching the sonic point, the resulting metastable fluid downstream from the binodal curve interacts with the adjacent surfaces and flashes into liquid and vapor phases which expand alternately through the nozzle; the two associated alternating TOF distributions are superposed by the chopping process so that the result has the appearance of a single distribution with three peaks.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
SU-E-J-221: A Novel Expansion Method for MRI Based Target Delineation in Prostate Radiotherapy
Purpose: To compare a novel bladder/rectum carveout expansion method on MRI delineated prostate to standard CT and expansion based methods for maintaining prostate coverage while providing superior bladder and rectal sparing. Methods: Ten prostate cases were planned to include four trials: MRI vs CT delineated prostate/proximal seminal vesicles, and each image modality compared to both standard expansions (8mm 3D expansion and 5mm posterior, i.e. ∼8mm) and carveout method expansions (5mm 3D expansion, 4mm posterior for GTV-CTV excluding expansion into bladder/rectum followed by additional 5mm 3D expansion to PTV, i.e. ∼1cm). All trials were planned to total dose 7920 cGy via IMRT. Evaluation and comparison was made using the following criteria: QUANTEC constraints for bladder/rectum including analysis of low dose regions, changes in PTV volume, total control points, and maximum hot spot. Results: ∼8mm MRI expansion consistently produced the most optimal plan with lowest total control points and best bladder/rectum sparing. However, this scheme had the smallest prostate (average 22.9% reduction) and subsequent PTV volume, consistent with prior literature. ∼1cm MRI had an average PTV volume comparable to ∼8mm CT at 3.79% difference. Bladder QUANTEC constraints were on average less for the ∼1cm MRI as compared to the ∼8mm CT and observed as statistically significant with 2.64% reduction in V65. Rectal constraints appeared to follow the same trend. Case-by-case analysis showed variation in rectal V30 with MRI delineated prostate being most favorable regardless of expansion type. ∼1cm MRI and ∼8mm CT had comparable plan quality. Conclusion: MRI delineated prostate with standard expansions had the smallest PTV leading to margins that may be too tight. Bladder/rectum carveout expansion method on MRI delineated prostate was found to be superior to standard CT based methods in terms of bladder and rectal sparing while maintaining prostate coverage. Continued investigation is warranted for further validation.
60 APPLIED LIFE SCIENCES↗
Mode Conversion Losses in Expansion Units for ITER ECH Transmission Lines
The ITER electron cyclotron heating transmission lines will consist of 63.5 mm diameter corrugated waveguides, each carrying 1 MW of 170 GHz microwaves. These transmission lines must include expansion units to accommodate expansion and contraction along the path from the gyrotron microwave sources to the tokamak. A numerical mode matching code has been developed to calculate power losses due to mode conversion of the operating mode, HE11, to higher order modes as a result of the radial discontinuities in a sliding joint. Two expansion unit designs were evaluated, a simple gap expansion unit and a more complex tapered expansion unit. The gap expansion unit demonstrated loss that oscillated rapidly with expansion length, due to trapped modes within the unit. The tapered expansion unit has been shown to effectively suppress these trapped modes at the expense of increased fabrication complexity. In a gap expansion unit, for a waveguide step size of 2.5 mm, loss can be kept below 0.1% to a maximum expansion length of 17 mm. Expansion units without corrugation on interior walls were also evaluated. Expansion units that lack corrugations are found to increase mode trapping within the units, though not beyond useful application. The mode matching code developed in this paper was also used to estimate mode conversion loss in vacuum pumpouts for the ECH lines; the estimated loss was found to be negligibly small.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Thermal Expansion of Polyurethane Foam
Closed cell foams are often used for thermal insulation. In the case of the Space Shuttle, the External Tank uses several thermal protection systems to maintain the temperature of the cryogenic fuels. A few of these systems are polyurethane, closed cell foams. In an attempt to better understand the foam behavior on the tank, we are in the process of developing and improving thermal-mechanical models for the foams. These models will start at the microstructural level and progress to the overall structural behavior of the foams on the tank. One of the key properties for model characterization and verification is thermal expansion. Since the foam is not a material, but a structure, the modeling of the expansion is complex. It is also exacerbated by the anisoptropy of the material. During the spraying and foaming process, the cells become elongated in the rise direction and this imparts different properties in the rise direction than in the transverse directions. Our approach is to treat the foam as a two part structure consisting of the polymeric cell structure and the gas inside the cells. The polymeric skeleton has a thermal expansion of its own which is derived from the basic polymer chemistry. However, a major contributor to the thermal expansion is the volume change associated with the gas inside of the closed cells. As this gas expands it exerts pressure on the cell walls and changes the shape and size of the cells. The amount that this occurs depends on the elastic and viscoplastic properties of the polymer skeleton. The more compliant the polymeric skeleton, the more influence the gas pressure has on the expansion. An additional influence on the expansion process is that the polymeric skeleton begins to breakdown at elevated temperatures and releases additional gas species into the cell interiors, adding to the gas pressure. The fact that this is such a complex process makes thermal expansion ideal for testing the models. This report focuses on the thermal expansion tests and the response of the microstructure. A novel optical method is described which is appropriate for measuring thermal expansion at high temperatures without influencing the thermal expansion measurement. Detailed microstructural investigations will also be described which show cell expansion as a function of temperature. Finally, a phenomenological model on thermal expansion will be described.
Lerch, Bradley A.↗
Consistent spatial expansion functions on hexagonal surfaces for use in radiation transport methods
Some of the radiation transport solvers that are based on expansion function methods in hexagonal geometry generally use projection techniques that transform the spatial dependence of the angular flux in hexagonal geometry to Cartesian geometry by mapping and then expanding in terms of expansion functions (e.g., Legendre polynomials). However, this approach usually requires a relatively higherorder expansion in space for accurate representation of the spatial distribution of the flux. To overcome this limitation, a set of consistent spatial expansion functions have been developed in hexagonal geometry in this paper. These functions satisfy the orthogonality condition on hexagonal surfaces and guarantee the conservation of currents after expansion regardless of the truncation order. The latter is an important property for preservation of neutron balance. The new spatial expansion method has been implemented into the coarse mesh radiation transport (COMET) code and tested in both the single assembly and the full core Advanced High Temperature Reactor (AHTR) benchmark problems. The eigenvalues and assembly-averaged and stripe-wise fission density distributions predicted by the new method with 2nd order spatial expansion functions were found to exhibit similar accuracy as those computed by the current mapping method with 4th order spatial expansion functions. This indicates that the angular fluxes in AHTRs can be predominantly represented by a low order expansion if the new spatial expansion functions are used. As a result, to maintain the same accuracy, the computational efficiency of COMET is improved significantly (2–5 times) by using the new spatial expansion method.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Effects of restraint on expansion due to delayed ettringite formation
Delayed ettringite formation (DEF) is a chemical reaction that causes expansion in civil engineering structures. The safety level of such damaged structures has to be reassessed. To do this, the mechanical conditions acting on DEF expansions have to be analysed and, in particular, the variation of strength with expansion and the effect of restraint on the DEF expansion. This paper highlights several points: DEF expansion is isotropic in stress-free conditions, compressive stresses decrease DEF expansion in the direction subjected to restraint and lead to cracks parallel to the restraint, and expansion measured in the stress-free direction of restrained specimens is not modified. Thus restraint causes a decrease of the volumetric expansion and DEF expansion under restraint is anisotropic. Moreover, the paper examines the correlation between DEF expansion and concrete damage, providing data that can be used for the quantification of the effect of stresses on DEF induced expansion.
36 MATERIALS SCIENCE↗
Comparison among Magnus/Floquet/Fer expansion schemes in solid-state NMR
We here revisit expansion schemes used in nuclear magnetic resonance (NMR) for the calculation of effective Hamiltonians and propagators, namely, Magnus, Floquet, and Fer expansions. While all the expansion schemes are powerful methods there are subtle differences among them. To understand the differences, we performed explicit calculation for heteronuclear dipolar decoupling, cross-polarization, and rotary-resonance experiments in solid-state NMR. As the propagator from the Fer expansion takes the form of a product of sub-propagators, it enables us to appreciate effects of time-evolution under Hamiltonians with different orders separately. While 0th-order average Hamiltonian is the same for the three expansion schemes with the three cases examined, there is a case that the 2nd-order term for the Magnus/Floquet expansion is different from that obtained with the Fer expansion. The difference arises due to the separation of the 0th-order term in the Fer expansion. The separation enables us to appreciate time-evolution under the 0th-order average Hamiltonian, however, for that purpose, we use a so-called left-running Fer expansion. Comparison between the left-running Fer expansion and the Magnus expansion indicates that the sign of the odd orders in Magnus may better be reversed if one would like to consider its effect in order.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
SU-F-J-132: Evaluation of CTV-To-PTV Expansion for Whole Breast Radiotherapy
Purpose: The current standard CTV-to-PTV expansion for whole breast radiotherapy (WBRT) is 7mm, as recommended by RTOG-1005.This expansion is derived from the uncertainty due to patient positioning (±5mm) and respiratory motion (±5mm). We evaluated the expansion needed for respiratory motion uncertainty using 4DCT. After determining the appropriate expansion margins, RT plans were generated to evaluate the reduction in heart and lung dose. Methods: 4DCT images were acquired during treatment simulation and retrospectively analyzed for 34 WBRT patients. Breast CTVs were contoured on the maximum inhale and exhale phase. Breast CTV displacement was measured in the L-R, A-P, and SUP-INF directions using rigid registration between phase images. Averaging over the 34 patients, we determined the margin due to respiratory motion. Plans were generated for 10 left-sided cases comparing the new expansion with the 7mm PTV expansion. Results: The results for respiratory motion uncertainty are shown in Table 1. Drawing on previous work by White et al at Princess Margaret Hospital (1) (see supporting document for reference) which studied the uncertainty due to patient positioning, we concluded that, in total, a 5mm expansion was sufficient. The results for our suggested PTV margin are shown in Table 2, combining the patient positioning results from White et al with our respiratory motion results. The planning results demonstrating the heart and lung dose differences in the 5mm CTV-to-PTV expanded plan compared to the 7mm plan are shown in Table 3. Conclusion: Our work evaluating the expansion needed for respiratory motion along with previous work evaluating the expansion needed for setup uncertainty shows that a CTV-to-PTV expansion of 5mm is acceptable and conservative. By reducing the PTV expansion, significant dose reduction to the heart and lung are achievable.
60 APPLIED LIFE SCIENCES↗
Atomistic Simulations of Thermal and Chemical Expansions of PrNi x Co 1‐x O 3‐δ Accelerated by Machine Learning Potentials
The electrodes and solid-state electrolytes in protonic ceramic electrochemical cells (PCECs) experience significant lattice expansions when exposed to high steam concentrations at elevated temperatures. In this paper, phonon calculations based on a new machine learning potential (MLP) are employed to elucidate the volume expansions of the proton-conducting PrNi x Co 1-x O 3-δ (PNC) lattices, manifested under a combined influence of oxygen vacancies (V$^{\cdot\cdot}_O$ ) and proton uptake (OH$^{\cdot}_O$ ) in the bulk at varying Ni/Co occupancies. It is revealed that the Ni/Co occupancy contributes to thermal and chemical expansions differently, where thermal expansions are related to Co occupancy. In contrast, chemical expansions are more closely associated with the Ni occupancy. Both V$^{\cdot\cdot}_O$ and OH$^{\cdot}_O$ lead to higher thermal expansions when compared to the pristine PNC. The temperature increase will negatively impact the hydration-induced chemical expansions. For combined thermal and chemical expansions, it is predicted that the strategies that boost the PCEC's electrochemical performance may harm the electrode–electrolyte interfacial stability, when the Ni occupancy is high, due to severe chemical expansions. Mitigating chemical expansions of the Ni-abundant PNC will benefit the interfacial stability. Finally, the presented computational methods for phonon calculations, based on emerging machine learning interatomic potential techniques are anticipated to have a lasting impact on future PCEC development.
computational prediction↗
Thermal expansion of Ba{sub 2}ZnSi{sub 2}O{sub 7}, BaZnSiO{sub 4} and the solid solution series BaZn{sub 2-x}Mg{sub x}Si{sub 2}O{sub 7} (0{<=}x{<=}2) studied by high-temperature X-ray diffraction and dilatometry
The thermal expansion behavior of Ba{sub 2}ZnSi{sub 2}O{sub 7}, BaZnSiO{sub 4} and BaZn{sub 2}Si{sub 2}O{sub 7} is characterized by both high-temperature X-ray diffraction (HT-XRD) and dilatometry. Ba{sub 2}ZnSi{sub 2}O{sub 7} and BaZnSiO{sub 4} show a thermal expansion (100-800 Degree-Sign C) in the range from 8.9 to 10.4 Multiplication-Sign 10{sup -6} K{sup -1}. By contrast, BaZn{sub 2}Si{sub 2}O{sub 7} has a much higher thermal expansion in the low-temperature modification and shows a phase transition at 280 Degree-Sign C which runs parallel with a steep increase in cell volume. This phase transition is also observed in the solid solution series BaZn{sub 2-x}Mg{sub x}Si{sub 2}O{sub 7}, but it is shifted to higher temperatures and to a smaller volume change with increasing Mg{sup 2+} concentration. This solid solution series is characterized by dilatometry, X-ray diffraction and differential scanning calorimetry. An adjustment of the MgO/ZnO-ratio enables the preparation of materials with a large variety of thermal expansions. - Graphical abstract: XRD-patterns of Ba{sub 2}ZnSi{sub 2}O{sub 7} were recorded at different temperatures (left). For each XRD-pattern a Rietveld-refinement was performed, the image in the middle shows the XRD-pattern measured at room temperature (circles), the Rietveld calculation (red line) and the difference between them (blue line). The lattice parameters derived hereof were plottet against the temperature and fitted to a polynomial (right picture). From those polynomials the lattice expansion was calculated. Highlights: Black-Right-Pointing-Pointer We examined the thermal expansion of Ba{sub 2}ZnSi{sub 2}O{sub 7}, BaZnSiO{sub 4} and BaZn{sub 2-x}Mg{sub x}Si{sub 2}O{sub 7}. Black-Right-Pointing-Pointer Thermal expansions were determined by dilatometry and high-temperature X-ray diffraction. Black-Right-Pointing-Pointer High-temperature X-ray diffraction enabled to determine anisotropic thermal expansion. Black-Right-Pointing-Pointer BaZn{sub 2}Si{sub 2}O{sub 7} exhibits the highest thermal expansion due to a phase transition. Black-Right-Pointing-Pointer Substitution of small amounts of Zn{sup 2+} for Mg{sup 2+} leads to a decrease in thermal expansion.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗