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At least 883 records · Page 49

Local hybrid functionals with orbital-free mixing functions and balanced elimination of self-interaction error

The recently introduced density overlap regions indicator (DORI) [P. de Silva and C. Corminboeuf, J. Chem. Theory Comput. 10(9), 3745–3756 (2014)] is a density-dependent scalar field revealing regions of high density overlap between shells, atoms, and molecules. In this work, we exploit its properties to construct local hybrid exchange-correlation functionals aiming at balanced reduction of the self-interaction error. We show that DORI can successfully replace the ratio of the von Weizsäcker and exact positive-definite kinetic energy densities, which is commonly used in mixing functions of local hybrids. Additionally, we introduce several semi-empirical parameters to control the local and global admixture of exact exchange. The most promising of our local hybrids clearly outperforms the underlying semi-local functionals as well as their global hybrids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluation of reconstruction errors and identification of artefacts for JET gamma and neutron tomography

The Joint European Torus (JET) neutron profile monitor ensures 2D coverage of the gamma and neutron emissive region that enables tomographic reconstruction. Due to the availability of only two projection angles and to the coarse sampling, tomographic inversion is a limited data set problem. Several techniques have been developed for tomographic reconstruction of the 2-D gamma and neutron emissivity on JET, but the problem of evaluating the errors associated with the reconstructed emissivity profile is still open. The reconstruction technique based on the maximum likelihood principle, that proved already to be a powerful tool for JET tomography, has been used to develop a method for the numerical evaluation of the statistical properties of the uncertainties in gamma and neutron emissivity reconstructions. The image covariance calculation takes into account the additional techniques introduced in the reconstruction process for tackling with the limited data set (projection resampling, smoothness regularization depending on magnetic field). The method has been validated by numerically simulations and applied to JET data. Different sources of artefacts that may significantly influence the quality of reconstructions and the accuracy of variance calculation have been identified.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Dynamical error bounds for continuum discretisation via Gauss quadrature rules—A Lieb-Robinson bound approach

Instances of discrete quantum systems coupled to a continuum of oscillators are ubiquitous in physics. Often the continua are approximated by a discrete set of modes. We derive error bounds on expectation values of system observables that have been time evolved under such discretised Hamiltonians. These bounds take on the form of a function of time and the number of discrete modes, where the discrete modes are chosen according to Gauss quadrature rules. The derivation makes use of tools from the field of Lieb-Robinson bounds and the theory of orthonormal polynomials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Communication: Toward an improved control of the fixed-node error in quantum Monte Carlo: The case of the water molecule

All-electron Fixed-node Diffusion Monte Carlo calculations for the nonrelativistic ground-state energy of the water molecule at equilibrium geometry are presented. The determinantal part of the trial wavefunction is obtained from a selected Configuration Interaction calculation [Configuration Interaction using a Perturbative Selection done Iteratively (CIPSI) method] including up to about 1.4 × 10{sup 6} of determinants. Calculations are made using the cc-pCVnZ family of basis sets, with n = 2 to 5. In contrast with most quantum Monte Carlo works no re-optimization of the determinantal part in presence of a Jastrow is performed. For the largest cc-pCV5Z basis set the lowest upper bound for the ground-state energy reported so far of −76.437 44(18) is obtained. The fixed-node energy is found to decrease regularly as a function of the cardinal number n and the Complete Basis Set limit associated with exact nodes is easily extracted. The resulting energy of −76.438 94(12) — in perfect agreement with the best experimentally derived value — is the most accurate theoretical estimate reported so far. We emphasize that employing selected configuration interaction nodes of increasing quality in a given family of basis sets may represent a simple, deterministic, reproducible, and systematic way of controlling the fixed-node error in diffusion Monte Carlo.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Compensation of X-ray mirror shape-errors using refractive optics

Focusing of X-rays to nanometre scale focal spots requires high precision X-ray optics. For nano-focusing mirrors, height errors in the mirror surface retard or advance the X-ray wavefront and after propagation to the focal plane, this distortion of the wavefront causes blurring of the focus resulting in a limit on the spatial resolution. We describe here the implementation of a method for correcting the wavefront that is applied before a focusing mirror using custom-designed refracting structures which locally cancel out the wavefront distortion from the mirror. We demonstrate in measurements on a synchrotron radiation beamline a reduction in the size of the focal spot of a characterized test mirror by a factor of greater than 10 times. This technique could be used to correct existing synchrotron beamline focusing and nanofocusing optics providing a highly stable wavefront with low distortion for obtaining smaller focus sizes. This method could also correct multilayer or focusing crystal optics allowing larger numerical apertures to be used in order to reduce the diffraction limited focal spot size.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Dependence of the bit error rate on the signal power and length of a single-channel coherent single-span communication line (100 Gbit s{sup -1}) with polarisation division multiplexing

We have studied experimentally and using numerical simulations and a phenomenological analytical model the dependences of the bit error rate (BER) on the signal power and length of a coherent single-span communication line with transponders employing polarisation division multiplexing and four-level phase modulation (100 Gbit s{sup -1} DP-QPSK format). In comparing the data of the experiment, numerical simulations and theoretical analysis, we have found two optimal powers: the power at which the BER is minimal and the power at which the fade margin in the line is maximal. We have derived and analysed the dependences of the BER on the optical signal power at the fibre line input and the dependence of the admissible input signal power range for implementation of the communication lines with a length from 30 – 50 km up to a maximum length of 250 km. (optical transmission of information)

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A Bayesian Measurment Error Model for Misaligned Radiographic Data

An understanding of the inherent variability in micro-computed tomography (micro-CT) data is essential to tasks such as statistical process control and the validation of radiographic simulation tools. The data present unique challenges to variability analysis due to the relatively low resolution of radiographs, and also due to minor variations from run to run which can result in misalignment or magnification changes between repeated measurements of a sample. Positioning changes artificially inflate the variability of the data in ways that mask true physical phenomena. We present a novel Bayesian nonparametric regression model that incorporates both additive and multiplicative measurement error in addition to heteroscedasticity to address this problem. We also use this model to assess the effects of sample thickness and sample position on measurement variability for an aluminum specimen. Supplementary materials for this article are available online.

97 MATHEMATICS AND COMPUTING↗

Decoupled recovery of energy and momentum with correction of n = 2 error fields

Experiments applying known n = 2 “proxy” error fields (EFs) find that the rotation braking introduced by the proxy EF cannot be completely alleviated through optimal n = 2 correction with poorly matched poloidal spectra. This imperfect performance recovery demonstrates the importance of correcting multiple components of the n = 2 field spectrum and is in contrast to previous results with n = 1 EFs despite similar execution. Measured optimal n = 2 proxy EF correction currents are consistent with those required to null dominant mode coupling to the resonant surfaces and minimize the neoclassical toroidal viscosity (NTV) torque, calculated using ideal MHD plasma response computation. Unlike rotation braking, density pumpout can be fully corrected despite poorly matched spectra, indicating density pumpout is driven only by a single component proportional to the resonant coupling. Through precise n = 2 spectral control density pumpout and rotation braking can thus be decoupled. Rotation braking with n = 2 fields is also found to be proportional to the level of concurrent toroidal rotation, consistent with NTV theory. Lastly, plasmas with modest countercurrent rotation are insensitive to the n = 2 field with neither rotation braking nor density pumpout observed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Effect of error field correction coils on W7-X limiter loads

In the first campaign Wendelstein 7-X was operated with five poloidal graphite limiters installed stellarator symmetrically. In an ideal situation the power losses would be equally distributed between the limiters. The limiter shape was designed to smoothly distribute the heat flux over two strike lines. Vertically the strike lines are not uniform because of different connection lengths. In this paper it is demonstrated both numerically and experimentally that the heat flux distribution can be significantly changed by non-resonant $n=1$ perturbation field of the order of $10^{-4}$ . Numerical studies are performed with field line tracing. In experiments perturbation fields are excited with five error field trim coils. The limiters are diagnosed with infrared cameras, neutral gas pressure gauges, thermocouples and spectroscopic diagnostics. Experimental results are qualitatively consistent with the simulations. With a suitable choice of the phase and amplitude of the perturbation a more symmetric plasma-limiter interaction can be potentially achieved. Finally, these results are also of interest for the later W7-X divertor operation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Simultaneous iterative learning control of mode entrainment and error field

Here, it is shown that static error fields (EFs) can severely limit the maximum rotation frequency achievable in mode entrainment by applied rotating fields. It is also shown that the rotation non-uniformities caused by an EF can be used to diagnose and correct said EF in real time. Simulations using typical DIII-D data show that this can be achieved within a small number of mode rotation periods by an iterative learning control algorithm. Further to rapidly correcting the EF, this gives access to high entrainment frequencies that would not be accessible otherwise, and paves the way to rotational stabilization and improved mode control.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A novel scheme for error field correction in permanent magnet stellarators

Stellarators offer a promising path towards fusion reactors, but their design and construction are complicated by stringent tolerance requirements on highly complex 3D coils. A potential way to simplify the engineering requirements for stellarators is to use simple planar toroidal field coils along with permanent magnet arrays to generate shaping fields. In order to ensure sufficient field accuracy while minimizing engineering complexity and system cost, new techniques are required to correct the field produced by the permanent magnet arrays to within requirements set by plasma physics. This work describes a novel correction method developed for this purpose. This analysis is applied to the design of a quasi-axisymmetric stellarator that employs a combination of permanent magnets and planar toroidal field coils to generate its magnetic field. Analysis techniques and initial results using the method for error correction on a proposed permanent magnet stellarator are shown, and it is demonstrated that the method successfully meets the design requirements of the project.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Error field detection and correction studies towards ITER operation

In magnetic fusion devices, error field (EF) sources, spurious magnetic field perturbations, need to be identified and corrected for safe and stable (disruption-free) tokamak operation. Within Work Package Tokamak Exploitation RT04, a series of studies have been carried out to test the portability of the novel non-disruptive method, designed and tested in DIII-D (Paz-Soldan et al 2022 Nucl. Fusion62 126007), and to perform an assessment of model-based EF control strategies towards their applicability in ITER. In this paper, the lessons learned, the physical mechanism behind the magnetic island healing, which relies on enhanced viscous torque that acts against the static electro-magnetic torque, and the main control achievements are reported, together with the first design of the asynchronous EF correction current/density controller for ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Non-disruptive error field measurement in DIII-D low safety factor plasmas and projection to ITER

Previous experiments in DIII-D (Paz-Soldan et al 2022 Nucl. Fusion 62 126007) introduced a method to identify intrinsic error fields (EFs) in tokamaks with minimal disruption risk by promptly healing driven magnetic islands during the conventional 'compass scan'. This paper presents recent experimental and numerical advancements in extending this approach to low q 95 plasmas, and projects its applicability to ITER. Non-disruptive EF measurement is achieved at q 95 = 4.5 and 3.9 without any initial EF correction (EFC) by reducing the time between the occurrence of the locked mode (LM) and control action to 10 ms and increasing the density 50%–100%. However, 50% correction of the intrinsic EF is required to achieve island healing at q 95 = 3.2 with 10 ms delay for the control action. Nonlinear two-fluid modeling with the TM1 code reproduces the DIII-D experimental observations, indicating that promptly turning off the 3D coil current reduces both magnetic island width and electromagnetic force, while raising the density increases plasma viscosity, facilitating magnetic island healing. The simulations show that for scenarios with q 95 = 3.2, lowering the control action time to 5 ms will lead to island healing without EFC. TM1 simulations are extended to future ITER scenarios with 5 MA and 7.5 MA plasma currents, predicting the dependence of required density rise on action time and EF amplitude. These simulations indicate that, benefiting from the much longer resistive time, island healing can be successfully achieved in ITER when taking control action 100–500 ms after a LM occurrence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Experimental error mitigation using linear rescaling for variational quantum eigensolving with up to 20 qubits

Quantum computers have the potential to help solve a range of physics and chemistry problems, but noise in quantum hardware currently limits our ability to obtain accurate results from the execution of quantum-simulation algorithms. Various methods have been proposed to mitigate the impact of noise on variational algorithms, including several that model the noise as damping expectation values of observables. In this work, we benchmark various methods, including a new method proposed here. Here, we compare their performance in estimating the ground-state energies of several instances of the 1D mixed-field Ising model using the variational-quantum-eigensolver algorithm with up to 20 qubits on two of IBM's quantum computers. We find that several error-mitigation techniques allow us to recover energies to within 10% of the true values for circuits containing up to about 25 ansatz layers, where each layer consists of CNOT gates between all neighboring qubits and Y-rotations on all qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Covariant Quantum Error-Correcting Codes with Metrological Entanglement Advantage

Here, we show that a subset of the basis for the irreducible representations of a tensor-product SU(2) rotation forms a covariant approximate quantum error-correcting code with transversal U(1) logical gates. Generalizing previous work on “thermodynamic codes” to general local spin and different irreducible representations using only properties of the angular momentum algebra, we obtain bounds on the code inaccuracy under generic noise on any known 𝑑 sites, under independent and identically distributed noise, and under heralded 𝑑-local erasures. We demonstrate that this family of codes protects a probe state with quantum Fisher information surpassing the standard quantum limit when the sensing parameter couples to the generator of the U(1) logical gate.

quantum error correction↗

Virtualized Logical Qubits: A 2.5D Architecture for Error-Corrected Quantum Computing

Current, near-term quantum devices have shown great progress in the last several years culminating recently with a demonstration of quantum supremacy. In the medium-term, however, quantum machines will need to transition to greater reliability through error correction, likely through promising techniques like surface codes which are well suited for near-term devices with limited qubit connectivity. We discover quantum memory, particularly resonant cavities with transmon qubits arranged in a 2.5D architecture, can efficiently implement surface codes with substantial hardware savings and performance/fidelity gains. Specifically, we virtualize logical qubits by storing them in layers of qubit memories connected to each transmon. Surprisingly, distributing each logical qubit across many memories has a minimal impact on fault tolerance and results in substantially more efficient operations. Our design permits fast transversal application of CNOT operations between logical qubits sharing the same physical address (same set of cavities) which are 6x faster than standard lattice surgery CNOTs. We develop a novel embedding which saves approximately 10x in transmons with another 2x savings from an additional optimization for compactness. Although qubit virtualization pays a 10x penalty in serialization, advantages in the transversal CNOT and in area efficiency result in fault-tolerance and performance comparable to conventional 2D transmon-only architectures. Our simulations show our system can achieve fault tolerance comparable to conventional two-dimensional grids while saving substantial hardware. Furthermore, our architecture can produce magic states at 1.22x the baseline rate given a fixed number of transmon qubits. Here, this is a critical benchmark for future fault-tolerant quantum computers as magic states are essential and machines will spend the majority of their resources continuously producing them. This architecture substantially reduces the hardware requirements for fault-tolerant quantum computing and puts within reach a proof-of-concept experimental demonstration of around 10 logical qubits, requiring only 11 transmons and 9 attached cavities in total.

quantum computing↗

Correcting incompatible DN values and geometric errors in nighttime lights time series images

The Defense Meteorological Satellite Program’s Operational Linescan System (DMSP-OLS) nighttime lights imagery has proven to be a powerful remote sensing tool to monitor urbanization and assess socioeconomic activities at large scales. However, the existence of incompatible digital number (DN) values and geometric errors severely limit application of nighttime light image data on multi-year quantitative research. In this study we extend and improve previous studies on inter-calibrating nighttime lights image data to obtain more compatible and reliable nighttime lights time series (NLT) image data for China and the United States (US) through four steps: inter-calibration, geometric correction, steady increase adjustment, and population data correction. We then use gross domestic product (GDP) data to test the processed NLT image data indirectly and find that sum light (summed DN value of pixels in a nighttime light image) maintains apparent increase trends with relatively large GDP growth rates but does not increase or decrease with relatively small GDP growth rates. As nighttime light is a sensitive indicator for economic activity, the temporally consistent trends between sum light and GDP growth rate imply that brightness of nighttime lights on the ground is correctly represented by the processed NLT image data. Finally, through analyzing the corrected NLT image data from 1992 to 2008, we find that China experienced apparent nighttime lights development in 1992-1997 and 2001-2008 respectively and the US suffered from nighttime lights decay in large areas after 2001.

47 OTHER INSTRUMENTATION↗

SU-E-J-164: Estimation of DVH Variation for PTV Due to Interfraction Organ Motion in Prostate VMAT Using Gaussian Error Function

Purpose: We developed a method to predict the change of DVH for PTV due to interfraction organ motion in prostate VMAT without repeating the CT scan and treatment planning. The method is based on a pre-calculated patient database with DVH curves of PTV modelled by the Gaussian error function (GEF). Methods: For a group of 30 patients with different prostate sizes, their VMAT plans were recalculated by shifting their PTVs 1 cm with 10 increments in the anterior-posterior, left-right and superior-inferior directions. The DVH curve of PTV in each replan was then fitted by the GEF to determine parameters describing the shape of curve. Information of parameters, varying with the DVH change due to prostate motion for different prostate sizes, was analyzed and stored in a database of a program written by MATLAB. Results: To predict a new DVH for PTV due to prostate interfraction motion, prostate size and shift distance with direction were input to the program. Parameters modelling the DVH for PTV were determined based on the pre-calculated patient dataset. From the new parameters, DVH curves of PTVs with and without considering the prostate motion were plotted for comparison. The program was verified with different prostate cases involving interfraction prostate shifts and replans. Conclusion: Variation of DVH for PTV in prostate VMAT can be predicted using a pre-calculated patient database with DVH curve fitting. The computing time is fast because CT rescan and replan are not required. This quick DVH estimation can help radiation staff to determine if the changed PTV coverage due to prostate shift is tolerable in the treatment. However, it should be noted that the program can only consider prostate interfraction motions along three axes, and is restricted to prostate VMAT plan using the same plan script in the treatment planning system.

60 APPLIED LIFE SCIENCES↗