QED radiative corrections for accelerator neutrinos
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Two-stage formation-energy correction (NbZr, TaZr, VZr)
This bundle contains the scripts, the raw and corrected per-structure data, and the manuscript plots for the NbZr / TaZr / VZr BCC binary formation energies and the associated RMSDs. Why a two-stage correction is necessary: The "raw" formation energy of every relaxed VASP configuration is computed in the usual way, FE_raw(c) = E_alloy(c) - sum_i x_i * E_pure_i , where E_pure_i are the per-atom total energies of the pure-element reference structures (Nb, Ta, V, Zr in the same BCC supercell, with identical INCAR / KPOINTS / PAW choices). With perfectly consistent reference runs the raw FE should vanish at the two pure-element endpoints (x = 0 and x = 1) by construction. In practice this does not hold for two reasons that are present in our dataset: 1. Reference-energy inconsistency (composition-dependent bias). Even with identical input parameters, the pure-element runs (stored in `corrected_DFT_pure_element_runs/`) differ slightly from the values that would be implied by the alloy runs at near-pure compositions (a few meV/atom). This bias is approximately linear in concentration, because the residual error in E_pure_Nb (or E_pure_Ta / E_pure_V) propagates into FE_raw(c) as (1 - x) * dE_pure_1, and the corresponding error in E_pure_Zr propagates as x * dE_pure_2. Left uncorrected, this produces a non-physical "tilt" of FE_raw(x) and shifts the entire FE-vs-x cloud away from zero at the endpoints. 2. Endpoint anchoring against the audited true endpoints. The strict endpoint values (FE_x0_meVatom, FE_x1_meVatom in `corrected_fe_strict_endpoints_20260518/strict_endpoint_check_20260518.csv`) were re-derived from an independent cross-check of the pure-element runs. After stage 1 removes the linear bias, the near-pure compositions in the alloy dataset still extrapolate to values that differ slightly from these audited endpoints — because stage 1 is fit from a few near-end alloy bins, not from the audited pure-element references themselves. The README.txt file discusses how these issues are addressed by the two-stage correction, and describes folder layout, pipeline summary, and how to re-run.
36 MATERIALS SCIENCE↗
Adapting quantile mapping to bias correct solar radiation data
Not Available
Bailey, Maggie D. (ORCID:0000000347017849)↗
Corrective Action Decision Document/Closure Report for Corrective Action Unit 542: Disposal Holes, Nevada Test Site, Nevada, Revision 0, with ROTC 1-2
The purpose of this Corrective Action Decision Document/Closure Report is to provide justification and documentation supporting the recommendation for closure of CAU 542 with no further corrective action. To achieve this, corrective action investigation (CAI) activities were performed from July 19 through August 25, 2006, as set forth in the Corrective Action Investigation Plan for Corrective Action Unit 542: Disposal Holes. The purpose of the CAI was to fulfill the following data needs as defined during the data quality objective (DQO) process: Determine whether contaminants of concern (COCs) are present. If COCs are present, determine the nature and extent. Provide sufficient information and data to complete appropriate corrective actions.
54 ENVIRONMENTAL SCIENCES↗
SIMS Data Correction Procedure for Quasi‐Simultaneous Arrival ( QSA ) Under‐counting and Ramifications of Misapplication
Isotope geochemistry requires isotope ratios measured using secondary ion mass spectrometry (SIMS) to be made with optimal precision and accuracy. Under some analytical conditions when using electron multiplier detectors, secondary ions may be under‐counted because of quasi‐simultaneous arrival (QSA) at the first dynode. The relative magnitude of the associated QSA correction to raw measured isotopic ratios can be up to seventy permil or more. Therefore, not applying the correction, or misapplication of it could lead to significant inaccuracies in published isotope ratio data. Examples and ramifications of the latter are described in addition to a straightforward procedure for QSA under‐counting correction.
Geochemistry & Geophysics↗
Haxall-based (Axon) fault auto-correction package for building HVAC system (Haxall-based Fault Correction) v1.0
Haxall-based Fault Correction is a set of fault auto-correction algorithms implemented using the Axon language. These algorithms can automatically fix equipment and control problems as they arise and improve the operation of building Heating, Ventilation, and Air Conditioning (HVAC) systems. The coded auto-correction algorithms include mitigation of rogue zones, ASHRAE Guideline 36 static pressure and supply air reset, resolution of control hunting due to improper settings in a proportional-integral-derivative controller, correction of biased temperature sensors, etc. FDD tools with enhanced auto-correction capability can resolve control problems as they are detected, increasing energy savings and emissions reductions while freeing up operational staff expertise for the hardest facility problems.
Vitti, Raphael↗
Non-local corrections to the typical medium theory of Anderson localization
We use the recently developed finite cluster typical medium approach to study the Anderson localization transition in three dimensions. Applying our method to the box and binary alloy disorder distributions, we find a fast convergence with the cluster size. We demonstrate the importance of the typical medium environment and the non-local spatial correlations for the proper characterization of the localization transition. As the cluster size increases, our typical medium cluster method recovers the correct critical disorder strength for the transition. Our findings highlight the importance of the non-local cluster corrections for capturing the localization behavior of the mobility edge trajectories. Our results demonstrate that the typical medium cluster approach developed here provides a consistent and systematic description of the Anderson localization transition in the framework of the effective medium embedding schemes.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Method for automatic correction of offset drift in online sensors
Abstract Successful operation and optimization of water treatment systems hinge on the availability of high-quality online sensor measurements. Ideally, the available measurements should be simultaneously accurate (i.e., unbiased and precise), representative, voluminous, and timely. This remains a pain-point in current water infrastructures, forming a barrier to a wider adoption of advanced and autonomous control systems. While short-lived symptoms, such as outliers and spikes, can be detected or corrected with state-of-the-art tools for fault detection and identification, it is much more difficult to detect, diagnose, and correct the symptoms of slow faults, such as changes in offset or sensitivity due to drift. The time scale of drift is often longer than the time scales of the system dynamics of interest. Moreover, sensor drift has been shown to occur at the same time and with similar rates when sensors are exposed to the same conditions. This challenges data quality management strategies based on redundancy. In this contribution, we develop a new method, including both a hands-off sensor calibration mechanism and an information-seeking control architecture that can handle the unique challenge of simultaneous and similar drift in online sensors.
Chowdhury, Dhrubajit↗
Corrective Action Decision Document/Corrective Action Plan for Corrective Action Units 101 and 102: Central and Western Pahute Mesa Nevada National Security Site, Nevada (Rev. 1)
This corrective action decision document (CADD)/corrective action plan (CAP) has been prepared for the Central and Western Pahute Mesa (PM) Corrective Action Units (CAUs) 101 and 102. Corrective action is needed because underground radioactive contamination exists in these areas resulting from historic underground nuclear testing. The PM CAUs are located in the northwestern portion of the Nevada National Security Site and comprise 82 corrective action sites. A total of 85 underground nuclear detonations took place within the area covered by the PM CAUs between 1965 and 1992 and resulted in the release of radionuclides (RNs) in the subsurface in the vicinity of the test cavities.
54 ENVIRONMENTAL SCIENCES↗
Spin-crossover complexes: Self-interaction correction vs density correction
Complexes containing a transition metal atom with a 3d 4 –3d 7 electron configuration typically have two low-lying, high-spin (HS) and low-spin (LS) states. The adiabatic energy difference between these states, known as the spin-crossover energy, is small enough to pose a challenge even for electronic structure methods that are well known for their accuracy and reliability. In this work, we analyze the quality of electronic structure approximations for spin-crossover energies of iron complexes with four different ligands by comparing energies from self-consistent and post-self-consistent calculations for methods based on the random phase approximation and the Fermi–Löwdin self-interaction correction. Considering that Hartree–Fock densities were found by Song et al., J. Chem. Theory Comput. 14, 2304 (2018), to eliminate the density error to a large extent, and that the Hartree–Fock method and the Perdew–Zunger-type self-interaction correction share some physics, we compare the densities obtained with these methods to learn their resemblance. Here, we find that evaluating non-empirical exchange-correlation energy functionals on the corresponding self-interaction-corrected densities can mitigate the strong density errors and improves the accuracy of the adiabatic energy differences between HS and LS states.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Daejeon16 interaction with contact-term corrections for heavy nuclear systems
The Daejeon16 two-nucleon interaction is employed in many-body approaches based on the mean-field approximation. The perturbative character of Daejeon16 is verified by comparing results for 16 O from the Hartree–Fock (HF) approximation and from the no-core shell model and by examining the magnitude of perturbative corrections to the HF energy in light and heavy nuclei. Here, in order to approximately describe energies and radii across the nuclear chart, a phenomenological correction in the form of a two-plus-three-nucleon contact interaction is introduced. With fitted parameters we achieve a very good description of medium-mass nuclei in terms of energy and size and also in terms of the centroid energy of the giant monopole resonance and the dipole polarizability calculated within the random-phase approximation. Our results provide further justification for the use of Daejeon16 augmented with phenomenological corrections as an effective interaction of perturbative character in a variety of applications.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Continuous thermostat setpoint monitoring and correction (Thermostat setpoint correction) v1.0
The Continuous Thermostat Setpoint Monitoring and Correction software is a set of fault detection and correction algorithms that can be implemented in thermostats with two-way OpenAPIs. It is written in the Python language. The algorithms aim to detect the most common and impactful efficiency problems associated with thermostat setpoints - overly aggressive heating or cooling setpoints, incorrect schedules/setbacks, and overly narrow deadbands. These algorithms can automatically detect faults, and implement associated corrective actions to bring the system back to a state of efficient operation. The algorithms can run remotely in the cloud, and directly implemented by connected thermostat manufacturers, or by third party service providers. The software enables a lightweight cost-effective energy management strategy for HVAC systems. The solution is specially viable for small and medium sized commercial buildings, where a full scale building automation system and fault detection and diagnostic tools are often unavailable.
Granderson, Jessica↗
Update to the Phase II Corrective Action Investigation Plan for Corrective Action Units 101 and 102, Central and Western Pahute Mesa, Nevada National Security Site, Nye County, Nevada
This report is an update to the Phase II Corrective Action Investigation Plan for Corrective Action Units 101 and 102: Central and Western Pahute Mesa, Nevada Test Site, Nye County, Nevada (NNSA/NSO, 2009) activities resulting from data collection and analysis conducted between 2009 and 2019. This report contains two sections: (1) a summary of how the new data have informed the updated approach to complete the characterization activities under the corrective action investigation (CAI), and (2) a table documenting the specific activities identified in the CAIP with a status and expected outcome of each activity (see Table A-1 in Appendix A). As stated in Sections 1.5 and 1.5.1 of the CAIP, the CAIP was conceptualized to be iterative, with continuous review and assessment of the data, data analysis, and modeling to provide a guide for decisions regarding additional work. This report provides the revised plan, based on an assessment of the data, to complete the characterization activities identified in the CAIP.
54 ENVIRONMENTAL SCIENCES↗
Corrective Action Decision Document/Corrective Action Plan for Corrective Action Units 101 and 102: Central and Western Pahute Mesa Nevada National Security Site, Nevada, Revision 2
This revision was prepared to document changes to the data-collection activities. Specifically, the drilling and completion of the wells have been revised, and enhancements to the surface geophysics measurements have been included. Corrective action is needed because underground radioactive contamination exists in these areas resulting from historic underground nuclear testing. The PM CAUs are located in the northwestern portion of the Nevada National Security Site and comprise 82 corrective action sites. A total of 85 underground nuclear detonations took place within the area covered by the PM CAUs between 1965 and 1992 and resulted in the release of radionuclides in the subsurface in the vicinity of the test cavities.
54 ENVIRONMENTAL SCIENCES↗
Uncertainties in turbulent statistics and fluxes of CO2 associated with density effect corrections
Density effect corrections (DEC) are applied to adjust raw CO2 fluxes measured by eddy covariance (EC) systems with open-path gas analyzers. DEC is also required for adjusting the measured CO2 concentration fluctuations to obtain the adjusted CO2 for analyzing turbulent statistics or quantifying fluxes. However, our data show that the power spectra of the DEC-adjusted CO2 are distorted in the high frequency range, as compared with the corresponding spectra of temperature and water vapor density. This contradicts the similarity behavior of scalars, as suggested by Monin-Obukhov similarity theory. It is demonstrated that such a distortion is caused by the DEC-induced spikes in the DEC-adjusted CO2, altering turbulent statistics of CO2 and scalar similarity between CO2 and other scalars. Our results suggest that CO2 fluxes are overestimated by applying DEC especially under high Bowen ratio conditions, potentially leading to substantial uncertainties in long-term ecosystem carbon exchange in dry regions.
Gao, Zhongming↗
Finite-size correction for slab supercell calculations of materials with spontaneous polarization
Abstract The repeated slab approach has become a de facto standard to accurately describe surface properties of materials by density functional theory calculations with periodic boundary conditions. For materials exhibiting spontaneous polarization, we show that the conventional scheme of passivation with pseudo hydrogen is unable to realize a charge-neutral surface. The presence of a net surface charge induces via Gauss’s law a macroscopic electric field through the slab and results in poor size convergence with respect to the thickness of the slab. We propose a modified passivation method that accounts for the effect of spontaneous polarization, describes the correct bulk limits and boosts convergence with respect to slab thickness. The robustness, reliability, and superior convergence of energetics and electronic structure achieved by the proposed method are demonstrated using the example of polar ZnO surfaces.
Chemistry↗
Beam correction for multi-pass arcs in FFA@CEBAF: status update
This work examines the multi-pass steering of six electron beams in an FFA arc ranging from approximately 10.5 GeV to 22 GeV. Shown here is an algorithm based on singular value decomposition (SVD) to successfully steer all six beams through the arc given precise knowledge of all beam positions at each of one hundred and one diagnostic locations with one hundred individual corrector magnets: that is successive application of SVD to different 100 × 101 response matrices—one for each beam energy. Further, a machine learning scheme is developed which only requires knowledge of the energy-averaged beam position at each location to provide equivalent steering. Extension of this scheme to other beam optics quantities as well as transverse and longitudinal coupling is explored.
Accelerator Physics↗
Corrective Action Decision Document/Corrective Action Plan for Corrective Action Unit 577: Area 5 Chromium Containing Waste Disposal Cells, Nevada National Security Site, Nevada
This Corrective Action Decision Document/Corrective Action Plan (CADD/CAP) is for Corrective Action Unit (CAU) 577, “Area 5 Chromium Containing Waste Disposal Cells,” which is located in Area 5 of the Nevada National Security Site (NNSS). CAU 577 includes five low-level waste cells at the Area 5 Radioactive Waste Management Site (RWMS) where buried waste received from Nuclear Fuel Services, Inc. (NFS), was subsequently determined to contain chromium that exceeded the Toxicity Characteristic Leaching Procedure regulatory limit, which would require the waste to carry hazardous waste code D007. To resolve issues related to this alleged violation of hazardous waste regulations, a Settlement Agreement was executed between the Nevada Division of Environmental Protection (NDEP) and the U.S. Department of Energy, National Nuclear Security Administration Nevada Field Office on April 25, 2019, which identified agreed-upon mitigation measures. The Settlement Agreement required that the chromium-containing waste received from NFS would be addressed following the closure process laid out in the Federal Facility Agreement and Consent Order (FFACO).
54 ENVIRONMENTAL SCIENCES↗