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DOE OSTI2020

Piezoelectric Electron-Phonon Interaction from Ab Initio Dynamical Quadrupoles: Impact on Charge Transport in Wurtzite GaN

First-principles calculations of $\textit{e}$-ph interactions are becoming a pillar of electronic structure theory. However, the current approach is incomplete. The piezoelectric (PE) $\textit{e}$-ph interaction, a long-range scattering mechanism due to acoustic phonons in noncentrosymmetric polar materials, is not accurately described at present. Current calculations include short-range $\textit{e}$-ph interactions (obtained by interpolation) and the dipolelike Frölich long-range coupling in polar materials, but lack important quadrupole effects for acoustic modes and PE materials. Here we derive and compute the long-range $\textit{e}$-ph interaction due to dynamical quadrupoles, and apply this framework to investigate $\textit{e}$-ph interactions and the carrier mobility in the PE material wurtzite GaN. In this work, we show that the quadrupole contribution is essential to obtain accurate $\textit{e}$-ph matrix elements for acoustic modes and to compute PE scattering. Our work resolves the outstanding problem of correctly computing $\textit{e}$-ph interactions for acoustic modes from first principles, and enables studies of $\textit{e}$-ph coupling and charge transport in PE materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Test Results of the First Two Full-Length Quadrupole Magnets for the LHC Hi Lumi Upgrade

The future high luminosity (Hi-Lumi) upgrade of the Large Hadron Collider (LHC) at CERN will include eight (plus two spares) 8.4 m-long cryostatted cold masses which will be components of the triplets for two LHC insertion regions. Each cold mass will consist of two 4.2 m long Nb 3 Sn high gradient quadrupole magnets, designated MQXFA, with aperture 150 mm and operating gradient 132.6 T/m, for a total of twenty magnets. Before assembling and testing the final cold masses at Fermilab, the twenty component quadrupoles will be tested first at the ver-tical superconducting magnet test facility of the Superconducting Magnet Division at Brookhaven National Laboratory (BNL), in superfluid He at 1.9 K and to 18.0 kA, to meet LHC operational requirements. The first two full-length prototype quadrupole magnets, MQXFAP1 and MQXFAP2, have been tested at BNL. This paper reports on the quench test and training results of these magnets, and also the retest of the first prototype, rebuilt and designated as MQXFAP1b. We note the test results of these magnets will be important for validating the MQXFA design.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Test Results of the First Pre-Series Quadrupole Magnets for the LHC Hi-Lumi Upgrade

The future high luminosity (Hi-Lumi) upgrade of the Large Hadron Collider (LHC) at CERN will include eight (plus two spares) 10.2 m-long Cryo-assemblies which will be components of the triplets for two LHC insertion regions. Each cold mass in the Cryo-assemblies will consist of two 4.2 m-long Nb 3 Sn high gradient quadrupole magnets, designated MQXFA, with aperture 150 mm and operating gradient 132.2 T/m, for a total of twenty magnets. Before assembling and testing the final cold masses at Fermilab, the component quadrupoles are being tested first at the vertical superconducting magnet test facility of the Superconducting Magnet Division (SMD) at Brookhaven National Laboratory (BNL), in superfluid He at 1.9 K and up to 18.0 kA, in accordance with operational requirements of the LHC. The tests of the first two full-length prototype quadrupole magnets MQXFAP1 and MQXFAP2 at BNL have been reported previously. The first two pre-series magnets, the first two that will be used in the LHC, have also now been tested. This paper reports on the quench test and training results of these two magnets. The test results of these magnets will be important for validating the final MQXFA design for operational magnets.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

Effect of CLIQ on Training of HL-LHC Quadrupole Magnets

The high-luminosity LHC upgrade requires stronger than LHC low-beta quadrupole magnets to reach the luminosity goals of the project. The project is well advanced and HL-LHC quadrupole magnets are currently being commissioned in US Labs (MQXFA magnets) and CERN (MQXFB magnets). Those are the first Nb 3 Sn magnets to be used in any large particle accelerator. At development stages, many Nb 3 Sn accelerator sub-scale models showed relatively slow training and MQXFA magnets were projected to have low tens of quenches before reaching operational field. Recently it was shown that dedicated capacitor-based de-vices can affect Nb 3 Sn magnet training, and it was suggested that CLIQ, a capacitor-based device intended for quench protection, can do too. Here, the present paper investigates effects on training likely induced by CLIQ, using the base fact that only half the coils in a quadrupole experience upward current modulation at quench because of capacitor discharge. The study encompasses all MQXFA production magnets trained at BNL to date. No other high-statistics data from identical magnets (series) with CLIQ protection exist so far. Implications and opportunities stemming from data analysis are discussed and conclusions drawn.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Benchmarking the Use of BPM Quadrupole Moments to Measure Emittance

For the PIP-II program, transverse emittance in the Fermilab Booster must remain well controlled at higher bunch intensities. 4-plate beam position monitors (BPMs) have a small but measurable quadrupole moment, making it possible to infer transverse emittance. By compositing many BPMs together, it becomes possible to improve the quality of the quadrupole signal. The Fermilab Booster BPM system has been used to measure these quadrupole moments in the past year and derive emittances from them. Recent benchmarks show that the derived BPM emittances show similar emittance evolution and value to IPM and Multiwire data. This approach can both supplement and complement existing non-intercepting emittance monitors in accelerators.

Balcewicz, M. A. [Fermilab]↗

DOE OSTI2021

Tunable Permanent Magnet Quadrupole Operating at Cryogenic Temperatures for Accelerators

The project objective is to develop a compact and tunable quadrupole using Electron Energy Corporation (EEC)’s PM materials for cryogenic accelerator applications. To achieve this objective, EEC and SLAC National Accelerator Laboratory (SLAC) will collaborate to develop a cost-effective quadrupole and optimize the conventional manufacturing process. Based on previous experience, EEC designed an innovative field adjustment capability using tuning magnets which is able to achieve all the requirements for SLAC’s cold copper collider (C3 ) application. These novel ideas enable us to develop a compact and tunable quadrupole magnet superior to the current designs. Our approach is to leverage EEC's over 50 years of experience in magnet manufacturing and SLAC’s beamline test capabilities.

42 ENGINEERING↗

DOE OSTI2022

Systematic Errors Induced by Dipole Component Change in Quadrupole Beam-Based Alignment Measurements for Circular Accelerators

Beam-based alignment (BBA) for quadrupole magnets is now a well-established process for circular accelerators to steer beam orbit through the magnetic centers such that beam orbit is not disturbed when the gradients of quadrupoles are changed. At some facilities, the centers estimated from BBA techniques are also used as a proxy for steering beam through the centers of nearby nonlinear magnets to minimize degradation of nonlinear dynamics caused by off-centered orbit. The random errors associated with BBA are well known, but very little attention has been paid to the systematic error generated by a dipole component change, or equivalently a shift in the magnetic center, when the quadrupole strength is varied. The analytical formulas for this error and its amplification factor (potentially a few orders of magnitude) with respect to the magnetic center motion have been derived and confirmed with simulations. We address the significance of this error as well as the part that cannot be estimated from the beam-based measurement alone. Finally, the BBA measurements obtained at NSLS-II and their systematic errors on the order of hundreds of microns are discussed.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Benchmarking the Use of BPM Quadrupole Moments to Measure Emittance

Balcewicz, Michael A. [Fermilab] (ORCID:0009000557↗

DOE OSTI2022

Performance of a MQXF Nb 3 Sn Quadrupole Magnet Under Different Stress Level

In a dipole or in a quadrupole accelerator magnet, the displacement of the coil turns induced by the electromagnetic forces can cause quenches limiting the magnet performance. For this reason, an azimuthal preload is applied to avoid azimuthal movements of the coil up to the required operational current. However, several tests showed that accelerator magnets can operate with a partial preload, i.e. that coil unloading during the ramp does not prevent reaching higher currents. This issue is particularly relevant for Nb 3 Sn magnets, where the loads applied to the Nb3Sn filaments can reach the degradation limits of critical current. In order to investigate the impact of coil preload on the quench performance, the MQXFS6 short model quadrupole for the High Luminosity Upgrade was tested under an azimuthal preload at 80% of the short sample current, reaching 93% of short sample current at 1.9 K. The preload was then released to 60%, still showing ability to operate in the range of 80-85% of short sample current as required by HL-LHC project. With this lower preload, the ability of going above 90% of short sample was lost, and a significant training appeared above 85%. When the preload was restored to the original 80% value, the magnet reached with few quenches 95% of short sample (13.4 T peak field). Magnetic measurements confirm the larger movement of the coil in the case with lower preload, and agree with finite element simulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Determination of phosphorus and sulfur in uranium ore concentrates by triple quadrupole inductively coupled plasma mass spectrometry

The analysis of impurities in a uranium ore concentrate (UOC) could provide information regarding the source, production history, and potential intended use of the UOC. This study involves the analysis of UOC samples for phosphorus and sulfur. Here, concentrations were determined by triple quadrupole inductively coupled plasma – mass spectrometry and compared with results from a pyrohydrolysis method as well as previously reported results. The sulfur and phosphorus concentrations, determined by the mass spectrometer, were used to explore possible trends in a series of UOC material, and the uncertainties were calculated using GUM workbench software. The triple quadrupole inductively coupled plasma – mass spectrometer method allows for the removal of interferences in the analysis of species.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2024

Nuclear Quadrupole Resonance for Substance Detection

This review paper provides a comprehensive overview of recent advances in nuclear quadrupole resonance (NQR) spectroscopy for substance detection, highlighting its principles, methodologies, and applications. The paper elucidates the fundamental physics underlying NQR spectroscopy, emphasizing the interaction between nuclear quadrupole moments and electric field gradients. It explores the various experimental techniques and instrumentation developments that have enabled the sensitive detection and precise characterization of substances containing quadrupolar nuclei. A significant portion of the survey is dedicated to discussing the diverse applications of NQR spectroscopy, including the detection of explosives, drug pharmaceuticals, and material authentication. Furthermore, the survey examines the challenges and limitations associated with NQR spectroscopy, including issues related to signal-to-noise ratio (SNR), temperature dependency, and substance restrictions. Strategies to overcome these challenges are discussed, offering insights into the future directions of NQR spectroscopy research that includes artificial intelligence (AI), internet of things (IoT) integration, incorporating a cloud database for NQR parameter storage, and multi-modal analysis.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

Optimization of an Interaction Region Quadrupole Magnet for a Future Electron-Ion Collider at JLab

The Jefferson Lab Electron Ion Collider (JLEIC) is a proposed new machine for nuclear physics research. It uses the existing CEBAF accelerator as a full energy injector to deliver 3 to 11 GeV electrons into a new electron collider ring. An all new ion accelerator and collider complex will deliver up to 200 GeV protons. The machine has luminosity goals of 10 34 cm -2 sec -1 . The whole detector region including forward detection covers about 80 meters of the JLEIC complex. The lattice file for the machine has changed to accommodate the higher energy; this change requires all the magnets in the interaction region to change. This paper will describe the requirements for both the ion and electron beam superconducting magnets around the interaction point. All the Final Focusing Quadrupole (FFQ) magnets now have preliminary designs. This paper will describe the optimization process for one of these FFQs. The optimization is performed using the optimization module of SIMULIA Opera FEA and compared with ROXIE. An analytical design tool has also been developed to estimate the peak field in the coils. The quadrupole has been optimized for peak field in the coils, and magnetic length.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Assembly and Pre-Loading Specifications for the Series Production of the Nb 3 Sn MQXFA Quadrupole Magnets for the HL-LHC

We report the High Luminosity LHC (HL-LHC) Project is planning to install 16 cold-masses made with Nb 3 Sn quadrupole magnets in the LHC Interaction Regions to significantly increase its luminosity. Half of these cold masses are fabricated at BNL, FNAL, and LBNL under the US Accelerator Research Program (AUP). Each cold mass includes two identical Nb 3 Sn quadrupole magnets, called MQXFA with a magnetic length of 4.2 m. Currently, the AUP project has completed the fabrication and test of the first 5 pre-series magnets, and is working on the following 16 magnets for the series production. The brittleness and strain sensitivity of the Nb 3 Sn superconducting material requires a careful definition of the allowable maximum stress in the windings during magnet assembly and pre-load, and a tight control of their variation within the whole coil length. Therefore, a series of assembly and pre-load specifications have been defined with the goals of minimizing the risk of conductor degradation and providing the mechanical support required to reach the nominal current during powering. In this paper we present the specifications defined for the MQXFA magnets and applied during the different assembly phases and during the pre-load process of the first 5 pre-series magnets.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

The spectroscopic quadrupole moment of the 2 1 + state of 12 C: A benchmark of theoretical models

The spectroscopic quadrupole moment of the first 2 + state of 12 C has been measured employing the Coulomb-excitation re-orientation technique. Our result of $Q_{s} (2^{+}_{1}) = +9.3^{+3.5}_{-3.8}$ efm 2 suggests a larger oblate deformation than previously reported. Combining this with the consistently re-analyzed adopted value, we present the most precise value to date of $Q_{s} (2^{+}_{1})$ = +9.5(18) efm 2 , which is consistent with a geometrical rotor description. This simple outcome is compared to state-of-the-art shell-model, mean-field, ab initio calculations, cluster-based and geometrical-like theories, which show varying degrees of emergent quadrupole collectivity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Suppressed electric quadrupole collectivity in 49 Ti

Single-step Coulomb excitation of 46,48,49,50 Ti is presented. A complete set of E2 matrix elements for the quintuplet of states in 49 Ti, centred on the core excitation, was measured for the first time. A total of nine E2 matrix elements are reported, four of which were previously unknown. $^{49}_{22}$Ti 27 shows a 20% quenching in electric quadrupole transition strength as compared to its semi-magic $^{50}_{22}$Ti 28 neighbour. This 20% quenching, while empirically unprecedented, can be explained with a remarkably simple two-state mixing model, which is also consistent with other ground-state properties such as the magnetic dipole moment and electric quadrupole moment. A connection to nucleon transfer data and the quenching of single-particle strength is also demonstrated. The simplicity of the 49 Ti- 50 Ti pair (i.e., approximate single-j 0 7/2 valence space and isolation of yrast states from non-yrast states) provides a unique opportunity to disentangle otherwise competing effects in the ground-state properties of atomic nuclei, the emergence of collectivity, and the role of proton-neutron interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Observation of a Symmetry-Forbidden Excited Quadrupole-Bound State

In this paper, we report the observation of a symmetry-forbidden excited quadrupole-bound state (QBS) in the tetracyanobenzene anion (TCNB - ) using both photoelectron and photodetachment spectroscopies of cryogenically-cooled anions. The electron affinity of TCNB is accurately measured as 2.4695 eV. Photodetachment spectroscopy of TCNB - reveals selected symmetry-allowed vibronic transitions to the QBS, but the ground vibrational state was not observed because the transition from the ground state of TCNB - (A u symmetry) to the QBS (Ag symmetry) is triply-forbidden by the electric and magnetic dipoles, and the electric quadrupole. The binding energy of the QBS is found to be 0.2206 eV, which is unusually large due to strong correlation and polarization effects. A centrifugal barrier is observed for near-threshold autodetachment, as well as relaxations from the QBS vibronic levels to the ground and a valence excited state of TCNB - . The current study shows a rare example where symmetry selection rules, rather than the Franck-Condon principle, govern vibronic transitions to a non-valence state in an anion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Quadrupole and multi-collector ICP-MS analysis of 226 Ra in brain from a radium dial painter

We report two ICP-MS methods were developed to measure the radiotoxic isotope 226 Ra in brain tissues from a radium dial painter worker. The first method was a direct analysis of acid digested samples using quadrupole ICP-MS. The instrumental LOD of 226 Ra was 0.1 ng kg -1 . Polyatomic interferences at m/z 226 were investigated and Pb was identified from a polyatomic interferent in an in-house sample prepared from bovine brain, with a 226/208 formation ratio of 4 × 10 -8 . The quadrupole ICP-MS method was also used to measure levels of beryllium, strontium, and uranium. A second method was developed that included cation-exchange chromatography to separate 226 Ra followed by analysis with sector field MC-ICP-MS. The instrumental LOD for the cation exchange method with MC-ICP-MS detection was 0.5 pg kg -1 (19 mBq kg -1 ). The measured concentrations of 226 Ra in different brain regions ranged from 0.09–0.72 ng kg -1 (3.3–27 Bq kg -1 ) and radium was non-uniformly distributed in the brain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Robust ab initio predictions for dimensionless ratios of 𝐸⁢2 and radius observables. I. Electric quadrupole moments and deformation

We report that converged results for 𝐸⁢2 observables are notoriously challenging to obtain in ab initio no-core configuration interaction approaches. Matrix elements of the 𝐸⁢2 operator are sensitive to the large-distance tails of the nuclear wave function, which converge slowly in an oscillator basis expansion. Similar convergence challenges beset ab initio prediction of the nuclear charge radius. However, we exploit systematic correlations between the calculated 𝐸⁢2 and radius observables to yield meaningful predictions for relations among these observables. In particular, we examine ab initio predictions for dimensionless ratios of the form 𝑄/𝑟 2 for nuclei throughout the 𝑝 shell. Meaningful predictions for electric quadrupole moments may then be made by calibrating to the ground-state charge radius, if experimentally known, or vice versa. Moreover, these dimensionless ratios provide ab initio insight into the nuclear quadrupole deformation.

ab initio calculations↗