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We present a coil system designed to generate a highly uniform magnetic field for the n2EDM experiment at the Paul Scherrer Institute. It consists of a main $B_0$ coil and a set of auxiliary coils mounted on a cubic structure with a side length of 273 cm, inside a large magnetically shielded room (MSR). We have assembled this system and characerized its performances with a mapping robot. The apparatus is able to generate a 1 $\mu$ T vertical field with a relative root mean square deviation $\sigma$ ($B_z$)/$B_z$ = 3 $\times$ $10^{-5}$ over the volume of interest, a cylinder of radius 40 cm and height 30 cm. This level of uniformity overcomes the n2EDM requirements, allowing a measurement of the neutron Electric Dipole Moment with a sensitivity better than 1 $\times$ $10^{-27}$ ecm., Comment: 20 pages, 13 figures

We present a novel Active Magnetic Shield (AMS), designed and implemented for the n2EDM experiment at the Paul Scherrer Institute. The experiment will perform a high-sensitivity search for the electric dipole moment of the neutron. Magnetic-field stability and control is of key importance for n2EDM. A large, cubic, 5m side length, magnetically shielded room (MSR) provides a passive, quasi-static shielding-factor of about 10^5 for its inner sensitive volume. The AMS consists of a system of eight complex, feedback-controlled compensation coils constructed on an irregular grid spanned on a volume of less than 1000m^3 around the MSR. The AMS is designed to provide a stable and uniform magnetic-field environment around the MSR, while being reasonably compact. The system can compensate static and variable magnetic fields up to +-50muT (homogeneous components) and +-5muT (first-order gradients), suppressing them to a few muT in the sub-Hertz frequency range. The presented design concept and implementation of the AMS fulfills the requirements of the n2EDM experiment and can be useful for other applications, where magnetically silent environments are important and spatial constraints inhibit simpler geometrical solutions.

Electro-optic silicon-based modulators contribute to ease the integration of high-speed and low-power consumption circuits for classical optical communications or quantum computers. However, the inversion symmetry in the silicon crystal structure inhibits the use of Pockels effect. An electric field-induced optical modulation equivalent to a Pockels effect can nevertheless be achieved in silicon by the use of DC Kerr effect. Although some theoretical and experimental studies have shown its existence in silicon, the DC Kerr effect in optical modulation have led to a negligible contribution so far. This paper reports demonstration of high-speed optical modulation based on the electric field-induced linear electro-optic effect in silicon PIN junction waveguides. The relative contributions of both plasma dispersion and Kerr effects are quantified and we show that the Kerr induced modulation is dominant when a high external DC electric field is applied. Finally, the high-speed modulation response is analyzed and eye diagram up to 100 Gbits/s in NRZ format are obtained. This work demonstrates high speed modulation based on Kerr effect in silicon, and its potential for low loss, quasi-pure phase modulation., Comment: 7+6 pages, 5+4 figures

Elastomeric materials when sliding on clean and rough surfaces generate wrinkles at the interface due to tangential stress gradients. These interfacial folds travel along the bottom of elastomer as surface detachment waves to facilitate the apparent sliding motion of elastomer. At very low sliding speed compared to elastic surface waves, the process is dominated by surface adhesion and relaxation effects, and the phenomenon is historically referred to as Schallamach waves. We report in this letter the observation of fast-traveling intersonic detachment waves exceeding the Rayleigh and shear wave velocities of the soft material in contact. The spatio-temporal analysis revealed the accelerating nature of the detachment wave, and the scaling of wave speed with the elastic modului of the material suggests that this process is governed by elasticity and inertia. Multiple wave signatures on the plot were connected to different stages of surface wrinkles, as they exhibited distinctive slopes (from which velocities were derived) in the generation, propagation and rebound phases. We also characterized the frequencies of wrinkle generation in addition to the speeds and found a consistent scaling law of these two wave characteristics as the stiffness of elastomer increased. Physical implications of this new finding may further promote our understanding of elastomer noise generation mechanisms, as at macroscopic sliding velocity, the frequency of elastomer instability readily enters human audible ranges and interacts with other vibratory frequencies to cooperatively create harsh and detrimental noises in disc braking, wiper blade and shoe squeaking among many other elastomer applications.

Experiments dedicated to the measurement of the electric dipole moment of the neutron require outstanding control of the magnetic field uniformity. The neutron electric dipole moment (nEDM) experiment at the Paul Scherrer Institute uses a 199Hg co-magnetometer to precisely monitor magnetic field variations. This co-magnetometer, in the presence of field non-uniformity, is responsible for the largest systematic effect of this measurement. To evaluate and correct that effect, offline measurements of the field non-uniformity were performed during mapping campaigns in 2013, 2014 and 2017. We present the results of these campaigns, and the improvement the correction of this effect brings to the neutron electric dipole moment measurement.

A rectangular thin elastic sheet is deformed by forcing a contact between two points at the middle of its length. A transition to buckling with stress focusing is reported for the sheets sufficiently narrow with a critical width proportional to the sheet length with an exponent 2/3 in the small thickness limit. Additionally, a spring network model is solved to explore the thick sheet limit and to validate the scaling behaviour of the transition in the thin sheet limit. The numerical results reveal that buckling does not exist for the thickest sheets and a stability criterion is established for the buckling of a curved sheet., Comment: 10 pages, 15 figures

Magnetic Johnson-Nyquist noise (JNN) originating from metal electrodes, used to create a static electric field in neutron electric-dipole-moment (nEDM) experiments, may limit the sensitivity of measurements. We present here the first dedicated study on JNN applied to a large-scale long-measurement-time experiment with the implementation of a co-magnetometry. In this study, we derive surface- and volume-averaged root-mean-square normal noise amplitudes at a certain frequency bandwidth for a cylindrical geometry. In addition, we model the source of noise as a finite number of current dipoles and demonstrate a method to simulate temporal and three-dimensional spatial dependencies of JNN. The calculations are applied to estimate the impact of JNN on measurements with the new apparatus, n2EDM, at the Paul Scherrer Institute. We demonstrate that the performances of the optically pumped $^{133}$Cs magnetometers and $^{199}$Hg co-magnetometers, which will be used in the apparatus, are not limited by JNN. Further, we find that in measurements deploying a co-magnetometer system, the impact of JNN is negligible for nEDM searches down to a sensitivity of $4\,\times\,10^{-28}\,e\cdot{\rm cm}$ in a single measurement; therefore, the use of economically and mechanically favored solid aluminum electrodes is possible.

We present the design of a next-generation experiment, n2EDM, currently under construction at the ultracold neutron source at the Paul Scherrer Institute (PSI) with the aim of carrying out a high-precision search for an electric dipole moment of the neutron. The project builds on experience gained with the previous apparatus operated at PSI until 2017, and is expected to deliver an order of magnitude better sensitivity with provision for further substantial improvements. An overview is given of the experimental method and setup, the sensitivity requirements for the apparatus are derived, and its technical design is described.

From soda cans to space rockets, thin-walled cylindrical shells are abundant, offering exceptional load carrying capacity at relatively low weight. However, the actual load at which any shell buckles and collapses is very sensitive to imperceptible defects and can not be predicted, which challenges the reliable design of such structures. Consequently, probabilistic descriptions in terms of empirical design rules are used and reliable design requires to be very conservative. We introduce a nonlinear description where finite-amplitude perturbations trigger buckling. Drawing from the analogy between imperfect shells which buckle and imperfect pipe flow which becomes turbulent, we experimentally show that lateral probing of cylindrical shells reveals their strength non-destructively. A new ridge-tracking method is applied to commercial cylinders with a hole showing that when the location where buckling is nucleated is known we can accurately predict the buckling load of each individual shell, within $\pm 5\%$. Our study provides a new promising framework to understand shell buckling, and more generally, imperfection-sensitive instabilities.

We present the result of an experiment to measure the electric dipole moment (EDM) of the neutron at the Paul Scherrer Institute using Ramsey's method of separated oscillating magnetic fields with ultracold neutrons (UCN). Our measurement stands in the long history of EDM experiments probing physics violating time reversal invariance. The salient features of this experiment were the use of a Hg-199 co-magnetometer and an array of optically pumped cesium vapor magnetometers to cancel and correct for magnetic field changes. The statistical analysis was performed on blinded datasets by two separate groups while the estimation of systematic effects profited from an unprecedented knowledge of the magnetic field. The measured value of the neutron EDM is $d_{\rm n} = (0.0\pm1.1_{\rm stat}\pm0.2_{\rm sys})\times10^{-26}e\,{\rm cm}$., Comment: 5 pages, 4 figures, submitted to PRL on 18.12.2019

Psychological bias towards, or away from, a prior measurement or a theory prediction is an intrinsic threat to any data analysis. While various methods can be used to avoid the bias, e.g. actively not looking at the result, only data blinding is a traceable and thus trustworthy method to circumvent the bias and to convince a public audience that there is not even an accidental psychological bias. Data blinding is nowadays a standard practice in particle physics, but it is particularly difficult for experiments searching for the neutron electric dipole moment, as several cross measurements, in particular of the magnetic field, create a self-consistent network into which it is hard to inject a fake signal. We present an algorithm that modifies the data without influencing the experiment. Results of an automated analysis of the data are used to change the recorded spin state of a few neutrons of each measurement cycle. The flexible algorithm is applied twice to the data, to provide different data to various analysis teams. This gives us the option to sequentially apply various blinding offsets for separate analysis steps with independent teams. The subtle modification of the data allows us to modify the algorithm and to produce a re-blinded data set without revealing the blinding secret. The method was designed for the 2015/2016 measurement campaign of the nEDM experiment at the Paul Scherrer Institute. However, it can be re-used with minor modification for the follow-up experiment n2EDM, and may be suitable for comparable efforts.

We report on a precise measurement of the electron-antineutrino angular correlation ($a$ coefficient) in free neutron beta-decay from the $a$SPECT experiment. The $a$ coefficient is inferred from the recoil energy spectrum of the protons which are detected in 4$\pi$ by the $a$SPECT spectrometer using magnetic adiabatic collimation with an electrostatic filter. Data are presented from a 100 days run at the Institut Laue Langevin in 2013. The sources of systematic errors are considered and included in the final result. We obtain $a = -0.10430(84)$ which is the most precise measurement of the neutron $a$ coefficient to date. From this, the ratio of axial-vector to vector coupling constants is derived giving $|\lambda| = 1.2677(28)$.

From April 2013 to the beginning of August 2013, the aSPECT spectrometer was installed on a cold neutron beam facility at the Institut Laue-Langevin (ILL) in order to realize a high-precision measurement of the electron-antineutrino angular correlation coefficient a. Among all the upgrades that were made during the past years, a new state-of-the-art acquisition system has been tested during this beam time. This internship report details the behavior of this new system., Comment: 43 pages

The ability to predict the nature and amounts of plutonium emissions in industrial accidents, such as in solvent fires at PUREX nuclear reprocessing facilities, is a key concern of nuclear safety agencies. In accident conditions and in the presence of oxygen and water vapor, plutonium is expected to form the three major volatile species $\rm{PuO_2}$, $\rm{PuO_3}$, and $\rm{PuO_2(OH)_2}$, for which the thermodynamic data necessary for predictions (enthalpies of formation and heat capacities) presently show either large uncertainties or are lacking. In this work we aim to alleviate such shortcomings by obtaining the aforementioned data via relativistic correlated electronic structure calculations employing a two-step multi-reference approach (MS-CASPT2 with SO-RASSI), which is able to describe the multireference character of the ground-state wave functions of $\rm{PuO_3}$ and $\rm{PuO_2(OH)_2}$. We benchmark this approach by comparing it to relativistic coupled cluster calculations for the ground, ionized, and excited states of $\rm{PuO_2}$. Our results allow us to predict enthalpies of formation $\Delta_fH^\ominus(\rm{298.15~K})$ of $\rm{PuO_2}$, $\rm{PuO_3}$ and $\rm{PuO_2(OH)_2}$ to be $\rm{-449.5\pm8.8}$, $\rm{-553.2\pm27.5}$, and $\rm{-1012.6\pm38.1~kJ\;mol^{-1}}$, respectively, which confirm the predominance of plutonium dioxide, but also reveal the existence of plutonium trioxide in the gaseous phase under oxidative conditions, though the partial pressures of $\rm{PuO_3}$ and $\rm{PuO_2(OH)_2}$ are nonetheless always rather low under a wet atmosphere. Our calculations also permit us to reassess prior results for $\rm{PuO_2}$, establishing that the ground state of the $\rm{PuO_2}$ molecule is mainly of $\rm{^{5}\Sigma_{g}^+}$ character, as well as to confirm the experimental value for the adiabatic ionization energy of $\rm{PuO_2}$., Comment: 17 pages, 5 figures, 9 tables and supplementary information

The PERC (Proton and Electron Radiation Channel) facility is currently under construction at the research reactor FRM II, Garching. It will serve as an intense and clean source of electrons and protons from neutron beta decay for precision studies. It aims to contribute to the determination of the Cabibbo-Kobayashi-Maskawa quark-mixing element $V_{ud}$ from neutron decay data and to search for new physics via new effective couplings. PERC's central component is a 12m long superconducting magnet system. It hosts an 8m long decay region in a uniform field. An additional high-field region selects the phase space of electrons and protons which can reach the detectors and largely improves systematic uncertainties. We discuss the design of the magnet system and the resulting properties of the magnetic field., Comment: Proceedings of the International Workshop on Particle Physics at Neutron Sources PPNS 2018, Grenoble, France, May 24-26, 2018

Magnetic field uniformity is of the utmost importance in experiments to measure the electric dipole moment of the neutron. A general parametrization of the magnetic field in terms of harmonic polynomial modes is proposed, going beyond the linear-gradients approximation. We review the main undesirable effects of non-uniformities: depolarization of ultracold neutrons, and Larmor frequency shifts of neutrons and mercury atoms. The theoretical predictions for these effects were verified by dedicated measurements with the single-chamber nEDM apparatus installed at the Paul Scherrer Institute.

We report on the strategy used to optimize the sensitivity of our search for a neutron electric dipole moment at the Paul Scherrer Institute. Measurements were made upon ultracold neutrons stored within a single chamber at the heart of our apparatus. A mercury cohabiting magnetometer together with an array of cesium magnetometers were used to monitor the magnetic field, which was controlled and shaped by a series of precision field coils. In addition to details of the setup itself, we describe the chosen path to realize an appropriate balance between achieving the highest statistical sensitivity alongside the necessary control on systematic effects. The resulting irreducible sensitivity is better than 1*10-26 ecm. This contribution summarizes in a single coherent picture the results of the most recent publications of the collaboration., Comment: Submitted as a web of conference proceedings paper for PPNS2018

We present the new spectrometer for the neutron electric dipole moment (nEDM) search at the Paul Scherrer Institute (PSI), called n2EDM. The setup is at room temperature in vacuum using ultracold neutrons. n2EDM features a large UCN double storage chamber design with neutron transport adapted to the PSI UCN source. The design builds on experience gained from the previous apparatus operated at PSI until 2017. An order of magnitude increase in sensitivity is calculated for the new baseline setup based on scalable results from the previous apparatus, and the UCN source performance achieved in 2016., Comment: Submitted as a web of conference proceedings paper

The neutron and its hypothetical mirror counterpart, a sterile state degenerate in mass, could spontaneously mix in a process much faster than the neutron $\beta$-decay. Two groups have performed a series of experiments in search of neutron - mirror-neutron ($n-n'$) oscillations. They reported no evidence, thereby setting stringent limits on the oscillation time $\tau_{nn'}$. Later, these data sets have been further analyzed by Berezhiani et al.(2009-2017), and signals, compatible with $n-n'$ oscillations in the presence of mirror magnetic fields, have been reported. The Neutron Electric Dipole Moment Collaboration based at the Paul Scherrer Institute performed a new series of experiments to further test these signals. In this paper, we describe and motivate our choice of run configurations with an optimal filling time of $29~$s, storage times of $180~$s and $380~$s, and applied magnetic fields of $10~\mu$T and $20~\mu$T. The choice of these run configurations ensures a reliable overlap in settings with the previous efforts and also improves the sensitivity to test the signals. We also elaborate on the technique of normalizing the neutron counts, making such a counting experiment at the ultra-cold neutron source at the Paul Scherrer Institute possible. Furthermore, the magnetic field characterization to meet the requirements of this $n-n'$ oscillation search is demonstrated. Finally, we show that this effort has a statistical sensitivity comparable to the current leading constraints for $n-n'$ oscillations., Comment: Proceedings of International Workshop on Particle Physics at Neutron Sources, PPNS-2018; May 24-26, 2018, LPSC, Grenoble, France; Abs. ID: 28 and 60. 10 Pages, 9 Figures

Tributyl-phosphate (TBP), a ligand used in the PUREX liquid-liquid separation process of spent nuclear fuel, can form explosive mixture in contact with nitric acid, that might lead to violent explosive thermal runaway. In the context of safety of a nuclear reprocessing plant facility, it is crucial to predict the stability of TBP at elevated temperatures. So far, only the enthalpies of formation of TBP is available in the literature with a rather large uncertainties, while those of its degradation products, di-(HDBP) and mono-(H$_2$MBP}) are unknown. In this goal, we have used state-of-the art quantum chemical methods to compute the formation enthalpies and entropies of TBP and its degradation products di-(HDBP), mono-(H$_2$MBP) in gas and liquid phases. Comparisons of levels of quantum chemical theory revealed that there are significant effects of correlation on their electronic structures, pushing for the need of not only high level of electronic correlation treatment, namely local coupled cluster with single and double excitation operators and perturbative treatment of triple excitations [LCCSD(T)], but also extrapolations to the complete basis to produce reliable and accurate thermodynamics data. Solvation enthalpies were computed with the conductor like screening model for real solvents [COSMO-RS], for which we observe errors not exceeding 22 kJ mol$^{-1}$. We thus propose with final uncertainty of about 20 kJ mol$^{-1}$ standard enthalpies of formation of TBP, HDBP, and H$_2$MBP which amounts to -1281.7$\pm$24.4, -1229.4$\pm$19.6 and -1176.7$\pm$14.8 kJ mol$^{-1}$, respectively, in the gas phase. In the liquid phase, the predicted values are -1367.3$\pm$24.4, -1348.7$\pm$19.6 and -1323.8$\pm$14.8 kJ mol$^{-1}$, to which we may add about -22 kJ mol$^{-1}$ error from the COSMO-RS solvent model. From these data, we predict the complete hydrolysis of TBP to be nearly thermoneutral.

Using density functional electronic structure calculations, we establish the consequences of surface termination and modification on protected surface-states of metacinnabar (beta-HgS). Whereas we find that the Dirac cone is isotropic and well-separated from the valence band for the (110) surface, it is highly anisotropic at the pure (001) surface. We demonstrate that the anisotropy is modified by surface passivation because the topological surface-states include contributions from dangling bonds. Such dangling bonds exist on all pure surfaces within the whole class HgX with X = S, Se, or Te and directly affect the properties of the Dirac cone. Surface modifications also alter the spatial location (depth and decay length) of the topologically protected edge-states which renders them essential for the interpretation of photoemission data., Comment: 5 pages, 4 figures

For uniaxial easy axis films, properties of magnetic domains are usually described within the Kittel model, which assumes that domain walls are much thinner than the domains. In this work we present a simple model that includes a proper description of the magnetostatic energy of domains and domain walls and also takes into account the interaction between both surfaces of the film. Our model describes the behavior of domain and wall widths as a function of film thickness, and is especially well suited for the strong stripe phase. We prove the existence of a critical value of magneto-crystalline anisotropy above which stripe domains exist for any film thickness and justify our model by comparison with exact results. The model is in good agreement with experimental data for hcp cobalt., Comment: 15 pages, 7 figures

We establish the presence of topologically protected edge states on the (001) surface of HgS in the zinc-blende structure using density-functional electronic structure calculations. The Dirac point of the edge state cone is very close to the bulk valence band maximum. The Dirac cone is extremely anisotropic with a very large electron velocity along one diagonal of the surface elementary cell x' and a nearly flat dispersion in the perpendicular direction y'. The strong anisotropy originates from a broken fourfold rotoinversion symmetry at the surface., Comment: Phys. Rev. Lett., in press

We present an ab-initio and analytical study of the Jahn-Teller effect in two diluted magnetic semiconductors (DMS) with d4 impurities, namely Mn-doped GaN and Cr-doped ZnS. We show that only the combined treatment of Jahn-Teller distortion and strong electron correlation in the 3d shell may lead to the correct insulating electronic structure. Using the LSDA+U approach we obtain the Jahn-Teller energy gain in reasonable agreement with the available experimental data. The ab-initio results are completed by a more phenomenological ligand field theory., Comment: 15 pages, 5 figures

We have calculated the chemical trend of magnetic exchange parameters ($J_{dd}$, $N \alpha$, and $N \beta$) of Zn-based II-VI semiconductors ZnA (A=O, S, Se, and Te) doped with Co or Mn. We show that a proper treatment of electron correlations by the LSDA+$U$ method leads to good agreement between experimental and theoretical values of the nearest-neighbor exchange coupling $J_{dd}$ between localized 3$d$ spins in contrast to the LSDA method. The exchange couplings between localized spins and doped electrons in the conduction band $N \alpha$ are in good agreement with experiment as well. But the values for $N \beta$ (coupling to doped holes in the valence band) indicate a cross-over from weak coupling (for A=Te and Se) to strong coupling (for A=O) and a localized hole state in ZnO:Mn. That hole localization explains the apparent discrepancy between photoemission and magneto-optical data for ZnO:Mn., Comment: 19 pages, 4 figures