Peak effect due to competing vortex ground states in superconductors with large inclusions
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Willa, Roland↗
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An optimization‐based phase‐field method for continuous‐discontinuous crack propagation
Summary A new continuous‐discontinuous strategy for the computational modeling of crack propagation within the context of phase‐field models of fracture is presented. The method is designed to introduce and update a sharp crack surface within an evolving damage band and to enhance the kinematics of the finite element approximation accordingly. The proposed approach relies on three key elements. First, we propose the use of a crack length functional to provide a trigger for initiating a continuous to discontinuous transition. Next, the crack path identification is addressed by introducing the concept of an auxiliary damage field that varies with an extension of the sharp crack surface. The sharp crack surface is extended through an optimization algorithm, in which the difference between the auxiliary field and the actual damage field stemming from the phase‐field framework is minimized. Finally, a strong discontinuity is inserted in the wake of the diffuse crack tip with the extended finite element method, completing the continuous to discontinuous transition. Several benchmark problems in two‐dimensional quasi‐static fracture mechanics are presented to demonstrate the accuracy and robustness of the method.
Geelen, Rudy J. M.↗
Magnetic study of M-type Ru–Ti doped strontium hexaferrite nanocrystalline particles
We carried out a systematic study on the effect of the substitution of Ti2+ and Ru4+ ions for Fe3+ ions on the structural and magnetic properties of the strontium ferrite SrFe12-2xRuxTixO19 nanoparticles with (0 <= x <= 0: 3), using x-ray diffraction, Quantum Design PPMS-9 magnetometry, and electrical resistivity. A clear irreversibility between the zero-field-cooled and field-cooled curves was observed below room temperature and the zero-field-cooled magnetization curves displayed a broad peak at a temperature TM. These results were discussed within the framework of random particle assembly model and associated with the magnetic domain wall motion. The resistivity data showed some kind of a transition from insulator to perfect insulator around TM. The high-temperature magnetization measurements exhibited sharp peaks just below T-c indicating a superparamagnetic behavior. With Ru-Ti substitution, the saturation magnetization at 5 K showed small variations were it slightly increased with increasing x up to 0.2, and then decrease for x = 0.3, while the coercivity decreased monotonically, recording a reduction of about 78% at x = 0.3. These results were discussed in light of the cationic distributions based on the results of the structural refinements.
Alsmadi, A. M.↗
TL and PL studies on cubic fluoroperovskite single crystal (KMgF{sub 3}: Eu{sup 2+}, Ce{sup 3+})
The perovskite-like KMgF{sub 3} polycrystalline compounds were synthesized by standard solid state reaction technique. Phase purity of the synthesized compounds was analyzed by powder X-ray diffraction technique. Single crystals of (0.2 mol% of EuF{sub 3} and CeF{sub 3}) Co-doped KMgF{sub 3} have been grown from melt by using a vertical Bridgman-Stockbarger method. Thermoluminescence (TL) characteristics of KMgF{sub 3} samples doped with Eu{sub 2+} and Ce{sub 3+} have been studied after β-ray irradiation. At ambient conditions the photoluminescence spectra consisted of sharp line peaked of Eu{sub 2+} at 360 nm attributed to the f → f transition ({sup 6}P{sub 7/2}→{sup 8}S{sub 7/2}) could only be observed due to the energy transfer from Ce{sub 3+} to Eu{sub 2+}.
36 MATERIALS SCIENCE↗
Aging effect in magnetotransport property of oxygen adsorbed BaFe{sub 2}As{sub 2}
Presence of oxygen (O{sub 2}) has been found by Energy Dispersive X-ray Analysis (EDAX) on the surfaces of flux grown BaFe{sub 2}As{sub 2} single crystals which were kept in air ambience for several months. Transport studies show that the O{sub 2} adsorbed crystals are more resistive and do not display any sharp slope change near 140 K which is the well known Spin Density Wave (SDW) transition temperature (T{sub SDW}) accompanying structural transition for as grown BaFe{sub 2}As{sub 2}. An anomalous slope change in resistivity is observed around 18 K at 0 and 5T. Magnetoresistance (MR) is noticed to increase as a function of applied field (H) quite differently than that for as grown crystals below T{sub SDW} which may be attributed to aging effect.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
On the non-existence of a sharp cooling break in gamma-ray burst afterglow spectra
Although the widely used analytical afterglow model of gamma-ray bursts (GRBs) predicts a sharp cooling break ν {sub c} in its afterglow spectrum, the GRB observations so far rarely show clear evidence for a cooling break in their spectra or a corresponding temporal break in their light curves. Employing a Lagrangian description of the blast wave, we conduct a sophisticated calculation of the afterglow emission. We precisely follow the cooling history of non-thermal electrons accelerated into each Lagrangian shell. We show that a detailed calculation of afterglow spectra does not in fact give rise to a sharp cooling break at ν {sub c}. Instead, it displays a very mild and smooth transition, which occurs gradually over a few orders of magnitude in energy or frequency. The main source of this slow transition is that different mini shells have different evolutionary histories of the comoving magnetic field strength B, so that deriving the current value of ν {sub c} of each mini shell requires an integration of its cooling rate over the time elapsed since its creation. We present the time evolution of optical and X-ray spectral indices to demonstrate the slow transition of spectral regimes and discuss the implications of our result in interpreting GRB afterglow data.
79 ASTRONOMY AND ASTROPHYSICS↗
High-resolution photoluminescence spectroscopy of Sn-doped ZnO single crystals
Here, Group IV donors in ZnO are poorly understood, despite evidence that they are effective n-dopants. We present high-resolution photoluminescence spectroscopy studies of unintentionally doped and Sn doped ZnO single crystals grown by the chemical vapor transport method. Doped samples showed greatly increased emission from the I10 bound exciton transition which was recently proven to be related to the incorporation of Sn impurities based on radio-isotope studies. PL linewidths are exceptionally sharp for these samples, enabling clear identification of several donor species. Temperature dependent PL measurements of the I10 line emission energy and intensity dependence reveal a behavior similar to other shallow donors in ZnO. Ionized donor bound exciton and two electron satellite transitions of the I10 transition are unambiguously identified and yield a donor binding energy of 71 meV. In contrast to recent reports of Ge-related donors in ZnO, the spectroscopic binding energy for the Sn-related donor bound exciton follows a linear relationship with donor binding energy (Haynes rule), confirming the shallow nature of this defect center, which we attribute to a SnZn double donor compensated by an unknown single acceptor.
36 MATERIALS SCIENCE↗
Investigating signatures of phase transitions in neutron-star cores
Neutron stars explore matter at the highest densities in the universe such that their inner cores might undergo a phase transition from hadronic to exotic phases, e.g., quark matter. Such a transition could be associated with nontrivial structures in the density behavior of the speed of sound, such as jumps and sharp peaks. Here, in this work, we employ a physics-agnostic approach to model the density dependence of the speed of sound in neutron stars and study to what extent the existence of nontrivial structures can be inferred from existing astrophysical observations of neutron stars. For this, we exhaustively study different equations of state, including as well those with explicit first-order phase transitions. We obtain a large number of different equation of states which reproduce the same astrophysical observations and obey the same physical constraints, such as mechanical stability and causality. Among them, some have nontrivial structures in the sound speed whereas others do not. We conclude that astrophysical information to date do not require the existence of a phase transition to quark matter in the density range explored in the core of neutron stars.
79 ASTRONOMY AND ASTROPHYSICS↗
Near-Threshold Rovibrational Excitation of HF by Electron Impact
The pronounced threshold peaks found in cross sections for electron-impact excitation of the vibrational levels of HF have been studied using an R-matrix method, in which electron exchange, correlation effects and polarization are included. Vibration is modelled inside the R-matrix sphere using the energy-modified adiabatic phase matrix method (EMAP). Rotation of the target molecule is treated outside the R-matrix sphere, using the frame transformation method. The external rovibronic close-coupling equations are solved by analytic methods. Analysis of the multichannel threshold structures indicates that the peaks found for rovibrational excitation of nu = 1 can be interpreted as virtual states while those for nu = 2 correspond to nuclear-excited Feshbach resonances. These two different results correspond simply to a change of sign of a small parameter that is determined by the threshold analysis. Whereas the overall shapes of the excitation peaks agree with earlier theoretical results, we have found detailed rotational fine structures for scattering energies on the order of the rotational constant above and below the opening of the vibrational channels. The partial and total cross sections for rovibrational state-to-state transitions in the energy region of the peaks are analysed. Characteristic cusp structures and excitation peaks are found at the rovibrational thresholds for transitions with small angular momentum transfer (Delta)j =0, 1 and 2. Differential cross sections are similar to recent measurements. These experimental data do not show the relatively sharp rise at the vibrational thresholds indicated by theory. Theory and experiment are in good agreement for the shape and magnitude of the angular dependence of cross sections for rovibrational state-to-state transitions, especially at larger energies.
Thummel, Helmar T.↗
A Reversible Structural Phase Transition by Electrochemically-Driven Ion Injection into a Conjugated Polymer
We nd that conjugated polymers can undergo reversible structural phase transitions during electrochemical oxidation and ion injection. We study poly[2,5-bis(thiophenyl)-1,4-bis(2-(2-(2- methoxyethoxy)ethoxy)ethoxy)benzene] (PB2T-TEG), a conjugated polymer with glycolated side chains. Using grazing incidence wide angle X-ray scattering (GIWAXS), we show that, in contrast to previously known polymers, this polymer switches between two structurally distinct crystalline phases associated with electrochemical oxidation/reduction in an aqueous electrolyte. Importantly, we show that this unique phase change behavior has important physical consequences for ion transport. Notably, using moving front experi- ments visualized by both optical microscopy and super-resolution photoinduced force microscopy (PiFM), we show that a propagating ion front in PB2T-TEG exhibits non-Fickian transport, retaining a sharp step-edge prole, in stark contrast to the Fickian diusion more commonly observed. This structural phase transition is reminiscent of those accompanying ion uptake in inorganic materials like LiFePO4. We propose that engineering similar properties in future conjugated polymers may enable the realization of new materials with superior performance in electrochemical energy storage or neuromorphic memory applications.
Bischak, Connor G.↗
Surface-Pressure and Flow-Visualization Data at Mach Number of 1.60 for Three 65 deg Delta Wings Varying in Leading-Edge Radius and Camber
An experimental investigation of the effect of leading-edge radius, camber, Reynolds number, and boundary-layer state on the incipient separation of a delta wing at supersonic speeds was conducted at the Langley Unitary Plan Wind Tunnel at Mach number of 1.60 over a free-stream Reynolds number range of 1 x 106 to 5 x 106 ft-1. The three delta wing models examined had a 65 deg swept leading edge and varied in cross-sectional shape: a sharp wedge, a 20:1 ellipse, and a 20:1 ellipse with a -9.750 circular camber imposed across the span. The wings were tested with and without transition grit applied. Surface-pressure coefficient data and flow-visualization data indicated that by rounding the wing leading edge or cambering the wing in the spanwise direction, the onset of leading-edge separation on a delta wing can be raised to a higher angle of attack than that observed on a sharp-edged delta wing. The data also showed that the onset of leading-edge separation can be raised to a higher angle of attack by forcing boundary-layer transition to occur closer to the wing leading edge by the application of grit or the increase in free-stream Reynolds number.
McMillin, S. Naomi↗
Effects of temperature on helium bubble behaviour in Fe–9Cr alloy
In the present study, Fe–9Cr model alloys were irradiated by 275 keV He + ions at 500 to 800 °C to a peak damage level and implanted helium content of 0.5 dpa and 0.75 at% He, respectively. Effects of temperature on He bubble behaviour were studied by transmission electron microscopy (TEM) to reveal the temperature effects. The bubble spatial distribution changes from homogenous at 500 and 600 °C to heterogeneous at 700 and 800 °C, due to preferential bubble precipitation on dislocations and grain boundaries at high temperature. Faceted bubbles with low energy faces along the {001} planes were present at all four temperatures and are attributed to surface energy minimization. Bubble precipitation on the GBs became more pronounced with increasing temperature. Meanwhile, the cavity swelling increased with increasing temperature, from 0.59% at 500 °C to 8.21% at 800 °C with a sharp increase above 700 °C. By analysing the temperature dependence of bubble size and density, a transition temperature between low and high temperature regimes was obtained in terms of different activation energies which are related to different bubble nucleation and formation mechanisms.
36 MATERIALS SCIENCE↗
Negative Thermal Expansion, Response to Pressure and Phase Transitions in CaTiF 6
Strong volume negative thermal expansion over a wide temperature range typically only occurs in ReO 3 -type fluorides that retain an ideal cubic structure to very low temperatures, such as ScF 3 , CaZrF 6 , CaHfF 6 , and CaNbF 6 . In this work, CaTiF 6 was examined in an effort to expand this small family of materials. However, it undergoes a cubic ($Fm\overline{3}m$) to rhombohedral ($R\overline3$) transition on cooling to ~120 K, with a minimum volume coefficient of thermal expansion (CTE) close to –42 ppm K –1 at 180 K and a CTE of about –32 ppm K –1 at room temperature. On compression at ambient temperature, the material remains cubic to ~0.25 GPa with K 0 = 29(1) GPa and K' 0 = –50(5). Cubic CaTiF 6 is elastically softer and shows more pronounced pressure induced softening, than both CaZrF 6 and CaNbF 6 . In sharp contrast to both CaZrF 6 and CaNbF 6 , CaTiF 6 undergoes a first-order pressure induced octahedral tilting transition to a rhombohedral phase ($R\overline3$) on compression above 0.25 GPa, which is closely related to that seen in ScF 3 . Just above the transition pressure, this phase is elastically very soft with a bulk modulus of only ~4 GPa as octahedral tilting associated with a reduction in the Ca–F–Ti angles provides a low energy pathway for volume reduction. This volume reduction mechanism leads to highly anisotropic elastic properties, with the rhombohedral phase displaying both a low bulk modulus and negative linear compressibility parallel to the crystallographic c -axis for pressures below ~2.5 GPa. At ~3 GPa, a further phase transition to a poorly ordered phase occurs.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Time-gated single-photon detection module with 110 ps transition time and up to 80 MHz repetition rate
We present the design and characterization of a complete single-photon counting module capable of time-gating a silicon single-photon avalanche diode with ON and OFF transition times down to 110 ps, at repetition rates up to 80 MHz. Thanks to this sharp temporal filtering of incoming photons, it is possible to reject undesired strong light pulses preceding (or following) the signal of interest, allowing to increase the dynamic range of optical acquisitions up to 7 decades. A complete experimental characterization of the module highlights its very flat temporal response, with a time resolution of the order of 30 ps. The instrument is fully user-configurable via a PC interface and can be easily integrated in any optical setup, thanks to its small and compact form factor.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Identification of dopant site and its effect on electrochemical activity in Mn-doped lithium titanate
Doped metal oxide materials are commonly used for applications in energy storage and conversion, such as batteries and solid oxide fuel cells. The knowledge of the electronic properties of dopants and their local environment is essential for understanding the effects of doping on the electrochemical properties. Using a combination of x-ray absorption near-edge structure spectroscopy (XANES) experiment and theoretical modeling we demonstrate that in the dilute (1 at .%) Mn-doped lithium titanate (Li 4/3 Ti 5/3 O 4 , or LTO) the dopant Mn 2+ ions reside on tetrahedral (8a) sites. First-principles Mn K-edge XANES calculations revealed the spectral signature of the tetrahedrally coordinated Mn as a sharp peak in the middle of the absorption edge rise, caused by the 1s → 4 p transition, and it is important to include the effective electron-core hole Coulomb interaction in order to calculate the intenisty of this peak accurately. Finally, this dopant location can explain the impedance of Li migration through the LTO lattice during the charge-discharge process, and, as a result, the observed remarkable 20% decrease in electrochemical capacity of the 1% Mn-doped LTO compared to pristine LTO.
36 MATERIALS SCIENCE↗
Coupling of organic cation and inorganic lattice in methylammonium lead halide perovskites: Insights into a pressure-induced isostructural phase transition
Organic-inorganic hybrid metal-halide perovskite (OIHP) materials provide a tunable platform for engineering their optoelectronic properties. Although several high-pressure studies have been conducted from the OIHP family of single crystals and films, the exact nature of the dynamic coupling of the CH 3 NH 3 (MA) cation with the octahedral lattice framework and the mechanisms responsible for the structural phase transformation under pressure are not well captured. By combined photoluminescence (PL), synchrotron-based x-ray diffraction, and Raman-scattering studies as a function of pressure from methylammonium lead bromide (MAPbBr 3 ), we shed light on an isostructural phase transition due to the coupling of the MA cation and the PbBr 6 lattice through hydrogen bonding. The sharp discontinuities at ~ 1 GPa and ~ 3 GPa in the PL peak positions correlate with the structural changes observed in high-pressure XRD and Raman-scattering studies. The electronic band edge as a function of pressure is calculated within density-functional theory. The PL peak position, intensity and width of the excitonic peak show significant changes at 2 GPa, which corroborate the changes observed in high-pressure Raman-scattering studies. The frequencies of the lattice modes and the C-H/N-H bending and stretching modes of the MA cation show anomalous changes and other nuances at 2 GPa. The suppression of rotational and orientational disorder of the organic moiety is initiated at 2 GPa and the ordering is completed by 3.0 GPa, leading to an order-disorder type cubic II (Im$\overline{3}$) to orthorhombic ( Pnma ) phase transition. Along with the revelation of an isostructural transformation at 2 GPa, this paper highlights the impact of molecular vibrations on the electronic properties of MAPbBr 3 under pressure.
36 MATERIALS SCIENCE↗
Self-similar Cosmic-Ray Transport in High-resolution Magnetohydrodynamic Turbulence
We study the propagation of cosmic rays (CRs) through a simulation of magnetohydrodynamic (MHD) turbulence at an unprecedented resolution of 10,240 3 . We drive turbulence that is subsonic and super-Alfvénic, characterized by δB rms /B 0 = 2. The high resolution enables an extended inertial range such that the Alfvén scale l A , where δB(l A ) ≈ B 0 , is well resolved. This allows us to properly capture how the cascade transitions from large amplitudes on large scales to small amplitudes on small scales. We find that sharp bends in the magnetic field are key mediators of particle transport even on small scales via resonant curvature scattering. We further find that particle scattering in the turbulence shows strong hints of self-similarity: (1) the diffusion has a weak energy dependence over almost two decades in particle energy, and (2) the particles’ random walk exhibits a broad power-law distribution of collision times such that the diffusion is dominated by the rarest, long-distance excursions. Our results suggest that large-amplitude MHD turbulence can provide efficient scattering over a wide range of CR energies and may help explain many CR observations above a ∼TeV: the flattening of the B/C spectrum, the hardening of CR primary spectra, and the weak dependence of arrival anisotropy on CR energy.
Kempski, Philipp [Princeton Univ., NJ (United Stat↗
Temporal entanglement transitions in the periodically driven Ising chain
Periodically driven quantum systems can host non-equilibrium phenomena without static analogs, including in their entanglement dynamics. Here, we discover (TET) in a Floquet spin chain, which correspond to a quantum phase transition in the spectrum of the entanglement Hamiltonian and are signaled by dynamical spontaneous symmetry breaking. We identify the symmetry principles underlying these transitions: they appear when the driven Hamiltonian preserves global symmetry (here, ℤ2), the initial state respects this symmetry, and the reduced density matrix carries weight in both subsystem-parity sectors, with TET occurring precisely when the sector weights become equal (given the previous two conditions are also satisfied). Intriguingly, we find these transitions across a broad range of driving frequencies (from adiabatic to high-frequency regime) and independently of drive details, where they manifest as periodic, sharp entanglement spectrum reorganizations marked by the Schmidt-gap closure, a vanishing entanglement echo, and symmetry-quantum-number flips, while remaining invisible to conventional local observables. At high frequencies, the entanglement Hamiltonian acquires an intrinsic timescale decoupled from the drive period, rendering the transitions genuine steady-state features. Finite-size scaling reveals universal critical behavior with correlation-length exponent 𝜈 = 1, matching equilibrium Ising universality despite its emergence from purely dynamical mechanisms decoupled from static criticality. Furthermore, our work establishes TET as novel features in Floquet quantum matter.
36 MATERIALS SCIENCE↗