Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “second order phase transitions”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 235 records · Page 13

Flat nonlinear optics with intersubband polaritonic metasurfaces

Nonlinear intersubband polaritonic metasurfaces produce some of the strongest second- and third-order nonlinear optical responses reported for condensed matter systems at infrared frequencies. These metasurfaces are fabricated as two-dimensional arrays of nanoresonators from multi-quantum-well semiconductor heterostructures, designed to produce strong nonlinear responses associated with intersubband transitions. By optimally coupling the optical modes of the nanoresonators to vertically polarized intersubband transitions in semiconductor heterostructures, one can boost the nonlinear response associated with intersubband transitions, make intersubband transitions interact with free-space radiation at normal incidence, and hence produce optically thin flat nonlinear optical elements compatible with free-space optical setups. As a result of the strong nonlinear response in these systems, significant nonlinear conversion efficiencies (>0.1 %) can be attained in deeply subwavelength optical films using modest pumping intensities of only 10–100 kW/cm 2 . Subwavelength metasurface thickness relaxes phase-matching constraints limiting the operation of bulk nonlinear crystals. Furthermore, the amplitude and phase of the nonlinear optical response in intersubband polaritonic metasurfaces can be tailored for a specific pump wavelength and a nonlinear process of interest through the co-optimization of quantum engineering of electron states in semiconductor heterostructures and photonic engineering of the metasurface nanoresonators design. Additionally, an applied voltage can dynamically control the amplitude and phase of the nonlinear optical response at a nanoresonator level. Here, we review the current state of the art in this rapidly expanding field, focusing on nonlinear processes supporting second-harmonic generation, saturable absorption, and optical power limiting.

flat optics↗

Electronic topological transitions in cadmium under pressure studied via theoretical and experimental x-ray absorption spectroscopy

Here, an electronic topological transition (ETT) in cadmium below 1 GPa is investigated in situ with experimental x-ray absorption spectroscopy and projecting calculated core-valence excitons onto the band structure. These projections are a useful application of the Bethe-Salpeter equation approach that considers many-body effects. The method described herein can be used for systems that are otherwise difficult to probe in situ; therefore, it provides a generalizable approach to identifying and understanding ETTs under high pressure. Although pressure-induced ETTs are often probed using indirect structural responses, our own x-ray diffraction and Raman studies suggest a second-order structural transition around 3 GPa but are largely insensitive to or inconclusive for the previously studied ETT in this region.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

New proxies for second-order cumulants of conserved charges in heavy-ion collisions within the EPOS4 framework

Proxies for cumulants of baryon number 𝐵, electric charge 𝑄, and strangeness 𝑆 are usually measured in heavy-ion collisions via moments of net-number distribution of given hadronic species. Since these cumulants of conserved charges are expected to be sensitive to the existence of a critical point in the phase diagram of nuclear matter, it is crucial to ensure that the proxies used as substitutes are as close to them as possible. Hence, we use the EPOS 4 framework to generate Au + Au collisions at several collision energies of the BNL Relativistic Heavy Ion Collider beam energy scan. We compute second-order net cumulants of 𝜋, 𝐾, and 𝑝, for which experimental data have been published as well as the corresponding conserved charge cumulants. We then compare them with proxies, defined in previous lattice QCD and hadron resonance gas model studies, which are shown to reproduce more accurately their associated conserved charge cumulants. We investigate the impact of hadronic rescatterings occurring in the late evolution of the system on these quantities, as well as the amount of signal actually originating from the bulk medium which endures a phase transition.

Physics↗

The long-term intensity behavior of Centaurus X-3

In three years of observation, the X-ray source Cen X-3 appears to alternate between 'high states', with an intensity of 150 counts/s (2-6 keV) or greater, and 'low states', where the source is barely detectable. The time scale of this behavior is of the order of months, and no apparent periodicity has been observed. Analysis of two transitions between these states is reported. During two weeks in July 1972, the source increased from about 20 counts/s to 150 counts/s. The detailed nature of this turn-on is interpreted in terms of a model in which the supergiant's stellar wind decreases in density. A second transition, a turnoff in February 1973, is similarly analyzed and found to be consistent with a simple decrease in accretion rate. The presence of absorption dips during transitions at orbital phases 0.4-0.5 as well as at phase 0.75 is discussed. The data are consistent with a stellar-wind accretion model and with different kinds of extended lows caused by increased wind density masking the X-ray emission or by decreased wind density lowering the accretion rate.

Schreier, E. J.↗

Understanding the superconductivity and charge density wave interaction through quasi-static lattice fluctuations

In unconventional superconductors, coupled charge and lattice degrees of freedom can manifest in ordered phases of matter that are intertwined. In the cuprate family, fluctuating short-range charge correlations can coalesce into a longer-range charge density wave (CDW) order which is thought to intertwine with superconductivity, yet the nature of the interaction is still poorly understood. Here, by measuring subtle lattice fluctuations in underdoped YBa 2 Cu 3 O 6+y on quasi-static timescales (thousands of seconds) through X-ray photon correlation spectroscopy, we report sensitivity to both superconductivity and CDW. The atomic lattice shows remarkably faster relaxational dynamics upon approaching the superconducting transition at T c ≈ 65 K. By tracking the momentum dependence, we show that the intermediate scattering function almost monotonically scales with the relaxation distance of atoms away from their average positions above T c and in the presence of the CDW state, while this peculiar trend is reversed for other temperatures. These observations are consistent with an incipient CDW stabilized by local strain. This work provides insights into the crucial role of relaxational atomic fluctuations for understanding the electronic physics cuprates, which are inherently disordered due to carrier doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Anisotropic magnetocaloric effect and critical behavior in CrCl 3

We report anisotropic magnetocaloric effect and magnetic critical behavior in the van der Waals crystal CrCl 3 . The maximum magnetic entropy change $-ΔS^{max}_M ~ 14.6 J kg -1 K -1 and the relative cooling power RCP ~ 340.3 J kg -1 near T c with a magnetic field change of 5 T are much larger when compared to CrI 3 or CrBr 3 . The rescaled ΔS M (T, H) curves collapse onto a universal curve, confirming the second-order ferromagnetic transition. Finally, further critical behavior analysis around T c presents a set of critical exponents β = 0.28 (1) with T c = 19.4 (2) K, γ = 0.89 (1) with T c = 18.95 (8) K, and δ = 4.6 (1) at T c = 19 K , which are close to those of the theoretical tricritical mean-field model.

2-dimensional systems↗

A Model of Grain Boundary Complexion Transitions and Grain Growth in Yttria-Doped Alumina

In this work, we present a physically-parameterized microstructure evolution model for the Yttria-doped alumina system. Yttria-doped alumina is a well-known ceramic system which undergoes first-order phase-like transitions at grain boundaries, which can radically alter interface properties. The change in interfacial properties in turn can radically change microstructure outcomes during processing, including the induction of abnormal grain growth modes. In this work, we develop a simulation that evolves alumina microstructure as a function of yttria concentration and temperature. In the window studied, we achieve strong agreement with reviewed experimental results in identifying the windows for large grains, small grains, abnormal grain growth, and complexion transition kinetics. We then apply the model to study and demonstrate how the possible inclusion of second-phase particles or uneven solute distribution profiles will impact microstructure evolution. It is found that particles do not significantly affect abnormal grain growth in the window studied (but do lead to reduced grain size through pinning effects). It is found that even modest amounts of solute inhomogeneity will result in substantial changes in microstructure outcomes, frequently leading to clusters of abnormal grains. This model largely corroborates the expectations and hypotheses made from recent experimental studies in oxide-doped alumina systems. Further, it is found that there exists a peak transition fraction for the system at which abnormal grain size tends to be maximized.

Grain Growth, Grain Boundary Complexion, abnormal ↗

Seebeck effect studies in the charge density wave state of organic conductor α-(BEDT–TTF) 2 KHg(SCN) 4

Angular, magnetic field and temperature dependence of the interlayer Seebeck effect of the multiband organic conductor $\alpha -{(\mathrm{BEDT}-\mathrm{TTF})}_{2}\mathrm{KHg}{(\mathrm{SCN})}_{4}$ is experimentally studied at temperatures down to 0.55 K and fields up to 31 T in a wide range of angles. The background magnetic field and angular component of the Seebeck effect as well as the magnetic quantum oscillations that originate from the closed Fermi surface orbits are analyzed. The background interlayer Seebeck effect components show that above certain tilt angle of the magnetic field and above the kink field there is another CDW state in $\alpha -{(\mathrm{BEDT}-\mathrm{TTF})}_{2}\mathrm{KHg}{(\mathrm{SCN})}_{4}$, between previously known CDW0 and CDWx states, in agreement with magnetoresistance and magnetization studies in this material. Our observations show that this state possesses some of the properties of the CDW0 state. The Fermi surface in the third CDW state is still reconstructed but less imperfectly nested as expected as this state develops above the kink field. The temperature dependence of the interlayer Seebeck effect reveals that this state is developed at temperatures below 3 K and at field orientations around the second AMRO maximum. In addition, for the first time, a detailed T - θ phase diagram of $\alpha -{(\mathrm{BEDT}-\mathrm{TTF})}_{2}\mathrm{KHg}{(\mathrm{SCN})}_{4}$ based purely on Seebeck effect measurements is presented. We find that other states and transitions, beside the CDW states, also exist in a given temperature and angular range that have not been previously reported. These observations change the whole picture about the transport processes in the organic conductor $\alpha -{(\mathrm{BEDT}-\mathrm{TTF})}_{2}\mathrm{KHg}{(\mathrm{SCN})}_{4}$ and allow to better understand the complex nature of the CDW order in this and similar compounds.

Physics↗

Higher Dimensionality in the Mg–Co–B System: Synthesis and Structure of Incommensurate Composite Mg 1+ε Co 4 B 4

Guided by high-temperature in situ X-ray diffraction, the discovery and synthesis of Mg 1+ε Co 4 B 4 (ε ≈ 0.272) using a MgH 2 hydride precursor is reported, along with a detailed crystal structure description and measurement of magnetic properties. The mismatch in lattice periodicities between Mg and Co–B substructures places Mg 1+ε Co 4 B 4 in the family of incommensurate composite crystals and prompted structural refinement in a (3 + 1)-dimensional model. The structure of Mg 1+ε Co 4 B 4 (P4 2 /ncm(00γ)s00s, a = 6.75847(7) Å, c = 3.94007(8) Å, q = (0, 0, 1.2721(3))) was refined from neutron powder diffraction and high-resolution powder X-ray diffraction data and confirmed by scanning transmission electron microscopy and electron diffraction. Mg 1+ε Co 4 B 4 is isostructural to Nd 1+ε Fe 4 B 4 and several related ternary borides with 0.07 ≤ ε ≤ 0.17, with Mg occupying the rare-earth site. Satellite reflections in the electron diffraction patterns hinted at positional modulation of the transition metal–boron substructure by Mg atoms, but this could not be refined from the neutron or X-ray diffraction data. Low-temperature magnetic measurements show no indications of long-range magnetic ordering or superconductivity down to 5 K. DFT calculations confirmed the absence of a magnetically ordered ground state and the stability of a 5:4 supercell (ε = 0.25) relative to the fully commensurate structure. Neutron diffraction and synthesis from elemental Mg demonstrated that Mg 1+ε Co 4 B 4 is not a hydrogen-stabilized phase. Mg 1+ε Co 4 B 4 represents the second compound reported in the Mg–Co–B system and the first superspace symmetry model of a Nd 1+ε Fe 4 B 4 -type incommensurate composite compound refined from powder diffraction data.

chemical structure↗

Expansion of the high field-boosted superconductivity in UTe2 under pressure

Abstract Magnetic field-induced superconductivity is a fascinating quantum phenomenon, whose origin is yet to be fully understood. The recently discovered spin-triplet superconductor, UTe 2 , exhibits two such superconducting phases, with the second one reentering in the magnetic field of 45 T and persisting up to 65 T. More surprisingly, in order to induce this superconducting phase, the magnetic field has to be applied in a special angle range, not along any high symmetry crystalline direction. Here we investigated the evolution of this high-field-induced superconducting phase under pressure. Two superconducting phases merge together under pressure, and the zero resistance persists up to 45 T, the field limit of the current study. We also reveal that the high-field-induced superconducting phase is completely decoupled from the first-order field-polarized phase transition, different from the previously known example of field-induced superconductivity in URhGe, indicating superconductivity boosted by a different paring mechanism.

Materials Science↗

FeSi 4 P 4 and CoSi 3 P 3 : Hidden Gems of Ternary Tetrel Pnictides with Outstanding Nonlinear Optical Properties

Metal silicon phosphides have shown promise as nonlinear optical materials. To be practically useful and cheap, earth-abundant 3d transition metals are preferred over their scarcer and more expensive 4d and 5d counterparts. Here, we developed a synthetic method to produce polycrystalline bulk powders and millimeter-sized single crystals of ternary compounds FeSi 4 P 4 and CoSi 3 P 3 . Both studied compounds have noncentrosymmetric and chiral crystal structures with ordered Si/P arrangements as was confirmed by single-crystal X-ray diffraction and solid-state NMR. Despite the presence of the transition metal, FeSi 4 P 4 and CoSi 3 P 3 are semiconductors with direct band gaps of 1.3 and 1.6 eV, respectively, indicating low-spin d 6 electronic configuration for octahedral Fe 2+ and Co 3+ . Relative to reported sulfide materials, FeSi 4 P 4 and CoSi 3 P 3 small band gap semiconductors demonstrate an outstanding combination of second-harmonic generation (SHG) activity and laser damage threshold (LDT). Both studied materials are phase-matchable with a 2.09 μm laser and not only exhibit 2.5–3.0 times stronger SHG signal than that of the state-of-the-art AgGaS 2 standard but also demonstrate an LDT response of 2.3–2.5 times higher than that of AgGaS 2 (at 1.09 μm laser with a pulse width of 10 ns)-which is unprecedented for small band gap semiconductors.

36 MATERIALS SCIENCE↗

Should We Conserve Entropy or Energy when Computing CAPE with Mixed-Phase Precipitation Physics?

Abstract The rapidly increasing resolution of global atmospheric reanalysis and climate model datasets necessitates finding methods for computing convective available potential energy (CAPE) both efficiently and accurately. To this end, this article compares two common methods for computing CAPE which conserve either energy or entropy. Inaccuracies in these computations arise from both physical and numerical errors. For instance, computing CAPE with entropy conserved results in physical errors from nonequilibrium phase transitions but minimizes numerical errors because solutions are analytic at each height. In contrast, computing CAPE with energy conserved avoids these physical errors, but accumulates numerical errors that are grid-resolution-dependent because the numerical integration of a differential equation is required. Analysis of CAPE computed with large databases of soundings from the tropical Amazon and midlatitude storm environments shows that physical errors from the entropy method are typically 1%–3% as large as CAPE, which is comparable to the numerical errors from conserving energy with grid spacing of 25 and 250 m using explicit first-order and second-order integration schemes, respectively. Errors in entropy-based CAPE calculations are also insensitive to vertical grid spacing, in contrast to energy-based calculations whose error strongly scales with the grid spacing. It is shown that entropy-based methods are advantageous when intercomparing datasets with differing vertical resolution because they produce accurate and reasonably fast results that are insensitive to grid resolution, whereas a second-order energy-based method is advantageous when analyzing data with a consistent vertical resolution because of its superior computational efficiency. Significance Statement Convective available potential energy (CAPE) is a measure of instability in the atmosphere that helps forecasters and researchers understand when and where thunderstorms will form. The purpose of this article is to identify the most efficient and accurate methods for computing CAPE. Two methods are considered here, one that relates to the entropy (a measure of thermodynamic disorder) of an air parcel and one that relates to the energy of an air parcel. Results indicate that the entropy method is most accurate and insensitive to the resolution of the data used for the calculation (which can vary considerably), whereas the energy method uses the least computation time.

Peters, John M.↗

ICE/ISEE plasma wave data analysis

The interval reported on, from Jan. 1990 to Dec. 1991, has been one of continued processing and archiving of ICE plasma wave (pw) data and transition from analysis of ISEE 3 and ICE cometary data to ICE data taken along its cruise trajectory, where coronal mass ejections are the focus of attention. We have continued to examine with great interest the last year of ISEE 3's precomet phase, when it spent considerable time far downwind from Earth, recording conditions upstream, downstream, and across the very weak, distant flank bow shock. Among other motivations was the apparent similarity of some shock and post shock structures to the signatures of the bow wave surrounding comet Giacobini-Zinner, whose ICE-phase data was revisited. While pursuing detailed, second-order scientific inquiries still pending from the late ISEE 3 recordings, we have also sought to position ourselves for study of CME's by instituting a data processing format new to the ISEE 3/ICE pw detector. Processed detector output has always been summarized and archived in 24-hour segments, with all pw channels individually plotted and stacked one above the next down in frequency, with each channel calibrated separately to keep all data patterns equally visible in the plots, regardless of gross differences in energy content at the various frequencies. Since CME's, with their preceding and following solar wind plasmas, can take more than one day to pass by the spacecraft, a more condensed synoptic view of the pw data is required to identify, let alone assess, CME characteristics than has been afforded by the traditional routines. This requirement is addressed in a major new processing initiative in the past two years. Besides our own ongoing and fresh investigations, we have cooperated, within our resources, with studies conducted extramurally by distant colleagues irrespective of the phase of the ISEE 3/ICE mission under scrutiny. The remainder of this report summarizes our processing activities, our investigations, both internal and cooperative, our scientific results, and our publication activity.

Greenstadt, E. W.↗

Sn-modified BaTiO 3 thin film with enhanced polarization

Hybrid molecular beam epitaxy (MBE) growth of Sn-modified BaTiO 3 films was realized with varying domain structures and crystal symmetries across the entire composition space. Macroscopic and microscopic structures and the crystal symmetry of these thin films were determined using a combination of optical second harmonic generation (SHG) polarimetry and scanning transmission electron microscopy (STEM). SHG polarimetry revealed a variation in the global crystal symmetry of the films from tetragonal (P4mm) to cubic (PM3¯m) across the composition range, x = 0 to 1 in BaTi 1–x Sn x O 3 (BTSO). STEM imaging shows that the long-range polar order observed when the Sn content is low (x = 0.09) transformed to a short-range polar order as the Sn content increased (x = 0.48). Consistent with atomic displacement measurements from STEM, the largest polarization was obtained at the lowest Sn content of x = 0.09 in Sn-modified BaTiO 3 as determined by SHG. Furthermore, these results agree with recent bulk ceramic reports and further identify this material system as a potential replacement for Pb-containing relaxor-based thin film devices.

36 MATERIALS SCIENCE↗

High Entropy Oxide Relaxor Ferroelectrics

Relaxor ferroelectrics are important in technological applications due to strong electromechanical response, energy storage capacity, electrocaloric effect, and pyroelectric energy conversion properties. Current efforts to discover and design materials in this class generally rely on substitutional doping as slight changes to local compositional order can significantly affect the Curie temperature, morphotropic phase boundary, and electromechanical responses. In this work, we demonstrate that moving to the strong limit of compositional complexity in an ABO 3 perovskite allows stabilization of relaxor responses that do not rely on a single narrow phase transition region. Entropy-assisted synthesis approaches are utilized to synthesize single-crystal Ba(Ti 0.2 Sn 0.2 Zr 0.2 Hf 0.2 Nb 0.2 )O 3 [Ba(5B)O] films. The high levels of configurational disorder present in this system are found to influence dielectric relaxation, phase transitions, nanopolar domain formation, and Curie temperature. Temperature-dependent dielectric, Raman spectroscopy, and second-harmonic generation measurements reveal multiple phase transitions, a high Curie temperature of 570 K, and the relaxor ferroelectric nature of Ba(5B)O films. The first-principles theory calculations are used to predict possible combinations of cations to design relaxor ferroelectrics and quantify the relative feasibility of synthesizing these highly disordered single-phase perovskite systems. Further, the ability to stabilize single-phase perovskites with various cations on the B-sites offers possibilities for designing high-performance relaxor ferroelectric materials for piezoelectric, pyroelectric, and electrocaloric applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Location and thermal evolution of the pseudogap due to spin fluctuations

We study pseudogap behavior in a metal near a spin density wave (SDW) instability due to thermal magnetic fluctuations. We consider the t–t' Hubbard model on a square lattice at a finite doping, at intermediate coupling strength, and analyze the thermal evolution of the electron spectral function between a SDW ordered state at low temperatures and a normal Fermi liquid at high temperatures. We argue that for proper description of the pseudogap one needs to sum up infinite series of diagrams for both the fermionic self-energy and the SDW order parameter in the SDW state or the magnetic correlation length in the paramagnetic state. We use the eikonal approach to sum up an infinite series of diagrammatic contributions from thermal fluctuations. Earlier studies found that in the SDW state the spectral function A k (ω) of a hot fermion at a finite T is exponentially small below the energy scale Δ(T), which scales with SDW order and vanishes at the ordering temperature T N , and has a hump at a larger frequency Δ PG , comparable to the zero-temperature SDW gap Δ(T = 0). We argue that the hump, which we associate with the pseudogap, survives in some T range above T N . We show that this range is split by regions of strong and weak pseudogap behavior. In the first region, Δ PG is weakly temperature dependent, despite the fact that it comes from thermal fluctuations. Such a behavior has been seen in numerical studies of the Hubbard model. We show that to obtain it one needs to go beyond the one-loop approximation and sum up the infinite series of diagrams. In the second regime, Δ PG decreases with increasing T and eventually vanishes. Here, we further argue that a magnetic pseudogap at a finite T emerges only if the ground state is magnetically ordered. We present the phase diagram and apply the results to high-T c cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Symmetry instability induced by topological phase transitions

The symmetry-topology interplay dictates how to define order parameters and classify material ordered phases. However, current understanding of this interplay has been predominately approached from a one-sided perspective, with topological states being classified within the constraints imposed by specific fixed symmetries. Here, in this study, we complete this full circle by demonstrating spontaneous symmetry breaking that results from a periodic alteration of topological phases induced by light in a centrosymmetric Dirac material ZrTe 5 . The distinguishing feature is the observation of robust correlation and striking anomalies in the fluence and temperature dependence of key transport parameters. First, both shift current 𝐽 𝑠 and displacement current 𝐽 𝑑 , arising from interband transition and infrared phonon driving, respectively, along with charge carrier pumping, exhibit similar behaviors. Second, they all peak at similar low pump fluence, followed by a subsequent reduction as the fluence further increases. This behavior cannot be explained by conventional energetically allowed, direct excitations. Third, all the three observables exhibit anomalies when they approach the topological phase transition temperature. These results highlight the unique low-energy pumping behaviors in ZrTe 5 , characterized by reversible fluence dependence and a “hinge-like” interaction that connects various electronic and lattice observables, including phonons, charge carriers, and currents. Our findings, supported by model analysis, provide key insights into the fragility of crystalline (inversion) and time-reversal symmetries during the dynamics of topological phase transitions. This fragility drives spontaneous symmetry breaking, evidenced by the synchronized emergence of off-resonant infrared phonons and broken-symmetry photocurrents.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Analysis of a second-order-accurate finite-volume method for temporally-growing compressible shear layers

A finite-volume method for solving the compressible laminar Navier-Stokes equation in two dimensions is assessed for use in the simulation of transitional flows. The method is second-order-accurate, uses alternating-direction-implicit time integration, and a total-variation-diminishing smoothing operator in the inviscid flux terms. The test problem was a free shear layer with a forced periodicity in x at a specified wavelength and with the parallel mean flow specified as a hyperbolic-tangent profile. A grid refinement investigation verified this method to be second-order-accurate with less than 4 percent error in the growth rate of isolated modes on a 32 by 64 grid. The interaction between modes of similar amplitude was small, less than 1 percent. However, in cases where there was a dominant mode, numerical phase error pumped energy into all other modes. This error results in nonphysical growth rate for modes whose energy content is several orders of magnitude below the dominant mode. In the case when the dominant mode saturates, the pumping action stops and the growth rate of the next largest growing mode regains physical significance.

Atkins, H. L.↗