1st Order Transition Research Articles

Study of mesomorphic, thermal and optical properties of 4-pentylbenzoic acid (5BA) and 4-n-alkyl-4́-cyanobiphenyl (nCB; n = 5, 6) supramolecular hydrogen bonded mesogenic complexes

Within the scope of this study, the process of producing and analyzing a liquid crystalline substance (supramolecular hydrogen-bonded mesogen) is presented. The formation of this mesogen involves the use of two chemicals, namely 4-pentylbenzoic acid (5BA) and 4-n-alkyl-4́-cyanobiphenyl (nCB; n = 5, 6). Equimolar (1:1) 5BA/5CB and 5BA/6CB binary combination samples have been organized by using one at a time mixing 5CB and 6CB liquid crystal chemical substances with 5BA. Differential scanning calorimetry (DSC) and polarized optical microscopy (POM) are employed for the examination of phase transitions, and liquid crystalline phase texture properties of the produced mesogens. The phase transformation sequence that occurred during heating and cooling is Crystal (Cr) ↔ Smectic A (SmA) ↔ Nematic (N) ↔ Isotropic (I) with the 1st order or weakly 1st order transition. The nematic range value observed for 5BA/6CB is considerably smaller than the nematic range value observed for 5BA/5CB, but the thermal mesophase range value for both is approximately the same. Fourier-transform infrared (FTIR) evaluation of 5BA, 5CB, and their hydrogen-bonded combos (5BA/nCB; n = 5, 6) confirmed attribute peaks. The X-ray diffraction (XRD) study revealed that the produced mesogens possess a crystalline structure. In addition, UV–Vis experiments demonstrated that the increase in alkyl chain length in the combination resulted in a decrease in absorbance and wavelength values, while leading to an increase in absorbency and band gap energy values. These results propose workable purposes for the synthesized substances in liquid crystal displays and other optoelectronic devices. Overall, the findings display the feasibility and viability of these novel hydrogen-bonded liquid crystalline mesogens in various technological applications.

Investigation of the magnetic and structural properties in the non‐stoichiometric Heusler alloy Ni50Mn25+xSn25‐x; x = 13, 14

AbstractMemory shape magnetic alloys, especially Heusler alloys, are important materials in replacing conventional cooling with magnetic systems. In the present study off stoichiometric Heusler alloys with nominal composition Χ50Υ25+xΖ25‐x (X = Ni; Y = Mn; Z = Sn; x = 13, 14) were prepared by arc melting followed by thermal treatment. Structural properties were analyzed with X‐ray diffraction at room temperature (RT) and at elevated temperatures, above the martensite—austenite transition area, to determine the relevant crystallographic parameters and observe the transition. Martensite stabilization at RT appears to be a challenge, coexistence of martensite—austenite phases were observed and calculated for both 38–12 and 39–11 (16% and 12% austenite, respectively). Magnetization measurements versus temperature and field were recorded in the areas of interest where 1st order transitions were expected (355 K for x = 13 and 408 K for x = 14), and the magnetic entropy's changes (ΔSm) were determined [0.4 (J/kgK) for x = 13 and 0.3 J/(kgK) for x = 14; Hmax = 1 T]. The complex character of the magnetic properties and their dependence on Mn‐Sn ratio and on the distance between Mn atoms is discussed. The structure and the lattice parameters were determined using an anisotropic strain broadening model; stress and strain were detected in the structure due to crystal phase coexistence.

Testing for complementarity between the use of continuous no-till and cover crops: An application of entropy approach

The carbon sequestration and overall crop production sustainability benefits of no-till (NT) farming are fully realized only when NT is used continuously over several years. Research shows that most U.S. farmers do not use the practice continuously. One of the commonly suggested reasons for intermittent tillage is the risk of a significant yield penalty during the first several years after converting to continuous no-till (CNT). Agronomic research suggests that continuous cover crops (CCR) can be both an economical and biological answer to the risk of yield reduction associated with the use of CNT, as CCR accelerates the processes of converting and storing nitrogen in the soil and improves soil structure and water infiltration. However, whether farmers consider the complementary benefits of CNT and CCR is largely unknown. The objective of this study is to test the complementarity between the uses of the two conservation practices in the State of Indiana, U.S. We combine Quadratic Programming and Entropy approaches to estimate 1st-order Markov transition matrices for tillage and cover crops dynamic models, respectively. Then, we apply Bayes' theory to test the complementarity. The data used for the analysis come from the Conservation Tillage Information Center and Indiana Tillage and Cover Crops Transect, 1992–2019. The findings show that there is no evidence supporting complementarity between the use of CNT and CCR in Indiana. The results also show that the use of CCR in the State is growing steadily at a rate of approximately 30% during 2011–2015 and then stabilize during 2016–2019, whereas the share of land allocated to CNT remains flat in the same period. In addition to being the first formal test of the complementarity between the uses of the two sustainable crop production practices, the novelty of our contribution relates to the econometric methodology and the data. We introduce an approach for estimating dynamic models of farmers' yearly choices and demonstrate the possibility of testing for complementarity between the choices with very limited – aggregated and missing – data.

Does auditory deprivation impairs statistical learning in the auditory modality?

Early sensory deprivation allows assessing the extent of reorganisation of cognitive functions, well beyond sensory processing. As such, it is a good model to explore the links between sensory experience and cognitive functions. One of these functions, statistical learning – the ability to extract and use regularities present in the environment – is suspected to be impaired in prelingually deaf children with a cochlear implant. However, empirical evidence supporting this claim is very scarce and studies have reported contradictory results. This might be because previous studies have tested statistical learning only in the visual modality and did not make clear distinctions between multiple types of statistical regularities. To overcome these problems, we designed a modified serial reaction time task where cochlear implanted children and normal hearing children had to react to auditory sequences that embed multiple statistical regularities, namely transition probabilities of 0th, 1st or 2nd order. We compared the reaction times of the children with the output of a simple computational model that learns transition probabilities. First, 6–12 years old children were able to learn 0th and 1st order transition probabilities but not 2nd order ones. Second, there were no differences between cochlear implanted children and their normal hearing peers. These results indicate that auditory statistical learning is preserved in congenitally deaf children with cochlear implants. This suggests in turn that early auditory deprivation might not be crucially detrimental for the normal development of statistical learning.

Highly photoresponsive VO2(M1) thin films synthesized by DC reactive sputtering

We report synthesis, characterization and IR photoresponse properties of 150 ± 10 nm thick high quality VO2(M1) thin films synthesized by DC reactive sputtering. Phase formation was confirmed by X-ray diffraction and Raman spectroscopic measurements. Morphology and microstructure were analysed by atomic force microscope, scanning electron microscope and transmission electron microscope which revealed polycrystalline nature of nanosized films with root mean square (rms) roughness value of 8 ± 0.7 nm. Electrical measurements revealed 1st order transition of thin films with a change in resistance of more than two orders of magnitude and temperature coefficient of resistance, TCR of − 1.24% K−1 at 30 °C. The fabricated VO2(M1) IR photodetector exhibited excellent reproducible photoresponse properties when subjected to a 1064 nm laser under 250 mW cm−2 power density with a bias voltage of 5 V at the ambient conditions of temperature and pressure. The sensitivity, responsivity, external quantum efficiency and specific detectivity were observed to be 1775%, 40.09 mA W−1, 4.67% and 7.07 × 1011 Jones, respectively.

Magnetic-field-induced 1st order transition to FFLO state at paramagnetic limit in 2D superconductors

We have recently reported the first direct calorimetric observation of a magnetic-field-induced first-order phase transition into a high-field FFLO superconducting state at the Clogston-Chandrasekar ‘Pauli’ paramagnetic limitHp in a 2D superconductor κ − (BEDT-TTF)2Cu(NCS)2. The high-field state is both higher entropy and strongly paramagnetic, as thermodynamically required for the FFLO state. Here we compare our results with theoretical predictions for the field dependence of the high-field FFLO state in the 2D limit, revealing tentative evidence for transitions between FFLO states of differing order parameter. We also present calorimetric evidence for a 1st order phase transition into the FFLO state for a second 2D organic superconductor: β″ − (BEDT-TTF)2SF5(CH)2(CF)2(SO)3.

Phase Transitions for Cuboc Orders in Stacked Kagome Heisenberg Systems

Using the event-chain Monte Carlo (MC) algorithm, we investigate phase transitions of the stacked Kagome Heisenberg systems with classical vector spins including up to the 3rd-nearest-neighbor couplings. In particular, we focus on two types of non-coplanar spin orders ---cuboc1 and cuboc2 orders, both of which have twelve-sublattice structures accompanying the translational-symmetry breaking. We perform event-chain MC simulations up to L=72, where L represents the linear dimension of the stacked Kagome lattice, and then find that the cuboc1 transition shows 2nd-order-transition behaviors with a tendency to a weak-1st-order transition up to L=72, while the cuboc2 transition is basically described by the 1st-order transition. We then discuss the above transitions in connection with the effective Landau-Ginzburg-Wilson theory with the O(3)xO(3) symmetry.

Quantum tricritical points in NbFe2

Quantum critical points (QCPs) emerge when a 2nd order phase transition is suppressed to zero temperature. In metals the quantum fluctuations at such a QCP can give rise to new phases including unconventional superconductivity. Whereas antiferromagnetic QCPs have been studied in considerable detail ferromagnetic (FM) QCPs are much harder to access. In almost all metals FM QCPs are avoided through either a change to 1st order transitions or through an intervening spin-density-wave (SDW) phase. Here, we study the prototype of the second case, NbFe$_2$. We demonstrate that the phase diagram can be modelled using a two-order-parameter theory in which the putative FM QCP is buried within a SDW phase. We establish the presence of quantum tricritical points (QTCPs) at which both the uniform and finite $q$ susceptibility diverge. The universal nature of our model suggests that such QTCPs arise naturally from the interplay between SDW and FM order and exist generally near a buried FM QCP of this type. Our results promote NbFe$_2$ as the first example of a QTCP, which has been proposed as a key concept in a range of narrow-band metals, including the prominent heavy-fermion compound YbRh$_2$Si$_2$.

Thermodynamics of Criticality: Percolation Loci, Mesophases and a Critical Dividing Line in Binary-Liquid and Liquid-Gas Equilibria

High-temperature and pressure boundaries of the liquid and gas states have not been defined thermodynamically. Standard liquid-state physics texts use either critical isotherms or isobars as ad hoc boundaries in phase diagrams. Here we report that percolation transition loci can define liquid and gas states, extending from super-critical temperatures or pressures to “ideal gas” states. Using computational methodology described previously we present results for the thermodynamic states at which clusters of excluded volume (VE) and pockets of available volume (VA), for a spherical molecule diameter σ, percolate the whole volume (V = VE + VA) of the ideal gas. The molecular-reduced temperature (T)/pressure(p) ratios ( ) for the percolation transitions are = 1.495 ± 0.015 and = 1.100 ± 0.015. Further MD computations of percolation loci, for the Widom-Rowlinson (W-R) model of a partially miscible binary liquid (A-B), show the connection between the ideal gas percolation transitions and the 1st-order phase-separation transition. A phase diagram for the penetrable cohesive sphere (PCS) model of a one-component liquid-gas is then obtained by analytic transcription of the W-R model thermodynamic properties. The PCS percolation loci extend from a critical coexistence of gas plus liquid to the low-density limit ideal gas. Extended percolation loci for argon, determined from literature equation-of-state measurements exhibit similar phenomena. When percolation loci define phase bounds, the liquid phase spans the whole density range, whereas the gas phase is confined by its percolation boundary within an area of low T and p on the density surface. This is contrary to a general perception and opens a debate on the definitions of gaseous and liquid states.

ChemInform Abstract: Broad 1St Order Phase Transitions: Phase Coexistence, Unusual Hysteresis and Glasslike ′Kinetic Arrest′

AbstractReview: 25 refs.

Strain-induced formation of ultra-coherent CDW in quasi one-dimensional conductors

We have developed techniques for stretching whiskers up to 1.5–3%, including those of nanometer cross-section. An exceptionally high coherence of the CDW transport for TaS3 and NbS3 has been observed under the uniaxial strain, ε. For TaS3 samples with transverse dimensions ∼0.1–1μm for ε approaching εс the CDW coherence falls down and a new, ultra-coherent, CDW phase begins to form. At ε~εс the two phases coexist within a very narrow range δε~2×10−4. Further stretching results in a complete vanishing of the transport of the incoherent CDW. The threshold fields, Et, of the ultra-coherent CDW, as well as the dissipation, appear by an order of magnitude lower; giant negative differential resistance is observed. The narrow-band noise shows up to 10 harmonics of the fundamental frequency. RF irradiation results in complete synchronization of the CDW sliding. The CDW transformation shows features of the 1st order transition. We also report hysteresis of resistance vs. ε, from which we conclude that the transition cannot be associated with the lock-in of the CDW: the strain draws the CDW away from 4-fold commensurability with the lattice.

Bounds on universal quantum computation with perturbed two-dimensional cluster states

Motivated by the possibility of universal quantum computation under noise perturbations, we compute the phase diagram of the 2d cluster state Hamiltonian in the presence of Ising terms and magnetic fields. Unlike in previous analysis of perturbed 2d cluster states, we find strong evidence of a very well defined cluster phase, separated from a polarized phase by a line of 1st and 2nd order transitions compatible with the 3d Ising universality class and a tricritical end point. The phase boundary sets an upper bound for the amount of perturbation in the system so that its ground state is still useful for measurement-based quantum computation purposes. Moreover, we also compute the local fidelity with the unperturbed 2d cluster state. Besides a classical approximation, we determine the phase diagram by combining series expansions and variational infinite Projected entangled-Pair States (iPEPS) methods. Our work constitutes the first analysis of the non-trivial effect of few-body perturbations in the 2d cluster state, which is of relevance for experimental proposals.

On finite-temperature holographic QCD in the Veneziano limit

Abstract Holographic models in the T = 0 universality class of QCD in the limit of large number N c of colors and N f massless fermion flavors, but constant ratio x f = N f /N c, are analyzed at finite temperature. The models contain a 5-dimensional metric and two scalars, a dilaton sourcing TrF 2 and a tachyon dual to $ \overline{q}q $ . The phase structure on the T, x f plane is computed and various 1st order, 2nd order transitions and crossovers with their chiral symmetry properties are identified. For each x f , the temperature dependence of p/T 4 and the condensate $ \left\langle {\overline{q}q} \right\rangle $ is computed. In the simplest case, we find that for x f up to the critical x c ~ 4 there is a 1st order transition on which chiral symmetry is broken and the energy density jumps. In the conformal window x c < x f < 11/2, there is only a continuous crossover between two conformal phases. When approaching x c from below, x f → x c, temperature scales approach zero as specified by Miransky scaling.

Co-NQR Study on Successive Magnetic Phase under Pressure in Non-centrosymmetric CeCoGe3

We have performed Co-NQR study to clarify the complex magnetic phases in approaching to the quantum critical point (QCP). The successive transitions at TN2=12 K and TN3=8 K after the ferrimagnetic-like order at TN1=21 K in ambient pressure are confirmed by the spectral changes of Co-NQR However no critical slowing down of the nuclear spin-lattice relaxation rate 1/T1 or the nuclear spin-spin relaxation rate 1/T2 at TN2 and TN3 was observed, suggesting 1st order transitions. In applying pressure, a large spectral change of Co-NQR occurs in relatively low pressure of 0.3 Gpa. The Co-NQR spectrum becomes simple above about 0.7 GPa, consisting of the two Co sites with spectral weight ratio of 2. No successive transitions were observed in 1.5 GPa, indicating that the successive transitions are confined to relatively low pressure region. The extremely slower decrease of the sublattice magnetization than that expected in the mean field approximation is seen in 1.5 GPa.

Low temperature anomalous field effect in SrxBa1-xNb2O6 uniaxial relaxor ferroelectric seen via acoustic emission

Sr0.75Ba0.25Nb2O6 [100]-oriented uniaxial tungsten bronze relaxor crystals have been studied by means of dedicated acoustic emission during their thermal cycling in 150–300 K temperature range under dc electric field (E). A 1st order transition in a modulated incommensurate tetragonal phase has been successfully detected at Tmi = 198 K on heating and Tmi = 184 K on cooling, respectively. As field E enhances, a thermal hysteresis gradually narrows and vanishes in the critical point at Eth = 0.31 kV/cm, above which a phase transition becomes to 2nd order. The Tmi(E) dependence looks as a V-shape dip, not similar that previously has been looked as a smeared minimum between both the two polar and nonpolar tetragonal phases near Tm = 220 ÷ 230 K in the same crystals (Dul’kin et al., J Appl. Phys. 110, 044106 (2011)). Due to such a V-shape dip is characteristic for Pb-based multiaxial perovskite relaxor, a rhombohedral phase is waited to be induced by a field E in the critical point temperature range. The emergence of this rhombohedral phase as a crucial evidence of an orthorhombic phase presumably existing within the modulated incommensurate tetragonal phase in tungsten bronze SrxBa1−xNb2O6 relaxor is discussed.

Intriguing sequence of GaFeO3structures and electronic states to 70 GPa

Structural studies of the ferrimagnetic (${T}_{\mathrm{N}}$ = 200 K) Mott insulator GaFeO${}_{3}$ (SG Pc2${}_{1}n$) to 70 GPa, complemented by ${}^{57}$Fe M\"ossbauer spectroscopy and resistance (R) measurements at compression, decompression, and recompression, reveal a fascinating sequence of structures. Starting at \ensuremath{\sim}25 GPa a new structure, an orthorhombic perovskite (Pv) (SG Pbnm), is sluggishly formed followed by a volume V(P) drop of 5.4%. The complete formation of the Pv occurs at 42 GPa. In the 0--33 GPa range ${T}_{\mathrm{N}}$ reaches 300 K and R(P) decreases by one order of magnitude. At 53 GPa an isostructural transition is detected, characterized by a discontinuous drop of V(P) by \ensuremath{\sim}3%. M\"ossbauer spectra (MS) reveal a nonmagnetic component coexisting with the magnetic one at \ensuremath{\sim}60 GPa. Its abundance increases and above 77 GPa no sign of a magnetic hyperfine interaction is detected down to 5 K. Concurrently, one observes a continuous yet precipitous decrease in R(P) taking place in the 53--68 GPa range, leading to an onset of the metallic state at P = 68 GPa. These electronic/magnetic features of the high pressure (HP) Pv are consistent with a Mott transition. With pressure decrease below 50 GPa, the insulating Pv is recovered, and at \ensuremath{\sim}24 GPa a 1st-order structural transition takes place to a LiNbO${}_{3}$-type structure with SG R3c. This structure remains stable down to ambient pressure and with recompression it is stable up to 50 GPa, afterwards it transforms back to the HP Pv structure. It is noteworthy that this transition occurs at the same pressure, regardless of the preceding structures: Pbnm or R3c. The results are compared with hematite (Fe${}_{2}$O${}_{3}$, SG $R\overline{3}c$) and other ferric oxides. The mechanisms of the transitions are discussed.

How critical fluctuations influence adsorption properties of a van der Waals fluid onto a spherical colloidal particle

A recently proposed 3rd-order thermodynamic perturbation theory (TPT) is extended to its 5th-order version and non-uniform counterpart by supplementing with density functional theory (DFT) and a number of ansatzs for a bulk 2nd-order direct correlation function (DCF). Employment of the ansatzs DCF enables the resultant non-uniform formalism devoid of any adjustable parameter and free from numerically solving an Ornstein–Zernike integral equation theory. Density profiles calculated by the present non-uniform formalism for a hard core attractive Yukawa (HCAY) fluid near a spherical geometry are favorably compared with corresponding simulation data available in literature, and are more accurate than those based on a previous 3rd + 2nd-order perturbation DFT. The non-uniform 5th-order TPT is employed to investigate adsorption of the HCAY fluid onto a colloidal particle; it is disclosed that a depletion adsorption can be induced when the coexistence bulk fluid is situated in neighborhood of a critical point or near a bulk vapor–liquid coexistence gaseous phase or liquid phase density. A physical interpretation is given for such depletion adsorption and for its connection with parameters of the potential under consideration, which is ascribed to critical density fluctuations existing within a wide region of the bulk diagram. For a large spherical external potential inducing wetting transition, it is found that only round wetting transition is found instead of 1st-order pre-wetting transition in the case of a planar wall external potential, and the wetting transition temperature increases relative to that for the planar wall external potential. The present theoretical results for wetting transitions are supported by previous investigation based on thermodynamic considerations and a phenomenological Landau mean field theory, and are also in conformity with the present qualitative physical interpretation.

Transport properties near the magneto/structural transition of Tb5Si2Ge2

Abstract We report high resolution measurements of the electrical resistivity (ρ, dρ/dT) and thermopower (S, dS/dT) measurements near the magnetic and structural transition of the layered Tb5Si2Ge2 compound, which are fairly close but not fully coupled. The analysis of the transport properties confirms a split magneto/structural transition, with TS ∼ 97 K and TS ∼ 107 K for the structural transition (on cooling and heating respectively; 1st-order transition). The magnetic transition occurs only at TC ∼ 112 K and without hysteresis (2nd-order transition). The magnetic critical behavior of resistivity is analyzed, obtaining an almost classical mean field exponent (α ∼ 0.59) for T > TC. For the structural phase, and below TS, we obtain a rather different exponent (α ∼ 1.06).

Phase structure of the massive chiral Gross-Neveu model from the Hartree-Fock approach

The phase diagram of the massive chiral Gross-Neveu model (the massive Nambu--Jona-Lasinio model in $1+1$ dimensions) is constructed. In the large $N$ limit, the Hartree-Fock approach can be used. We find numerically a chiral crystal phase separated from a massive Fermi gas phase by a 1st order transition. Using perturbation theory, we also construct the critical sheet where the homogeneous phase becomes unstable in a 2nd order transition. A tricritical curve is located. The phase diagram is mapped out as a function of fermion mass, chemical potential and temperature, and compared with the one of the discrete chiral Gross-Neveu model. As a by-product, we illustrate the crystal structure of matter at zero temperature for various densities and fermion masses.

Geometry in Transition: A Model of Emergent Geometry

We study a three matrix model with global SO(3) symmetry containing at most quartic powers of the matrices. We find an exotic line of discontinuous transitions with a jump in the entropy, characteristic of a 1st order transition, yet with divergent critical fluctuations and a divergent specific heat with critical exponent alpha=1/2. The low temperature phase is a geometrical one with gauge fields fluctuating on a round sphere. As the temperature increased the sphere evaporates in a transition to a pure matrix phase with no background geometrical structure. Both the geometry and gauge fields are determined dynamically. It is not difficult to invent higher dimensional models with essentially similar phenomenology. The model presents an appealing picture of a geometrical phase emerging as the system cools and suggests a scenario for the emergence of geometry in the early Universe.