Search results for "Transition point"
showing 10 items of 26 documents
Single Enantiomer’s Urge to Crystallize in Centrosymmetric Space Groups: Solid Solutions of Phenylpiracetam
2017
A detailed thermochemical and structural study of the phenylpiracetam enantiomer system was performed by characterizing the solid solutions, rationalizing the structural driving force for their formation, as well as identifying a common structural origin responsible for the formation of solid solutions of enantiomers. Enantiomerically pure phenylpiracetam forms two enantiotropically related polymorphs (enant–A and enant–B). The transition point (70(7) °C) was determined based on isobaric heat capacity measurements. Structural studies revealed that enant–A and enant–B crystallize in space groups P1 (Z′ = 4) and P212121 (Z′ = 2), respectively. However, pseudoinversion centers were present res…
In-Vivo Estimation and Repeatability of Force-Length Relationship and Stiffness of the Human Achilles Tendon using Phase Contrast MRI
2008
Purpose To devise a method using velocity encoded phase contrast MRI and MR-compatible dynamometry, for in vivo estimation of elastic properties of the human Achilles tendon and to assess within-session and day-to-day repeatability of this technique. Materials and Methods Achilles tendon force and calcaneus-movement-adjusted displacement were measured during a submaximal isometric plantarflexion in 4 healthy subjects, four repeated trials each. The measured force-length (F-L) relationship was least-squares fitted to a cubic polynomial. Typical error was calculated for tendon displacement at multiple force levels, stiffness from the “linear region,” and transition point from the displacement…
Shock control bump design optimization on natural laminar aerofoil
2011
The chapter investigates Shock Control Bumps (SCB) on a Natural Laminar Flow (NLF) aerofoil; RAE 5243 for Active Flow Control (AFC). A SCB approach is used to decelerate supersonic flow on the suction/pressure sides of transonic aerofoil that leads delaying shock occurrence or weakening of shock strength. Such an AFC technique reduces significantly the total drag at transonic speeds. This chapter considers the SCB shape design optimisation at two boundary layer transition positions (0 and 45%) using an Euler software coupled with viscous boundary layer effects and robust Evolutionary Algorithms (EAs). The optimisation method is based on a canonical Evolution Strategy (ES) algorithm and inco…
Canonical versus microcanonical analysis of first-order phase transitions
1998
Abstract I discuss the relation between canonical and microcanonical analyses of first-order phase transitions. In particular it is shown that the microcanonical Maxwell construction is equivalent to the equal-peak-height criterion often employed in canonical simulations. As a consequence the microcanonical finite-size estimators for the transition point, latent heat and interface tension are identical to standard estimators in the canonical ensemble. Special emphasis is placed on various ways for estimating interface tensions. The theoretical considerations are illustrated with numerical data for the two-dimensional 10-state Potts model.
Flat-band superconductivity in periodically strained graphene: mean-field and Berezinskii–Kosterlitz–Thouless transition
2019
In the search of high-temperature superconductivity one option is to focus on increasing the density of electronic states. Here we study both the normal and $s$-wave superconducting state properties of periodically strained graphene, which exhibits approximate flat bands with a high density of states, with the flatness tunable by the strain profile. We generalize earlier results regarding a one-dimensional harmonic strain to arbitrary periodic strain fields, and further extend the results by calculating the superfluid weight and the Berezinskii-Kosterlitz-Thouless (BKT) transition temperature $T_\text{BKT}$ to determine the true transition point. By numerically solving the self-consistency …
Monte Carlo study of cluster-diameter distribution: An observable to estimate correlation lengths
1997
We report numerical simulations of two-dimensional $q$-state Potts models with emphasis on a new quantity for the computation of spatial correlation lengths. This quantity is the cluster-diameter distribution function $G_{diam}(x)$, which measures the distribution of the diameter of stochastically defined cluster. Theoretically it is predicted to fall off exponentially for large diameter $x$, $G_{diam} \propto \exp(-x/\xi)$, where $\xi$ is the correlation length as usually defined through the large-distance behavior of two-point correlation functions. The results of our extensive Monte Carlo study in the disordered phase of the models with $q=10$, 15, and $20$ on large square lattices of si…
Topochemical Reactions of Monomers with Conjugated Triple-Bonds VII Mechanism of Transition from Monomer to Polymer Phase During Solid-State Polymeri…
1972
The lattice-controlled solid-state polymerisation of three different modifications of 2,4-hexadiin-1,6-diol-bis(phenylurethane) was investigated by X-ray and optical methods. The polymerisation is a homogeneous reaction. The polymer grows in the form of single chains within the crystal of the monomer. The chains extend along a definite crystallographic direction. Monomer and polymer are isomorphous and monomer-polymer single crystals of various compositions are obtained up to a quantitative conversion in the case of modification I or III. Phase separation into a mesomorphic polymer and oriented monomer phase was observed on annealing partially polymerised single-crystals of modification II …
Phase transition in NaSn2(PO4)3 and thermal expansion of NaMIV2 (PO43; MIV = Ti, Sn, Zr
1991
Abstract NaSn2(PO4)3 presents a fast and reversible second order phase transition about 575°C. Both phases above and below the transition point are rhombohedral. The high temperature phase is isostructural with NaTi2(PO4)3 and NaZr2(PO4)3, NZP structure. The lattice thermal expansion of these three compounds has been determined from x-ray diffraction data at different temperatures ranging from room temperature up to 1000°C. Differences in behaviour are discussed in relation to the structure.
Mechanisms at structural phase transitions
2007
Abstract Structural phase transitions in crystalline solids are accompanied with the change of symmetry. After EHRENFEST [Ehrenfest, P., Phasenumwandlungen im ublichen und erweiterten Sinn, klassifiziert nach den entsprechenden Singularitaten des thermodynamischen Potentials. Proc. Kon., Amsterdam Acad., 1933, 36(Suppl 75b), 153–157] they can be distinguished between first and second order transitions. Two examples for first and second order transitions will be discussed in order two elaborate the characteristic features. The statements are verified by diffraction experiments; the second order transitions will be discussed on the basis of the LANDAU [Landau, L. and Lifshitz, E.M., Lehrbuch …
DC electrical resistivity of Nb-Doped BaTiO3 and EPR measurements
1992
DC electrical resistivity measurements along the c-axis of Nb-doped BaTiO3 single crystals are presented in a wide range of temperature, covering the four phases, with special attention to the rhomboedral one. The temperature dependence of the conductivity leads to convincing arguments in favour of a polaronic mechanism. Below the orthorhombic-rhomboedral transition point, a strong increase of the resistivity is observed. The correlation of this behavior with EPR analysis in the same temperature range, is consistent with a sharp trapping of the ''free'' electrons, when the temperature decreases.