Order-by-Disorder in the XY Pyrochlore Antiferromagnet Revisited

We investigate the properties of the XY pyrochlore antiferromagnet with local planar anisotropy. We find the ground states and show that the configurational ground state entropy is subextensive. By computing the free energy due to harmonic fluctuations and by carrying out Monte Carlo simulations, we confirm earlier work indicating that the model exhibits thermal order-by-disorder leading to low temperature long-range order consisting of discrete magnetic domains. We compute the spin wave spectrum and show that thermal and quantum fluctuations select the same magnetic structure. Using Monte Carlo simulations, we find that the state selected by thermal fluctuations in this XY pyrochlore antiferromagnet can survive the addition of sufficiently weak nearest-neighbor pseudo-dipolar interactions to the spin Hamiltonian. We discuss our results in relation to the Er2Ti2O7 pyrochlore antiferromagnet.Comment: 13 pages, 6 figure

Theoretical studies of frustrated magnets with dipolar interactions

Several magnetic materials, in the first approximation, can be described by idealised theoretical models, such as classical Ising or Heisenberg spin systems, and, to some extent, such models are able to qualitatively expose many experimentally observed phenomena. But often, to account for complex behavior of magnetic matter, such models have to be refined by including more terms in Hamiltonian. The compound LiHo_xY_{1-x}F_4, by increasing concentration of nonmagnetic yttrium can be tuned from a diluted ferromagnet to a spin glass. LiHoF_4 is a good realisation of the transverse field Ising model, the simplest model exhibiting a quantum phase transition. In the pure case the magnetic behaviour of this material is well described by mean-field theory. It was believed that when diluted, LiHo_xY_{1-x}F_4 would also manifest itself as a diluted transverse field Ising model which continue to be well described by mean-field theory, and, at sufficient dilution, at zero temperature, exhibit a quantum spin-glass transition. The experimental data did not support such a scenario, and it was pointed out that, to explain physics of LiHo_xY_{1-x}F_4 in transverse magnetic field, the effect of a transverse-field-generated longitudinal random field has to be considered. We explore this idea further in local mean-field studies in which all three parameters: temperature, transverse field and concentration can be consistently surveyed, and where the transverse-field-generated longitudinal random field is explicitly present in the effective spin-1/2 Hamiltonian. We suggest other materials that are possible candidates for studying quantum criticality in the transverse field Ising model, and in the diluted case, for studying the effects of transverse and longitudinal random fields. The compounds we consider are RE(OH)_3, where RE are the rare earth ions Tb^{3+}, Dy^{3+} and Ho^{3+}. Using mean-field theory, we estimate the values of the transverse magnetic field that, at zero temperature, destroy ferromagnetic order to be B_x^c=4.35 T, B_x^c=5.03 T and B_x^c=54.81 T for Ho(OH)_3, Dy(OH)_3 and Tb(OH)_3, respectively. We confirm that Ho(OH)_3 and Tb(OH)_3, similarly to LiHoF_4, can be described by an effective spin-1/2 Hamiltonian. In the case of Dy(OH)_3 there is a possibility of a first order phase transition at transverse field close to B_x^c, and Dy(OH)_3 cannot be described by a spin-1/2 effective Hamiltonian. While diluted dipolar Ising spin glass has been studied experimentally in LiHo_xY_{1-x}F_4 and in numerical simulations, there are no studies of the Heisenberg case. Example materials that are likely candidates to be realisations of the diluted dipolar Heisenberg spin glass are (Gd_xY_{1-x})_2Ti_2O_7, (Gd_xY_{1-x})_2Sn_2O_7 and (Gd_xY_{1-x})_3Ga_5O_{12}. To stimulate interest in experimental studies of these systems we present results of Monte of Carlo simulations of the diluted dipolar Heisenberg spin glass. By performing finite-size scaling analysis of the spin-glass correlation length and the spin-glass susceptibility, we provide a compelling evidence of a thermodynamical spin-glass transition in the model. Frustrated pyrochlore magnets, depending on the character of single ion anisotropy and interplay of different types of interaction over a broad range of energy scales, exhibit a large spectrum of exotic phases and novel phenomena. The pyrochlore antiferromagnet Er_2Ti_2O_7 is characterised by a strong planar anisotropy. Experimental studies reveal that Er_2Ti_2O_7 undergoes a continuous phase transition to a long-range ordered phase with a spin configuration that, in this thesis, is referred to as the Champion-Holdsworth state. Such results are not in agreement with the theoretical prediction that the ground state of the pyrochlore easy-plane antiferromagnet with dipolar interactions complementing the nearest neighbour exchange interactions, is not the Champion-Holdsworth state but the so-called Palmer-Chalker state. On the other hand, Monte Carlo simulations of the easy-plane pyrochlore antiferromagnet indicate a thermal order-by-disorder selection of the Champion-Holdsworth state. To answer the question of whether order-by-disorder selection can be the mechanism at play in Er_2Ti_2O_7, we performed Monte Carlo simulations of the easy-plane pyrochlore antiferromagnet with weak dipolar interactions. We estimate the range strengths of the dipolar interaction such that order-by-disorder selection of the Champion-Holdsworth state is not suppressed. The estimated value of the allowed strength of the dipolar interactions indicates that the model studied is likely insufficient to explain the physics of Er_2Ti_2O_7 and other types of interactions or quantum effects should be considered

Quantized contact angles in the dewetting of a structured liquid

We investigate the dewetting of a disordered melt of diblock copolymer from an ordered residual wetting layer. In contrast to simple liquids where the wetting layer has a fixed thickness and the droplets exhibit a single unique contact angle with the substrate, we find that structured liquids of diblock copolymer exhibit a discrete series of wetting layer thicknesses each producing a different contact angle. These quantized contact angles arise because the substrate and air surfaces each induce a gradient of lamellar order in the wetting layer. The interaction between the two surface profiles creates an effective interface potential that oscillates with film thickness, thus, producing a sequence of local minimums. The wetting layer thicknesses and corresponding contact angles are a direct measure of the positions and depths of these minimums. Self-consistent field theory is shown to provide qualitative agreement with the experiment

Development of a spray-ejector condenser for the use in a negative CO2 emission gas power plant

One promising solution for developing low-emission power technologies is using gaseous fuel combustion in pure oxygen when the exhaust gas mixture is composed of H2O and CO2, and where CO2 is separated after steam condensation. The paper presents the results of computational analyses providing to the Spray-Ejector Condenser (SEC) development, which is one of the crucial components of the negative CO2 gas power plant (nCO2PP) cycle development. The proposed design of the ejector-condenser to ensure the high effectivity of vapor condensation and CO2 compression with preparation to separation, ready for application in gas power cycle, is a novelty of this research. Different computational techniques leading to the development and better understating of ejector operation were applied. The main operating conditions in the characteristic connected with the developed nCO2pp cycle points were investigated to evaluate the impact of the operating conditions on SEC performances. The amount of motive water needed for the cooling purpose is susceptible to the inlet water pressure and temperature and strongly affects the generated pressure of the suction stream. The preliminary results confirm that the SEC's basic design and geometrical dimensions can be applied in the negative CO2 power plant cycle. Results from CFD modeling give the possibility to investigate the turbulent flow of water/steam/CO2 mixture together with the condensation process occurring at this same time. It is found that the average droplet diameter and motive water supplying method significantly effects the condensation intensity. The further direction of the presented computational research activities and results is to test various designs of Spray-Ejector Condensers that will enable the evaluation of the direct contact condensation process and develop the final geometrical design. © 2023 The AuthorsDevelopment of a spray-ejector condenser for the use in a negative CO2 emission gas power plantpublishedVersio

In Vivo Assessment of Parenteral Formulations of Oligo(3-Hydroxybutyric Acid) Conjugates with the Model Compound Ibuprofen

Polymer-drug conjugates have gained significant attention as pro-drugs releasing an active substance as a result of enzymatic hydrolysis in physiological environment. In this study, a conjugate of 3-hydroxybutyric acid oligomers with a carboxylic acid group-bearing model drug (ibuprofen) was evaluated in vivo as a potential pro-drug for parenteral administration. Two different formulations, an oily solution and an o/w emulsion were prepared and administered intramuscularly (IM) to rabbits in a dose corresponding to 40 mg of ibuprofen/kilogramme. The concentration of ibuprofen in blood plasma was analysed by HPLC, following solid–phase extraction and using indometacin as internal standard (detection limit, 0.05 μg/ml). No significant differences in the pharmacokinetic parameters (Cmax, Tmax, AUC) were observed between the two tested formulations of the 3-hydroxybutyric acid conjugate. In comparison to the non-conjugated drug in oily solution, the relative bioavailability of ibuprofen conjugates from oily solution, and o/w emulsion was reduced to 17% and 10%, respectively. The 3-hydroxybutyric acid formulations released the active substance over a significantly extended period of time with ibuprofen still being detectable 24 h post-injection, whereas the free compound was almost completely eliminated as early as 6 h after administration. The conjugates remained in a muscle tissue for a prolonged time and can hence be considered as sustained release systems for carboxylic acid derivatives

Structure, stability, and reorganization of 0.5 L0 topography in block copolymer thin films

The structure, stability, and reorganization of lamella-forming block copolymer thin film surface topography (“islands” and “holes”) were studied under boundary conditions driving the formation of 0.5 L0 thick structures at short thermal annealing times. Self-consistent field theory predicts that the presence of one perfectly neutral surface renders 0.5 L0 topography thermodynamically stable relative to 1 L0 thick features, in agreement with previous experimental observations. The calculated through-film structures match cross-sectional scanning electron micrographs, collectively demonstrating the pinning of edge dislocations at the neutral surface. Remarkably, near-neutral surface compositions exhibit 0.5 L0 topography metastability upon extended thermal treatment, slowly transitioning to 1 L0 islands or holes as evidenced by optical and atomic force microscopy. Surface restructuring is rationalized by invoking commensurability effects imposed by slightly preferential surfaces. The results described herein clarify the impact of interfacial interactions on block copolymer self-assembly and solidify an understanding of 0.5 L0 topography, which is frequently used to determine neutral surface compositions of considerable importance to contemporary technological applications

Field-theoretic simulation of block copolymers at experimentally-relevant molecular weights

Field-theoretic simulation (FTS) offers an efficient means of predicting the equilibrium behavior of high-molecular-weight structured polymers, provided one is able to deal with the strong ultraviolet (UV) divergence that occurs at realistic molecular weights. Here melts of lamellar-forming diblock copolymer are studied using a Monte Carlo version (MC-FTS), where the composition field fluctuates while the pressure field follows the mean-field approximation. We are able to control the UV divergence by introducing a new effective Flory-Huggins interaction parameter, $\chi_e$, thereby permitting MC-FTS for molecular weights extending down to values characteristic of experiment. Results for the disordered-state structure function, the layer spacing and compressibility of the ordered lamellar phase, and the position of the order-disorder transition (ODT) show excellent agreement with recent particle-based simulation. Given the immense versatility of FTS, this opens up the opportunity for quantitative studies on a wide range of more complicated block copolymer systems