A numerical scheme for the ground state of rotating spin-1 Bose-Einstein condensates.

We study the existence of nontrivial solution branches of three-coupled Gross-Pitaevskii equations (CGPEs), which are used as the mathematical model for rotating spin-1 Bose-Einstein condensates (BEC). The Lyapunov-Schmidt reduction is exploited to test the branching of nontrivial solution curves from the trivial one in some neighborhoods of bifurcation points. A multilevel continuation method is proposed for computing the ground state solution of rotating spin-1 BEC. By properly choosing the constraint conditions associated with the components of the parameter variable, the proposed algorithm can effectively compute the ground states of spin-1 [Formula: see text] and [Formula: see text] under rapid rotation. Extensive numerical results demonstrate the efficiency of the proposed algorithm. In particular, the affect of the magnetization on the CGPEs is investigated.

Turbulence in a matter-wave supersolid.

Quantum turbulence associated with wave and vortex dynamics is numerically investigated for a two-dimensional trapped atomic Rydberg-dressed Bose-Einstein condensate (BEC). When the coupling constant of the soft-core interaction is over a critical value, the superfluid (SF) system can transition into a hexagonal supersolid (SS) state. Based on the Gross-Pitaevskii equation approach, we have discovered a new characteristic k-13/3 scaling law for wave turbulence in the SS state, that coexists with the waveaction k-1/3 and energy k-1 cascades commonly existing in a SF BEC. The new k-13/3 scaling law implies that the SS system exhibits a negative, minus-one power energy dispersion (E ~ k-1) at the wavevector consistent with the radius of the SS droplet. For vortex turbulence, in addition to the presence of the Kolmogorov energy k-5/3 and Saffman enstrophy k-4 cascades, it is found that large amount of independent vortices and antivortices pinned to the interior of the oscillating SS results in a strong k-1 scaling at the wavevector consistent with the SS lattice constant.

PBPK Modeling of the Effect of Reduced Kidney Function on the Pharmacokinetics of Drugs Excreted Renally by Organic Anion Transporters.

Altered pharmacokinetics (PK) in subjects with chronic kidney disease (CKD) may lead to dosing adjustment of certain drugs in subjects with CKD. It can be valuable to quantitatively predict PK in CKD for the management of drug dosing in these subjects. We developed physiologically based pharmacokinetic (PBPK) models of seven renally eliminated drugs: adefovir, avibactam, entecavir, famotidine, ganciclovir, oseltamivir carboxylate, and sitagliptin. These drugs are all substrates of renal organic anion transporters (OATs). Drug models verified using PK data from healthy subjects (HS) were coupled with physiological models representing CKD that incorporated prior knowledge of effects of CKD on hepatic and renal elimination. The models reasonably described clinically observed PK changes in subjects with CKD (compared to subjects with normal renal function), with predicted AUC changes within 50% of the observed changes. PBPK models can be used to prospectively predict PK of renally eliminated OAT substrates in subjects with CKD.

Metabolomic and Genome-wide Association Studies Reveal Potential Endogenous Biomarkers for OATP1B1.

Transporter-mediated drug-drug interactions (DDIs) are a major cause of drug toxicities. Using published genome-wide association studies (GWAS) of the human metabolome, we identified 20 metabolites associated with genetic variants in organic anion transporter, OATP1B1 (P < 5 × 10-8 ). Of these, 12 metabolites were significantly higher in plasma samples from volunteers dosed with the OATP1B1 inhibitor, cyclosporine (CSA) vs. placebo (q-value < 0.2). Conjugated bile acids and fatty acid dicarboxylates were among the metabolites discovered using both GWAS and CSA administration. In vitro studies confirmed tetradecanedioate (TDA) and hexadecanedioate (HDA) were novel substrates of OATP1B1 as well as OAT1 and OAT3. This study highlights the use of multiple datasets for the discovery of endogenous metabolites that represent potential in vivo biomarkers for transporter-mediated DDIs. Future studies are needed to determine whether these metabolites can serve as qualified biomarkers for organic anion transporters. Quantitative relationships between metabolite levels and modulation of transporters should be established.

Designing a stronger interface through graded structures in amorphous/nanocrystalline ZrCu/Cu multilayered films.

Many multilayered nano-structures appear to fail due to brittle matter along the interfaces. In order to toughen them, in this study, the microstructure and interface strength of multilayered thin films consisting of amorphous ZrCu and nanocrystalline Cu (with sharp or graded interfaces) are examined and analyzed. The interface possesses a gradient nature in terms of composition, nanocrystalline phase size and volume fraction. The bending results extracted from the nano-scaled cantilever bending samples demonstrate that multilayered films with graded interfaces would have a much higher interface bending strength/strain/modulus, and an overall improvement upgrade of more than 50%. The simple graded interface design of multilayered thin films with improved mechanical properties can offer much more promising performance in structural and functional applications for MEMS or optical coating.

Piston-on-three-ball versus piston-on-ring in evaluating the biaxial strength of dental ceramics.

OBJECTIVES: Piston-on-three-ball tests have been selected by the International Organization for Standardization to establish ISO 6872 for the evaluation of the biaxial strength of dentistry-ceramic materials. However, the formula adopted in ISO 6872 for the fracture load-biaxial strength relationship was an approximate equation originally derived for piston-on-ring tests of monolayered discs. This formula was modified and extended to the case of multilayered discs subjected to piston-on-ring loadings recently. The purpose of the present study is to evaluate the adequacy of applying the formula for piston-on-ring to piston-on-three-ball tests for both monolayered and multilayered discs. METHODS: Finite element analyses were performed to simulate both piston-on-three-ball and piston-on-ring tests. Different degrees of friction between the specimen supporting surface and the loading fixture were considered in the simulations. The simulated biaxial stress distributions through the disc thickness for both tests were then compared to the formula to examine how the predictions agree. RESULTS: Examples of monolayered, bilayered and trilayered discs subjected to piston-on-three-ball and piston-on-ring loadings were simulated for comparison with the formulae. The results depended on friction when the disc was supported by a ring, however the results became insensitive to friction when the disc was supported by three balls. For the frictionless contact, both loading tests yield almost the identical biaxial stress distribution through the disc thickness and agree well with the formula. On the other hand, the maximum tensile stress on the surface of the disc decreased when the friction increased. As a result the biaxial tensile strength was overestimated for piston-on-ring tests if friction was neglected. SIGNIFICANCE: The results of our finite element analyses demonstrate how the friction between the specimen supporting surface and the loading fixture affects the biaxial strength evaluation in piston-on-ring and piston-on-three-ball tests. It is critical to have frictionless contact between the disc and the supporting ring when evaluating the biaxial strength by piston-on-ring tests. Otherwise, the application of the approximate formula, which was derived for piston-on-ring, to piston-on-three-ball is even better than piston-on-ring. This is true for not only monolayered discs but also multilayered discs.

Simple solutions of multilayered discs subjected to biaxial moment loading.

OBJECTIVES: The purpose of this study was to derive a simple closed-form solution for the stress distribution through the thickness of multilayered discs subjected to biaxial moment loading, such that it can be used readily to evaluate the biaxial strength of multilayered dental ceramics using biaxial flexure tests. METHODS: A simple analytical model was developed to derive the stress distribution through the thickness of multilayered discs subjected to biaxial moment loading. The accuracy of the solution was verified by comparing with previous rigorous analytical solutions and finite element results. The results obtained from Roark's formulas for bilayered discs were also included for comparison. RESULTS: Examples of porcelain/zirconia bilayered discs subjected to ring-on-ring and piston-on-ring loadings were used for comparison among different analyses. Despite the simplicity in deriving the present solution, it is sufficiently accurate in comparing with previous rigorous solutions and finite element results. Also, if the biaxial stresses on the top and the bottom surfaces of the disc can be measured during testing, the biaxial stress/strain through the entire thickness of the multilayered disc can be determined using equations derived in the present model. SIGNIFICANCE: International Organization for Standardization has selected piston-on-three-ball tests to establish ISO 6872 for dentistry-ceramic materials. However, monolayered specimens are considered in tests for this standard. While dental materials are usually fabricated into layered structures, modification of the current standard is essential. Our simple closed-form solution serves as a basis for extending the current standard to multilayered systems.

Analyses of layer-thickness effects in bilayered dental ceramics subjected to thermal stresses and ring-on-ring tests.

OBJECTIVES: The purpose of this study was to analyze the stress distribution through the thickness of bilayered dental ceramics subjected to both thermal stresses and ring-on-ring tests and to systematically examine how the individual layer thickness influences this stress distribution and the failure origin. METHODS: Ring-on-ring tests were performed on In-Ceram Alumina/Vitadur Alpha porcelain bilayered disks with porcelain in the tensile side, and In-Ceram Alumina to porcelain layer thickness ratios of 1:2, 1:1, and 2:1 were used to characterize whether failure originated at the surface or the interface. Based on (1) the thermomechanical properties and thickness of each layer, (2) the difference between the test temperature and the glass transition temperature, and (3) the ring-on-ring loading configuration, the stress distribution through the thickness of the bilayer was calculated using closed-form solutions. Finite element analyses were also performed to verify the analytical results. RESULTS: The calculated stress distributions showed that the location of maximum tension during testing shifted from the porcelain surface to the In-Ceram Alumina/porcelain interface when the relative layer thickness ratio changed from 1:2 to 1:1 and to 2:1. This trend is in agreement with the experimental observations of the failure origins. SIGNIFICANCE: For bilayered dental ceramics subjected to ring-on-ring tests, the location of maximum tension can shift from the surface to the interface depending upon the layer thickness ratio. The closed-form solutions for bilayers subjected to both thermal stresses and ring-on-ring tests allow the biaxial strength of the bilayer to be evaluated.

Appraisal of formulas for stresses in bilayered dental ceramics subjected to biaxial moment loading.

OBJECTIVES: The purpose of this study was to compare three existing sets of formulas predicting stresses in a thin circular plate subjected to biaxial moment loading, such that limitations for each set of formulas could be understood. These formulas include American Society for Testing and Materials (ASTM) formulas for monolayered plates, Roark's formulas for bilayered plates, and Hsueh et al.'s formulas for multilayered plates. METHODS: The three sets of formulas were summarized and appraised. Biaxial moment loading is generally achieved using biaxial flexure tests, and the plate is placed on a support ring and loaded in the central region. While both ASTM and Hsueh et al.'s formulas predict stresses through the thickness of the plate, Roark's formulas predict stresses only on the top and the bottom surfaces of the plate. Also, a simply supported plate at its edge is considered in Roark's formulas. We modified Roark's formulas to include the overhang region of the plate to more closely simulate the actual loading configuration. Then, the accuracy of formulas was examined by comparing with finite element results of monolayered and bilayered plates subjected to ring-on-ring loading. RESULTS: Monolayer is a special case of bilayer, and both monolayer and bilayer are special cases of multilayer. For monolayered plates, ASTM and Hsueh et al.'s formulas are identical, and both are in excellent agreement with finite element results. For bilayered plates, Hsueh et al.'s formulas are in excellent agreement with finite element results. For both monolayered and bilayered plates, Roark's formulas deviate from finite element results while the modified Roark's formulas are accurate. CONCLUSIONS: Roark's formulas for evaluating the biaxial strength of bilayered dental ceramics will result in errors in predicted stresses which depend on the size of the overhang region of the plate in the actual loading configuration. Also, Roark's formulas are limited to predicting stresses on the top and the bottom surfaces of the plate. On the other hand, Hsueh et al.'s formulas are for multilayered plates and predict stresses through the plate thickness.