Electronic, mechanical, and thermodynamic properties of americium dioxide

By performing density functional theory (DFT) +$U$ calculations, we systematically study the electronic, mechanical, tensile, and thermodynamic properties of AmO$_{2}$. The experimentally observed antiferromagnetic insulating feature [J. Chem. Phys. 63, 3174 (1975)] is successfully reproduced. It is found that the chemical bonding character in AmO$_{2}$ is similar to that in PuO$_{2}$, with smaller charge transfer and stronger covalent interactions between americium and oxygen atoms. The valence band maximum and conduction band minimum are contributed by 2$p-5f$ hybridized and 5$f$ electronic states respectively. The elastic constants and various moduli are calculated, which show that AmO$_{2}$ is less stable against shear forces than PuO$_{2}$. The stress-strain relationship of AmO$_{2}$ is examined along the three low-index directions by employing the first-principles computational tensile test method. It is found that similar to PuO$_{2}$, the [100] and [111] directions are the strongest and weakest tensile directions, respectively, but the theoretical tensile strengths of AmO$_{2}$ are smaller than those of PuO$_{2}$. The phonon dispersion curves of AmO$_{2}$ are calculated and the heat capacities as well as lattice expansion curve are subsequently determined. The lattice thermal conductance of AmO$_{2}$ is further evaluated and compared with attainable experiments. Our present work integrally reveals various physical properties of AmO$_{2}$ and can be referenced for technological applications of AmO$_{2}$ based materials.Comment: 23 pages, 8 figure

Implementing universal nonadiabatic holonomic quantum gates with transmons

Geometric phases are well known to be noise-resilient in quantum evolutions/operations. Holonomic quantum gates provide us with a robust way towards universal quantum computation, as these quantum gates are actually induced by nonabelian geometric phases. Here we propose and elaborate how to efficiently implement universal nonadiabatic holonomic quantum gates on simpler superconducting circuits, with a single transmon serving as a qubit. In our proposal, an arbitrary single-qubit holonomic gate can be realized in a single-loop scenario, by varying the amplitudes and phase difference of two microwave fields resonantly coupled to a transmon, while nontrivial two-qubit holonomic gates may be generated with a transmission-line resonator being simultaneously coupled to the two target transmons in an effective resonant way. Moreover, our scenario may readily be scaled up to a two-dimensional lattice configuration, which is able to support large scalable quantum computation, paving the way for practically implementing universal nonadiabatic holonomic quantum computation with superconducting circuits.Comment: v3 Appendix added, v4 published version, v5 published version with correction

Phenyl N-(p-tol­yl)carbamate

The asymmetric unit of the title compound, C14H13NO2, contains two crystallographically independent mol­ecules, in which the aromatic rings are oriented at dihedral angles of 59.01 (3) and 56.98 (3)°. In the crystal structure, inter­molecular N—H⋯O hydrogen bonds link the mol­ecules into chains

(E)-2,4-Dichloro-6-{1-[(2-chloro­eth­yl)imino]­eth­yl}phenol

The title Schiff base compound, C10H10Cl3NO, was prepared by the condensation of 1-(3,5-dichloro-2-hy­droxy­phen­yl)ethanone with chloro­ethyl­amine. The imine adopts an E configuration with respect to the C=N bond. The H atom of the phenolic OH group is disordered over two positions with site occupation factors of 0.52 (7) and 0.48 (7), respectively, and the major occupancy component is involved in an intramolecular N—H⋯O hydrogen bond. The compound therefore exists in an iminium–phenolate as well as in the imino–phenol form. In the crystal, mol­ecules are connected by C—H⋯O and C—H⋯Cl hydrogen bonds and Cl⋯Cl inter­actions [3.7864 (9) Å] into a three-dimensional network. In addition, inter­molecular π–π stacking inter­actions [centroid–centroid distance = 4.4312 (9) Å] are observed

Effect of Plasma Viremia on Apoptosis and Immunophenotype of Dendritic Cells Subsets in Acute SIVmac239 Infection of Chinese Rhesus Macaques

Non-human primates such as Chinese rhesus macaques (Ch Rhs) provide good animal models for research on human infectious diseases. Similar to humans, there are two principal subsets of dendritic cells (DCs) in the peripheral blood of Ch Rhs: myeloid DCs (mDCs) and plasmacytoid DCs (pDCs). In this study, two-color fluorescence-activated cell sorting (FACS) analyses were used to identify the main DC subsets, namely CD1c+ mDCs and pDCs from Ch Rhs. Then, the apoptosis and immunophenotype changes of DCs subsets were first described during the acute phase of SIVmac239 infection. Both the DCs subsets showed decreased CD4 expression and enhanced CCR5 expression; in particular, those of pDCs significantly changed at most time points. Interestingly, the plasma viral loads were negatively correlated with CD4 expression, but were positively correlated with CCR5 expression of pDCs. During this period, both CD1c+ mDCs and pDCs were activated by enhancing expressions of co-stimulatory molecules, accompanied with increase in CCR7. Either CD80 or CD86 expressed on CD1c+ mDCs and pDCs was positively correlated with the plasma viral loads. Our analysis demonstrates that the pDCs were more prone to apoptosis after infection during the acute phase of SIVmac239 infection, which may be due to their high expressions of CD4 and CCR5. Both DCs subsets activated through elevating the expression of co-stimulatory molecules, which was beneficial in controlling the replication of SIV. However, a mere broad immune activation initiated by activated DCs may lead to tragic AIDS progression

Using Energy Conditions to Distinguish Brane Models and Study Brane Matter

Current universe (assumed here to be normal matter on the brane) is pressureless from observations. In this case the energy condition is $\rho_0\geq0$ and $p_0=0$. By using this condition, brane models can be distinguished. Then, assuming arbitrary component of matter in DGP model, we use four known energy conditions to study the matter on the brane. If there is nonnormal matter or energy (for example dark energy with $w<-1/3$) on the brane, the universe is accelerated.Comment: 5pages, no figures; Accepted by Communications in Theoretical Physic