The Structure of No_3^- in Molten Monovalent Metal Nitrates by Pulsed Neutron Diffraction(Chemistry)

The structure factor of molten monovalent metal nitrates was measured over a wide range of scattering vectors by time-of-flight pulsed neutron diffraction using epithermal neutrons generated from an electron LINAC. It is found that the NO_3^- ion forms an isosceles triangle in molten LiNO_3, AgNO_3 and TINO_3, and a regular triangle in molten NaNO_3, KNO_3, RbNO_3 and CsNO_3

A Comment on Short-Range Structure of Vitreous As_2Se_3 Observed in High Momentum Transfer Region

The short-range structure of vitreous As_2Se_3 was investigated by the measurement of interference function in high momentum transfer region with a pulsed neutron diffractometer combined with an electron linac

Structure of Liquid Gallium and Rubidium by Pulsed Neutron Diffraction Using Electron Linac(Physics)

The static structure factors of liquid gallium and rubidium were measured at several temperatures above their melting points using the time of flight neutron diffractometer installed on the 300 MeV Tohoku University electron linac as a pulsed neutron source. The characteristic oscillation of the structure factor of liquid gallium in a high momentum transfer region has been shown to be well understood in terms of a diatomic molecule-like atomic association with the bond length of 2.69A. It has been discussed, however, that the subsidiary maximum on the high momentum transfer side of the first peak in the structure factor of liquid gallium may appear due to the second and subsequent peaks in the pair correlation function to shift to a larger distance in comparison with those of simple liquid metals such as alkali metals

Energy redistribution and spatio-temporal evolution of correlations after a sudden quench of the Bose-Hubbard model

An optical-lattice quantum simulator is an ideal experimental platform to investigate non-equilibrium dynamics of a quantum many-body system, which is in general hard to simulate with classical computers. Here, we use our quantum simulator of the Bose-Hubbard model to study dynamics far from equilibrium after a quantum quench. We successfully confirm the energy conservation law in the one- and three-dimensional systems and extract the propagation velocity of the single-particle correlation in the one- and two-dimensional systems. We corroborate the validity of our quantum simulator through quantitative comparisons between the experiments and the exact numerical calculations in one dimension. In the computationally hard cases of two or three dimensions, by using the quantum-simulation results as references, we examine the performance of a numerical method, namely the truncated Wigner approximation, revealing its usefulness and limitation. This work constitutes an exemplary case for the usage of analog quantum simulators.Comment: 16 pages, 11 figures (the Supplementary Materials included

Energy redistribution and spatiotemporal evolution of correlations after a sudden quench of the Bose-Hubbard model

非局所相関の伝搬の観測とエネルギー保存則の検証に成功 --冷却原子を用いた量子多体ダイナミクスの量子シミュレーション--. 京都大学プレスリリース. 2020-10-09.An optical lattice quantum simulator is an ideal experimental platform to investigate nonequilibrium dynamics of a quantum many-body system, which is, in general, hard to simulate with classical computers. Here, we use our quantum simulator of the Bose-Hubbard model to study dynamics far from equilibrium after a quantum quench. We successfully confirm the energy conservation law in the one- and three-dimensional systems and extract the propagation velocity of the single-particle correlation in the one- and two-dimensional systems. We corroborate the validity of our quantum simulator through quantitative comparisons between the experiments and the exact numerical calculations in one dimension. In the computationally hard cases of two or three dimensions, by using the quantum-simulation results as references, we examine the performance of a numerical method, namely, the truncated Wigner approximation, revealing its usefulness and limitation. This work constitutes an exemplary case for the usage of analog quantum simulators

FOREVER22: the first bright galaxies with population III stars at redshifts z≃10−20z \simeq 10-20 and comparisons with JWST data

We study the formation of the first galaxies in overdense regions modelled by the FORmation and EVolution of galaxies in Extremely overdense Regions motivated by SSA22 (FOREVER22) simulation project. Our simulations successfully reproduce the star formation rates and the $M_{\rm UV}-M_{\rm star}$ relations of candidate galaxies at $z \sim 10-14$ observed by the James Webb Space Telescope (JWST). We suggest that the observed galaxies are hosted by dark-matter haloes with $M_{\rm h} \gtrsim 10^{10}~{\rm M_{\odot}}$ and are in short-period starburst phases. On the other hand, even simulated massive galaxies in overdense regions cannot reproduce the intense star formation rates and the large stellar masses of observed candidates at $z \sim 16$. Also, we show that the contribution of population III stars to the UV flux decreases as the stellar mass increases and it is a few percent for galaxies with $M_{\rm star} \sim 10^{7}~{\rm M_{\odot}}$. Therefore, a part of the observed flux by JWST could be the light from population III stars. Our simulations suggest that the UV flux can be dominated by population III stars and the UV-slope shows $\beta \lesssim -3$ if future observations would reach galaxies with $M_{\rm stars} \sim 10^{5}~{\rm M_{\odot}}$ at $z \sim 20$ of which the mass fraction of population III stars can be greater than 10 percent.Comment: 9 pages, 6 figures, accepted for publication in MNRA

Experimental Determination of Bose-Hubbard Energies

We present the first experimental measurement of the ensemble averages of both the kinetic and interaction energies of the three-dimensional Bose--Hubbard model at finite temperature and various optical lattice depths across weakly to strongly interacting regimes, for an almost unit filling factor. The kinetic energy is obtained through Fourier transformation of a time-of-flight signal, and the interaction energy is measured using a newly developed atom-number-projection spectroscopy technique, by exploiting an ultra-narrow optical transition of two-electron atoms. The obtained experimental results can be used as benchmarks for state-of-the-art numerical methods of quantum many-body theory. As an illustrative example, we compare the measured energies with numerical calculations involving the Gutzwiller and cluster-Gutzwiller approximations, assuming realistic trap potentials and particle numbers at nonzero entropy (finite temperature); we obtain good agreement without fitting parameters. We also discuss the possible application of this method to temperature estimations for atoms in optical lattices using the thermodynamic relation. This study offers a unique advantage of cold atom system for `quantum simulators', because, to the best of our knowledge, it is the first experimental determination of both the kinetic and interaction energies of quantum many-body system.Comment: 22 pages, 20 figure

Porous honeycomb self-assembled monolayers : tripodal adsorption and hidden chirality of carboxylate anchored triptycenes on Ag

S.D. and M.Z thank the Helmholtz Zentrum Berlin for the allocation of synchrotron radiation beamtime at BESSY II and financial support. The work was financially supported by the German Research Foundation (Deutsche Forschungsgemeinschaft; DFG) via grant ZH 63/39-1 (S.D. and M.Z.), EPSRC (doctoral training grant, R.O.d.l.M.), and CREST (Japan Science and Technology Agency; JST) via grant JPMJCR18I4 (T.F.) and also supported in part by “Dynamic Alliance for Open Innovation Bridging Human, Environment and Materials” from MEXT, Japan. The authors acknowledge financial support through the Austrian Science Fund (FWF): P28051-N36.Molecules with tripodal anchoring to substrates represent a versatile platform for the fabrication of robust self-assembled monolayers (SAMs), complementing the conventional monopodal approach. In this context, we studied the adsorption of 1,8,13-tricarboxytriptycene (Trip-CA) on Ag(111), mimicked by a bilayer of silver atoms underpotentially deposited on Au. While tripodal SAMs frequently suffer from poor structural quality and inhomogeneous bonding configurations, the triptycene scaffold featuring three carboxylic acid anchoring groups yields highly crystalline SAM structures. A pronounced polymorphism is observed, with the formation of distinctly different structures depending on preparation conditions. Besides hexagonal molecular arrangements, the occurrence of a honeycomb structure is particularly intriguing as such an open structure is unusual for SAMs consisting of upright-standing molecules. Advanced spectroscopic tools reveal an equivalent bonding of all carboxylic acid anchoring groups. Notably, density functional theory calculations predict a chiral arrangement of the molecules in the honeycomb network, which, surprisingly, is not apparent in experimental scanning tunneling microscopy (STM) images. This seeming discrepancy between theory and experiment can be resolved by considering the details of the actual electronic structure of the adsorbate layer. The presented results represent an exemplary showcase for the intricacy of interpreting STM images of complex molecular films. They are also further evidence for the potential of triptycenes as basic building blocks for generating well-defined layers with unusual structural motifs.Publisher PDFPeer reviewe

Induced-fit expansion and contraction of a self-assembled nanocube finely responding to neutral and anionic guests

Induced-fit or conformational selection is of profound significance in biological regulation. Biological receptors alter their conformation to respond to the shape and electrostatic surfaces of guest molecules. Here we report a water-soluble artificial molecular host that can sensitively respond to the size, shape, and charged state of guest molecules. The molecular host, i.e. nanocube, is an assembled structure consisting of six gear-shaped amphiphiles (GSAs). This nanocube can expand or contract its size upon the encapsulation of neutral and anionic guest molecules with a volume ranging from 74 to 535 Å3 by induced-fit. The responding property of this nanocube, reminiscent of a feature of biological molecules, arises from the fact that the GSAs in the nanocubes are connected to each other only through the hydrophobic effect and very weak intermolecular interactions such as van der Waals and cation-π interactions

Review : The Discovery of the Widespread Microsatellite Instability Phenotype and Distinction of the Mutator and Suppressor Pathways for Gastrointestinal Cancer

This short review summarizes the molecular genetics of gastrointestinal cancer. The first part describes the serendipitous discovery of the widespread microsatellite instability (MSI) phenotype in 1993 during the analysis of gene-tic alterations in colorectal cancer progression by unbiased arbitrarily primed PCR (AP-PCR) DNA fingerprinting. The concept of ubiquitous mutations in simple repeated sequences is explained in this context. We also describe criteria for the distinction between true genomic instability versus sporadic alterations in microsatellite sequences due to the high background mutation rate of these unstable sequences, which become detectable in tumors because of their clonality. In the second part, we describe the molecular features that distinguish two pathways for gastrointestinal cancer, the suppressor and the mutator pathways. The model of the mutator that mutates other mutators is also discussed. As an illustrative example of the distinctive features in the genotype of tumors from the two pathways, the results of analysis of targeted mutations in the pro-apoptotic gene Box are described in some de-tail