作者:
G. ZhangF. H. StillingerS. TorquatoDepartment of Chemistry
Department of Physics Princeton Institute for the Science and Technology of Materials and Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA
Systems of particles interacting with “stealthy” pair potentials have been shown to possess infinitely degenerate disordered hyperuniform classical ground states with novel physical properties. Previous attempts to ...
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Systems of particles interacting with “stealthy” pair potentials have been shown to possess infinitely degenerate disordered hyperuniform classical ground states with novel physical properties. Previous attempts to sample the infinitely degenerate ground states used energy minimization techniques, introducing algorithmic dependence that is artificial in nature. Recently, an ensemble theory of stealthy hyperuniform ground states was formulated to predict the structure and thermodynamics that was shown to be in excellent agreement with corresponding computer simulation results in the canonical ensemble (in the zero-temperature limit). In this paper, we provide details and justifications of the simulation procedure, which involves performing molecular dynamics simulations at sufficiently low temperatures and minimizing the energy of the snapshots for both the high-density disordered regime, where the theory applies, as well as lower densities. We also use numerical simulations to extend our study to the lower-density regime. We report results for the pair correlation functions, structure factors, and Voronoi cell statistics. In the high-density regime, we verify the theoretical ansatz that stealthy disordered ground states behave like “pseudo” disordered equilibrium hard-sphere systems in Fourier space. The pair statistics obey certain exact integral conditions with very high accuracy. These results show that as the density decreases from the high-density limit, the disordered ground states in the canonical ensemble are characterized by an increasing degree of short-range order and eventually the system undergoes a phase transition to crystalline ground states. In the crystalline regime (low densities), there exist aperiodic structures that are part of the ground-state manifold but yet are not entropically favored. We also provide numerical evidence suggesting that different forms of stealthy pair potentials produce the same ground-state ensemble in the zero-temperatur
Hospital El Salvador: a novel paradigm of intensive care in response to COVID-19 in central America. Lancet Glob Health 2021;9: e241?42?In this Comment, the conflict of interest statement should have included the foll...
Hospital El Salvador: a novel paradigm of intensive care in response to COVID-19 in central America. Lancet Glob Health 2021;9: e241?42?In this Comment, the conflict of interest statement should have included the following: ?By virtue of their roles within a public hospital or the Ministry of Health, MB, LC, WH, and XS are government employees. The findings and conclusions in the Comment are only those of the authors.? This correction has been made as of Feb 26, 2021.
Shortly after the determination of the first protein x-ray crystal structures, researchers analyzed their cores and reported packing fractions ϕ≈0.75, a value that is similar to close packing of equal-sized spheres. ...
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Shortly after the determination of the first protein x-ray crystal structures, researchers analyzed their cores and reported packing fractions ϕ≈0.75, a value that is similar to close packing of equal-sized spheres. A limitation of these analyses was the use of extended atom models, rather than the more physically accurate explicit hydrogen model. The validity of the explicit hydrogen model was proved in our previous studies by its ability to predict the side chain dihedral angle distributions observed in proteins. In contrast, the extended atom model is not able to recapitulate the side chain dihedral angle distributions, and gives rise to large atomic clashes at side chain dihedral angle combinations that are highly probable in protein crystal structures. Here, we employ the explicit hydrogen model to calculate the packing fraction of the cores of over 200 high-resolution protein structures. We find that these protein cores have ϕ≈0.56, which is similar to results obtained from simulations of random packings of individual amino acids. This result provides a deeper understanding of the physical basis of protein structure that will enable predictions of the effects of amino acid mutations to protein cores and interfaces of known structure.
Energetic electron acceleration processes in a plasma hollow tube irradiated by an ultraintense laser pulse are investigated. It is found that the longitudinal component of the laser field is much enhanced when a line...
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Energetic electron acceleration processes in a plasma hollow tube irradiated by an ultraintense laser pulse are investigated. It is found that the longitudinal component of the laser field is much enhanced when a linear polarized Gaussian laser pulse propagates through the plasma tube. This longitudinal field is of π/2 phase shift relative to the transverse electric field and has a π phase interval between its upper and lower parts. The electrons in the plasma tube are first pulled out by the transverse electric field and then trapped by the longitudinal electric field. The trapped electrons can further be accelerated to higher energy in the presence of the longitudinal electric field. This acceleration mechanism is clearly illustrated by both particle-in-cell simulations and single particle modelings.
The Cluster HEritage project with XMM-Newton - Mass Assembly and Thermodynamics at the Endpoint of structure formation (CHEX-MATE) is a three-mega-second Multi-Year Heritage programme to obtain X-ray observations of a...
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Nontrivial magnetic response of periodic structures composed of intrinsically nonmagnetic constituents is now a well-established but still intriguing phenomenon; it plays a critical role in negative refraction, cloaki...
Nontrivial magnetic response of periodic structures composed of intrinsically nonmagnetic constituents is now a well-established but still intriguing phenomenon; it plays a critical role in negative refraction, cloaking and other unusual effects. Much attention has been devoted to optimal (in some sense) design, whereby the magnetism would be enhanced and engineered to fall in a desirable range for specific applications - absorption, cloaking, lensing, etc. However, we show both analytically and numerically that this artificial magnetism has limitations: the stronger the magnetic response (as measured by the deviation of the effective permeability tensor from identity), the less accurate (“certain”) predictions of the effective medium theory are. We call this the uncertainty principle for the effective parameters of metamaterials. In practice, there is still room for engineering design, but the trade-offs between magnetic response and the accuracy of homogenization must be noted.
SummaryBackgroundAcross low-income and middle-income countries (LMICs), one in ten deaths in children younger than 5 years is attributable to diarrhoea. The substantial between-country variation in both diarrhoea inci...
SummaryBackgroundAcross low-income and middle-income countries (LMICs), one in ten deaths in children younger than 5 years is attributable to diarrhoea. The substantial between-country variation in both diarrhoea incidence and mortality is attributable to interventions that protect children, prevent infection, and treat disease. Identifying subnational regions with the highest burden and mapping associated risk factors can aid in reducing preventable childhood diarrhoea. MethodsWe used Bayesian model-based geostatistics and a geolocated dataset comprising 15 072 746 children younger than 5 years from 466 surveys in 94 LMICs, in combination with findings of the Global Burden of Diseases, Injuries, and Risk Factors Study (GBD) 2017, to estimate posterior distributions of diarrhoea prevalence, incidence, and mortality from 2000 to 2017. From these data, we estimated the burden of diarrhoea at varying subnational levels (termed units) by spatially aggregating draws, and we investigated the drivers of subnational patterns by creating aggregated risk factor estimates. FindingsThe greatest declines in diarrhoeal mortality were seen in south and southeast Asia and South America, where 54·0% (95% uncertainty interval [UI] 38·1–65·8), 17·4% (7·7–28·4), and 59·5% (34·2–86·9) of units, respectively, recorded decreases in deaths from diarrhoea greater than 10%. Although children in much of Africa remain at high risk of death due to diarrhoea, regions with the most deaths were outside Africa, with the highest mortality units located in Pakistan. Indonesia showed the greatest within-country geographical inequality; some regions had mortality rates nearly four times the average country rate. Reductions in mortality were correlated to improvements in water, sanitation, and hygiene (WASH) or reductions in child growth failure (CGF). Similarly, most high-risk areas had poor WASH, high CGF, or low oral rehydration therapy coverage. InterpretationBy co-analysing geospatial trends in dia
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