Transient distributions of composition and temperature in a gas-solid packed bed reactor by near-infrared tomography

Near-infrared diffuse tomography was used in order to observe dynamic behaviour of flowing gases by measuring the 3D distributions of composition and temperature in a weakly scattering packed bed reactor, subject to wall effects and non-isothermal conditions. The technique was applied to the vapour phase hydrogen isotopic exchange reaction in a hydrophobic packing of low aspect ratio made of platinum on styrene divinyl benzene sulphonate copolymer resin. The results of tomography revealed uneven temperature and composition maps of water and deuterated water vapours in the core-packed bed and in the vicinity of the wall owing to flow maldistribution. The dynamic lag between the near-wall water vapour and deuterated water vapour compositions were observed suggesting that the convective transfer which was significant near the wall at the start, owing to high porosity, was also effective at large conversions. (C) 2012 Elsevier B.V. All rights reserved.

Analytical approximations to numerical solutions of theoretical emission measure distributions

Emission line fluxes from cool stars are widely used to establish an apparent emission measure distribution, EmdApp(Te), between temperatures characteristic of the low transition region and the low corona. The true emission measure distribution, EmdTrue(Te), is determined by the energy balance and geometry adopted and, with a numerical model, can be used to predict EmdApp(Te), to guide further modelling. The scaling laws that exist between coronal parameters arise from the dimensions of the terms in the energy balance equation. Here, analytical approximations to numerical solutions for EmdTrue(Te) are presented, which show how the constants in the coronal scaling laws are determined. The apparent emission measure distributions show a minimum value at some T0 and a maximum at the mean coronal temperature Tc (although in some stars, emission from active regions can contribute). It is shown that, for the energy balance and geometry adopted, the analytical values of the emission measure and electron pressure at T0 and Tc depend on only three parameters: the stellar surface gravity and the values of T0 and Tc. The results are tested against full numerical solutions for e Eri (K2 V) and are applied to Procyon (a CMi, F5 IV/V). The analytical approximations can be used to restrict the required range of full numerical solutions, to check the assumed geometry and to show where the adopted energy balance may not be appropriate. © 2011 The Authors Monthly Notices of the Royal Astronomical Society © 2011 RAS.

Using sketch-map coordinates to analyze and bias molecular dynamics simulations

When examining complex problems, such as the folding of proteins, coarse grained descriptions of the system drive our investigation and help us to rationalize the results. Oftentimes collective variables (CVs), derived through some chemical intuition about the process of interest, serve this purpose. Because finding these CVs is the most difficult part of any investigation, we recently developed a dimensionality reduction algorithm, sketch-map, that can be used to build a low-dimensional map of a phase space of high-dimensionality. In this paper we discuss how these machine-generated CVs can be used to accelerate the exploration of phase space and to reconstruct free-energy landscapes. To do so, we develop a formalism in which high-dimensional configurations are no longer represented by low-dimensional position vectors. Instead, for each configuration we calculate a probability distribution, which has a domain that encompasses the entirety of the low-dimensional space. To construct a biasing potential, we exploit an analogy with metadynamics and use the trajectory to adaptively construct a repulsive, history-dependent bias from the distributions that correspond to the previously visited configurations. This potential forces the system to explore more of phase space by making it desirable to adopt configurations whose distributions do not overlap with the bias. We apply this algorithm to a small model protein and succeed in reproducing the free-energy surface that we obtain from a parallel tempering calculation.

Serial chimerism analyses indicate that mixed haemopoietic chimerism influences the probability of graft rejection and disease recurrence following allogeneic stem cell transplantation (SCT) for severe aplastic anaemia (SAA): indication for routine assessment of chimerism post SCT for SAA

Ninety-one patients were studied serially for chimeric status following allogeneic stem cell transplantation (SCT) for severe aplastic anaemia (SAA) or Fanconi Anaemia (FA). Short tandem repeat polymerase chain reaction (STR-PCR) was used to stratify patients into five groups: (A) complete donor chimeras (n = 39), (B) transient mixed chimeras (n = 15) (C) stable mixed chimeras (n = 18), (D) progressive mixed chimeras (n = 14) (E) recipient chimeras with early graft rejection (n = 5). As serial sampling was not possible in Group E, serial chimerism results for 86 patients were available for analysis. The following factors were analysed for association with chimeric status: age, sex match, donor type, aetiology of aplasia, source of stem cells, number of cells engrafted, conditioning regimen, graft-versus-host disease (GvHD) prophylaxis, occurrence of acute and chronic GvHD and survival. Progressive mixed chimeras (PMCs) were at high risk of late graft rejection (n = 10, P <0.0001). Seven of these patients lost their graft during withdrawal of immunosuppressive therapy. STR-PCR indicated an inverse correlation between detection of recipient cells post-SCT and occurrence of acute GvHD (P = 0.008). PMC was a bad prognostic indicator of survival (P = 0.003). Monitoring of chimeric status during cyclosporin withdrawal may facilitate therapeutic intervention to prevent late graft rejection in patients transplanted for SAA.

Middle Stone Age (MSA) site distributions in eastern Africa and their relationship to Quaternary environmental change, refugia and the evolution of Homo sapiens

This paper considers the evolution of Homo sapiens in eastern Africa in relation to refugia and bottlenecks around ~200 ka BP, at a macro scale. Middle Stone Age (MSA) lithics, site distributions and locations are analysed in relation to palaeovegetation maps of the last glacial/interglacial cycle, which are used as a proxy for earlier climate cycles. A ‘‘push and pull’’ model is then postulated for the spread of Homo sapiens out of refugia in eastern Africa, involving both volcanism (push) and habitat availability (pull). A date within OIS 5 is suggested for this expansion to other parts of the continent, and potentially further a?eld, contrary to a frequently proposed expansion within OIS 3. ©2008 Elsevier Ltd. All rights reserved.

Ion-acoustic supersolitons in plasmas with two-temperature electrons: Boltzmann and kappa distributions

Acoustic supersolitons arise when a plasma model is able to support three consecutive local extrema of the Sagdeev pseudopotential between the undisturbed conditions and an accessible root. This leads to a characteristic electric field signature, where a simple bipolar shape is enriched by subsidiary maxima. Large-amplitude nonlinear acoustic modes are investigated, using a pseudopotential approach, for plasmas containing two-temperature electrons having Boltzmann or kappa distributions, in the presence of cold fluid ions. The existence domains for positive supersolitons are derived in a methodological way, both for structure velocities and amplitudes, in terms of plasma compositional parameters. In addition, typical pseudopotentials, soliton, and electric field profiles have been given to illustrate that positive supersolitons can be found in the whole range of electron distributions from Maxwellian to a very hard nonthermal spectrum in kappa. However, it is found that the parameter ranges that support supersolitons vary significantly over the wide range of kappa considered. VC 2013 AIP Publishing LLC. [http://dx.doi.org/10.1063/1.4818888]

Direct Photodetachment of F‾ by mid-infrared few-cycle femtosecond laser pulses

The recent adiabatic saddle-point approach of Shearer et al. [ Phys. Rev. A 84 033409 (2011)] is extended to multiphoton detachment of negative ions with outer p-state electrons. This theory is applied to investigate the strong-field photodetachment dynamics of F- ions exposed to few-cycle femtosecond laser pulses, without taking into account the rescattering mechanism. Numerical calculations are considered for mid-infrared laser wavelengths of 1300 and 1800 nm at laser intensities of 7.7 × 1012, 1.1 × 1013, and 1.3 × 1013 W/cm2. Two-dimensional momenta saddle-point spectra exhibit a distinct distribution in the shape of a “smile” in the complex-time plane. Electron momentum distribution maps of direct electrons are investigated. These produce a distinct pattern of above-threshold detachment (ATD) concentric rings due to constructive and destructive quantum interference of electrons detached from their parent ions. Probability detachment distributions presented, capturing the influence of saturation effects that are found to become more significant with increasing laser intensity at a fixed wavelength. ATD photoangular distributions as functions of laser intensity and wavelength near channel closings are also investigated and found to be sensitive to initial-state symmetry. Nonmonotonic structures observed in the ejected photoelectron energy spectra are attributed to interference effects from coherent electronic wave packets. Additionally the profiles of all the photoelectron emission spectra show strong dependence on the carrier-envelope phase, indicating that it is a reliable parameter for characterizing the wave form of the pulse.

Statistics sunspots and settlement: Influences on sum of probability curves

Large data sets of radiocarbon dates are becoming a more common feature of archaeological research. The sheer numbers of radiocarbon dates produced, however, raise issues of representation and interpretation. This paper presents a methodology which both reduces the visible impact of dating fluctuations, but also takes into consideration the influence of the underlying radiocarbon calibration curve. By doing so, it may be possible to distinguish between periods of human activity in early medieval Ireland and the statistical tails produced by radiocarbon calibration.

Making heads or tails of probability:an experiment with random generators

The equiprobability bias is a tendency for individuals to think of probabilistic events as 'equiprobable' by nature, and to judge outcomes that occur with different probabilities as equally likely. The equiprobability bias has been repeatedly found to be related to formal education in statistics, and it is claimed to be based on a misunderstanding of the concept of randomness.