Efficient on the fly calculation of time correlation functions in computer simulations

Time correlation functions yield profound information about the dynamics of a physical system and hence are frequently calculated in computer simulations. For systems whose dynamics span a wide range of time, currently used methods require significant computer time and memory. In this paper, we discuss the multiple-tau correlator method for the efficient calculation of accurate time correlation functions on the fly during computer simulations. The multiple-tau correlator is efficacious in terms of computational requirements and can be tuned to the desired level of accuracy. Further, we derive estimates for the error arising from the use of the multiple-tau correlator and extend it for use in the calculation of mean-square particle displacements and dynamic structure factors. The method described here, in hardware implementation, is routinely used in light scattering experiments but has not yet found widespread use in computer simulations.

A survey of gradual solar energetic particle events

We develop a database of 110 gradual solar energetic particle (SEP) events, over the period 1967–2006, providing estimates of event onset, duration, fluence, and peak flux for protons of energy E > 60 MeV. The database is established mainly from the energetic proton flux data distributed in the OMNI 2 data set; however, we also utilize the McMurdo neutron monitor and the energetic proton flux from GOES missions. To aid the development of the gradual SEP database, we establish a method with which the homogeneity of the energetic proton flux record is improved. A comparison between other SEP databases and the database developed here is presented which discusses the different algorithms used to define an event. Furthermore, we investigate the variation of gradual SEP occurrence and fluence with solar cycle phase, sunspot number (SSN), and interplanetary magnetic field intensity (Bmag) over solar cycles 20–23. We find that the occurrence and fluence of SEP events vary with the solar cycle phase. Correspondingly, we find a positive correlation between SEP occurrence and solar activity as determined by SSN and Bmag, while the mean fluence in individual events decreases with the same measures of solar activity. Therefore, although the number of events decreases when solar activity is low, the events that do occur at such times have higher fluence. Thus, large events such as the “Carrington flare” may be more likely at lower levels of solar activity. These results are discussed in the context of other similar investigations.

The correlation of ULF waves and auroral intensity before, during and after substorm expansion phase onset

We present case studies of the evolution of magnetic wave amplitudes and auroral intensity through the late growth phase and the expansion phase of the substorm cycle. We present strong evidence that substorm-related auroral enhancements are clearly and demonstrably linked to ULF wave amplitudes observed at the same location. In most cases, we find that the highest correlations are observed when the magnetometer time series is advanced in time, indicating that the ULF wave amplitudes start to grow before measured auroral intensities, though interestingly this is not always the case. Further we discuss the four possible reasons that may be able to explain both the timing and the high correlations between these two phenomena, including: a simple coincidence, an artifact of instrumental effects, the response of the ionosphere to magnetic waves and auroral particle precipitation, and finally that ULF waves and auroral particle precipitation are physically linked. We discount coincidence and instrumental effects since in the studies presented here they are unlikely or in general will contribute negligible effects, and we find that the ionospheric response to waves and precipitation can explain some, but not all of the results contained within this paper. Specifically, ionospheric response to substorm waves and auroral precipitation cannot explain that the result that previous studies have shown, that onset of ULF wave activity and the onset of auroral particle precipitation occur at the same time and in the same location. This leaves the possibility that ULF waves and auroral particles are physically linked.

Theory and observations of ice particle evolution in cirrus using Doppler radar: evidence for aggregation

Vertically pointing Doppler radar has been used to study the evolution of ice particles as they sediment through a cirrus cloud. The measured Doppler fall speeds, together with radar-derived estimates for the altitude of cloud top, are used to estimate a characteristic fall time tc for the `average' ice particle. The change in radar reflectivity Z is studied as a function of tc, and is found to increase exponentially with fall time. We use the idea of dynamically scaling particle size distributions to show that this behaviour implies exponential growth of the average particle size, and argue that this exponential growth is a signature of ice crystal aggregation.

Mass and size distribution measurement of particulates from a gas turbine combustor using modern mobility analyzer and particle sizer

SMPS and DMS500 analysers were used to measure particulate size distributions in the exhaust of a fully annular aero gas turbine engine at two operating conditions to compare and analyse sources of discrepancy. A number of different dilution ratio values were utilised for the comparative analysis, and a Dekati hot diluter operating at a temperature of 623°K was also utilised to remove volatile PM prior to measurements being made. Additional work focused on observing the effect of varying the sample line temperatures to ascertain the impact. Explanations are offered for most of the trends observed, although a new, repeatable event identified in the range from 417°K to 423°K – where there was a three order of magnitude increase in the nucleation mode of the sample – requires further study.

Assessment of soil particle redistribution on two contrasting cultivated hillslopes

The particle size distributions of surface soils from two cultivated silty fields (Moorfield and Railway South) in Herefordshire, UK, were assessed by sampling on 20-m grids across the fields. Moorfield (8 ha) had a uniform landscape sloping mainly in a North-South direction while Railway South (12 ha) had complex undulating landscape characteristics. Samples from 3 surficial layers were also taken at 3 landscape positions at Moorfield to investigate recent (within-season) soil particle redistribution. Size fractions were determined using chemical dispersion, wet sieving (to separate the sand fractions) and laser gramilometry (for the finer fractions). The distribution of various fractions and the relationships between elevation and the various fractions suggest preferential detachment and movement of coarse to very coarse silt fractions (16-63 mu m), which were found mostly at downslope or depositional areas. Upper slope samples had higher clay to fine silt (< 16 mu m) contents than bottom slope samples. The upslope-downslope patterns of size fractions, particularly on uniformly sloping areas, of the 2 fields were similar and their deposited sediments were dominated by coarse silt fractions. Samples from 3 landscape positions at Moorfield became coarser from the less eroded summit, through the eroding side-slope to the bottom-slope depositional area. Within each of these landscape positions the top 0-2.5 cm layers were more enriched in coarse silt fractions than the bottom layers. The spatial patterns of soil particle size distributions in the 2 fields may be a result of sediment detachment and deposition caused by water erosion and tillage operations. (c) 2005 Elsevier B.V. All rights reserved.

Trace element partitioning and soil particle characterisation around mining and smelting areas at Tharsis, Riotinto and Huelva, SW Spain

Trace elements may present an environmental hazard in the vicinity of mining and smelting activities. However, the factors controlling trace element distribution in soils around ancient and modem mining and smelting areas are not always clear. Tharsis, Riotinto and Huelva are located in the Iberian Pyrite Belt in SW Spain. Tharsis and Riotinto mines have been exploited since 2500 B.C., with intensive smelting taking place. Huelva, established in 1970 and using the Flash Furnace Outokumpu process, is currently one of the largest smelter in the world. Pyrite and chalcopyrite ore have been intensively smelted for Cu. However, unusually for smelters and mines of a similar size, the elevated trace element concentrations in soils were found to be restricted to the immediate vicinity of the mines and smelters, being found up to a maximum of 2 kin from the mines and smelters at Tharsis, Riotinto and Huelva. Trace element partitioning (over 2/3 of trace elements found in the residual immobile fraction of soils at Tharsis) and soil particles examination by SEM-EDX showed that trace elements were not adsorbed onto soil particles, but were included within the matrix of large trace element-rich Fe silicate slag particles (i.e. 1 min circle divide at least 1 wt.% As, Cu and Zn, and 2 wt.% Pb). Slag particle large size (I mm 0) was found to control the geographically restricted trace element distribution in soils at Tharsis, Riotinto and Huelva, since large heavy particles could not have been transported long distances. Distribution and partitioning indicated that impacts to the environment as a result of mining and smelting should remain minimal in the region. (c) 2006 Elsevier B.V. All rights reserved.

Exploring the spatial relations between soil properties and electro-magnetic induction (EMI) and the implications for management

The relations between soil electrical conductivity (ECa) and top- and sub-soil physical properties were examined for an arable field in England. The correlation coefficients between ECa and the soil particle size fractions were large and their cross variograms showed that the coregionalization was also strong. The coregionalization was stronger for the subsoil properties than for the topsoil, the reverse to the correlation coefficients. The relations between ECa and some soil properties, such as clay and water content, appear complex and emphasize that a map of ECa cannot substitute for sampling the soil.