Simulation of the secondary electrons energy deposition produced by proton beams in PMMA: influence of the target electronic excitation description

We have studied the radial dependence of the energy deposition of the secondary electron generated by swift proton beams incident with energies T = 50 keV–5 MeV on poly(methylmethacrylate) (PMMA). Two different approaches have been used to model the electronic excitation spectrum of PMMA through its energy loss function (ELF), namely the extended-Drude ELF and the Mermin ELF. The singly differential cross section and the total cross section for ionization, as well as the average energy of the generated secondary electrons, show sizeable differences at T ⩽ 0.1 MeV when evaluated with these two ELF models. In order to know the radial distribution around the proton track of the energy deposited by the cascade of secondary electrons, a simulation has been performed that follows the motion of the electrons through the target taking into account both the inelastic interactions (via electronic ionizations and excitations as well as electron-phonon and electron trapping by polaron creation) and the elastic interactions. The radial distribution of the energy deposited by the secondary electrons around the proton track shows notable differences between the simulations performed with the extended-Drude ELF or the Mermin ELF, being the former more spread out (and, therefore, less peaked) than the latter. The highest intensity and sharpness of the deposited energy distributions takes place for proton beams incident with T ~ 0.1–1 MeV. We have also studied the influence in the radial distribution of deposited energy of using a full energy distribution of secondary electrons generated by proton impact or using a single value (namely, the average value of the distribution); our results show that differences between both simulations become important for proton energies larger than ~0.1 MeV. The results presented in this work have potential applications in materials science, as well as hadron therapy (due to the use of PMMA as a tissue phantom) in order to properly consider the generation of electrons by proton beams and their subsequent transport and energy deposition through the target in nanometric scales.

Large scale optimization of a sour water stripping plant using surrogate models

In this work, we propose a new methodology for the large scale optimization and process integration of complex chemical processes that have been simulated using modular chemical process simulators. Units with significant numerical noise or large CPU times are substituted by surrogate models based on Kriging interpolation. Using a degree of freedom analysis, some of those units can be aggregated into a single unit to reduce the complexity of the resulting model. As a result, we solve a hybrid simulation-optimization model formed by units in the original flowsheet, Kriging models, and explicit equations. We present a case study of the optimization of a sour water stripping plant in which we simultaneously consider economics, heat integration and environmental impact using the ReCiPe indicator, which incorporates the recent advances made in Life Cycle Assessment (LCA). The optimization strategy guarantees the convergence to a local optimum inside the tolerance of the numerical noise.

Modelling a biomass supply chain through discrete-event simulation

The organizational structure of the companies in the biomass energy sector, regarding the supply chain management services, can be greatly improved through the use of software decision support tools. These tools should be able to provide real-time alternative scenarios when deviations from the initial production plans are observed. To make this possible it is necessary to have representative production chain process models where several scenarios and solutions can be evaluated accurately. Due to its nature, this type of process is more adequately represented by means of event-based models. In particular, this work presents the modelling of a typical biomass production chain using the computing platform SIMEVENTS. Throughout the article details about the conceptual model, as well as simulation results, are provided

Forest-based supply chain modelling using the SimPy simulation framework

Proper management of supply chains is fundamental in the overall system performance of forestbased activities. Usually, efficient management techniques rely on a decision support software, which needs to be able to generate fast and effective outputs from the set of possibilities. In order to do this, it is necessary to provide accurate models representative of the dynamic interactions of systems. Due to forest-based supply chains’ nature, event-based models are more suited to describe their behaviours. This work proposes the modelling and simulation of a forestbased supply chain, in particular the biomass supply chain, through the SimPy framework. This Python based tool allows the modelling of discrete-event systems using operations such as events, processes and resources. The developed model was used to access the impact of changes in the daily working plan in three situations. First, as a control case, the deterministic behaviour was simulated. As a second approach, a machine delay was introduced and its implications in the plan accomplishment were analysed. Finally, to better address real operating conditions, stochastic behaviours of processing and driving times were simulated. The obtained results validate the SimPy simulation environment as a framework for modelling supply chains in general and for the biomass problem in particular.

Results of Heinrich event 1 simulation from the University of Victoria Earth System-Climate Model (UVic ESCM) and the Community Climate System Model (CCSM3)

We investigated changes in tropical climate and vegetation cover associated with abrupt climate change during Heinrich Event 1 (HE1, ca. 17.5 ka BP) using two different global climate models: the University of Victoria Earth System-Climate Model (UVic ESCM) and the Community Climate System Model version 3 (CCSM3). Tropical South American and African pollen records suggest that the cooling of the North Atlantic Ocean during HE1 influenced the tropics through a southward shift of the rain belt. In this study, we simulated the HE1 by applying a freshwater perturbation to the North Atlantic Ocean. The resulting slowdown of the Atlantic Meridional Overturning Circulation was followed by a temperature seesaw between the Northern and Southern Hemispheres, as well as a southward shift of the tropical rain belt. The shift and the response pattern of the tropical vegetation around the Atlantic Ocean were more pronounced in the CCSM3 than in the UVic ESCM simulation. For tropical South America, opposite changes in tree and grass cover were modeled around 10° S in the CCSM3 but not in the UVic ESCM. In tropical Africa, the grass cover increased and the tree cover decreased around 15° N in the UVic ESCM and around 10° N in the CCSM3. In the CCSM3 model, the tree and grass cover in tropical Southeast Asia responded to the abrupt climate change during the HE1, which could not be found in the UVic ESCM. The biome distributions derived from both models corroborate findings from pollen records in southwestern and equatorial western Africa as well as northeastern Brazil.

The development of UTCS/NETSIM/ICG: an integrated urban traffic control system - network simulation - interactive computer graphics program. Final report.

Transportation Department, Office of University Research, Washington, D.C.

Integrated traffic simulation model - phase I. Volume 4: revisions to the UTCS-1 traffic simulation model to enhance operational efficiency. Final report.

Federal Highway Administration, Washington, D.C.

Integrated traffic simulation model, phase, I. Volume 1: executive summary. Final report.

Federal Highway Administration, Washington, D.C.

Integrated traffic simulation model - phase I. Volume 2: design of the TRAF system (TOS). Final report.

Federal Highway Administration, Washington, D.C.

Models of pedestrian crossing behavior at signalized intersections.

Texas Department of Transportation, Austin

Model tests and numerical simulation of ship capsizing in following seas : final report for period December 1976 - October 1979 /

"Report no. CG-D-08-81."

Development of techniques and data for evaluating ride quality. Volume III: guidelines for development of ride quality models and their applications. Final report.

Transportation Department, Research and Special Programs Directorate, Washington, D.C.

Improvement of mathematical models for vehicle handling. Volume 8: summary report. Final report.

National Highway Traffic Safety Administration, Washington, D.C.

Improvement of mathematical models for vehicle handling. Volume 3: technical manual for the five-degree-of-freedom models. Final report.

National Highway Traffic Safety Administration, Washington, D.C.

Development and use of a computer simulation model for the evaluation of design and control alternatives for intersections of minor roads with multi-lane rural highways: field studies and model validation. Interim report.

Federal Highway Administration, Washington, D.C.