scholarly journals Predicting the reactivity of energetic materials: an ab initio multi-phonon approach

2019 ◽  
Vol 7 (33) ◽  
pp. 19539-19553 ◽  
Author(s):  
Adam A. L. Michalchuk ◽  
Morris Trestman ◽  
Svemir Rudić ◽  
Peter Portius ◽  
Peter T. Fincham ◽  
...  
Keyword(s):  
Ab Initio ◽  
Energetic Materials ◽  
Impact Sensitivity ◽  
Model Based ◽  
The Impact

The impact sensitivity of energetic materials is successfully predicted using an ab initio model based on the concepts of phonon up-pumping.

scholarly journals Effect of Nano-Sized Energetic Materials (nEMs) on the Performance of Solid Propellants: A Review

Nanomaterials ◽  
2021 ◽  
Vol 12 (1) ◽  
pp. 133
Author(s):  
Weiqiang Pang ◽  
Chongqing Deng ◽  
Huan Li ◽  
Luigi T. DeLuca ◽  
Dihua Ouyang ◽  
...  
Keyword(s):  
Energetic Materials ◽  
Research Topic ◽  
Impact Sensitivity ◽  
Solid Propellants ◽  
Rocket Nozzle ◽  
Nano Scale ◽  
Different Types ◽  
Solid Rocket ◽  
Friction Sensitivity ◽  
The Impact

As a hot research topic, nano-scale energetic materials have recently attracted much attention in the fields of propellants and explosives. The preparation of different types of nano-sized energetic materials were carried out, and the effects of nano-sized energetic materials (nEMs) on the properties of solid propellants and explosives were investigated and compared with those of micro-sized ones, placing emphasis on the investigation of the hazardous properties, which could be useable for solid rocket nozzle motor applications. It was found that the nano-sized energetic materials can decrease the impact sensitivity and friction sensitivity of solid propellants and explosives compared with the corresponding micro-sized ones, and the mechanical sensitivities are lower than that of micro-sized particles formulation. Seventy-nine references were enclosed.

scholarly journals Correlation between the self-sustaining ignition ability and the impact sensitivity of energetic materials

2020 ◽  
Vol 1 (1) ◽  
pp. 40-49 ◽  
Author(s):  
Xiaoxue Xiong ◽  
Xudong He ◽  
Ying Xiong ◽  
Xianggui Xue ◽  
Haijun Yang ◽  
...  
Keyword(s):  
Energetic Materials ◽  
Impact Sensitivity ◽  
The Self ◽  
The Impact

scholarly journals Models for predicting impact sensitivity of energetic materials based on the trigger linkage hypothesis and Arrhenius kinetics

2020 ◽  
Vol 26 (4) ◽  
Author(s):  
Tomas L. Jensen ◽  
John F. Moxnes ◽  
Erik Unneberg ◽  
Dennis Christensen
Keyword(s):  
Bayesian Analysis ◽  
Bond Dissociation Energy ◽  
Dissociation Energy ◽  
Energetic Materials ◽  
Impact Sensitivity ◽  
Model Complexity ◽  
Coefficient Of Determination ◽  
Nitrate Esters ◽  
Bond Dissociation ◽  
The Impact

Abstract In order to predict the impact sensitivity of high explosives, we designed and evaluated several models based on the trigger linkage hypothesis and the Arrhenius equation. To this effect, we calculated the heat of detonation, temperature of detonation, and bond dissociation energy for 70 energetic molecules. The bond dissociation energy divided by the temperature of detonation proved to be a good predictor of the impact sensitivity of nitroaromatics, with a coefficient of determination (R2) of 0.81. A separate Bayesian analysis gave similar results, taking model complexity into account. For nitramines, there was no relationship between the impact sensitivity and the bond dissociation energy. None of the models studied gave good predictions for the impact sensitivity of liquid nitrate esters. For solid nitrate esters, the bond dissociation energy divided by the temperature of detonation showed promising results (R2 = 0.85), but since this regression was based on only a few data points, it was discredited when model complexity was accounted for by our Bayesian analysis. Since the temperature of detonation correlated with the impact sensitivity for nitroaromatics, nitramines, and nitrate esters, we consider it to be one of the leading predictive factors of impact sensitivity for energetic materials.

scholarly journals A Model-Based Tool for Assessing the Impact of Land Use Change Scenarios on Flood Risk in Small-Scale River Systems—Part 1: Pre-Processing of Scenario Based Flood Characteristics for the Current State of Land Use

Hydrology ◽  
2021 ◽  
Vol 8 (3) ◽  
pp. 102
Author(s):  
Frauke Kachholz ◽  
Jens Tränckner
Keyword(s):  
Land Use ◽  
River Flow ◽  
Land Use Changes ◽  
Small Rivers ◽  
Small Scale ◽  
Model Parameters ◽  
Ungauged Catchments ◽  
Model Based ◽  
Current State ◽  
The Impact

Land use changes influence the water balance and often increase surface runoff. The resulting impacts on river flow, water level, and flood should be identified beforehand in the phase of spatial planning. In two consecutive papers, we develop a model-based decision support system for quantifying the hydrological and stream hydraulic impacts of land use changes. Part 1 presents the semi-automatic set-up of physically based hydrological and hydraulic models on the basis of geodata analysis for the current state. Appropriate hydrological model parameters for ungauged catchments are derived by a transfer from a calibrated model. In the regarded lowland river basins, parameters of surface and groundwater inflow turned out to be particularly important. While the calibration delivers very good to good model results for flow (Evol =2.4%, R = 0.84, NSE = 0.84), the model performance is good to satisfactory (Evol = −9.6%, R = 0.88, NSE = 0.59) in a different river system parametrized with the transfer procedure. After transferring the concept to a larger area with various small rivers, the current state is analyzed by running simulations based on statistical rainfall scenarios. Results include watercourse section-specific capacities and excess volumes in case of flooding. The developed approach can relatively quickly generate physically reliable and spatially high-resolution results. Part 2 builds on the data generated in part 1 and presents the subsequent approach to assess hydrologic/hydrodynamic impacts of potential land use changes.

scholarly journals A Reference Framework to Combine Model-Based Design and AR to Improve Social Sustainability

2021 ◽  
Vol 13 (4) ◽  
pp. 2031
Author(s):  
Fabio Grandi ◽  
Riccardo Karim Khamaisi ◽  
Margherita Peruzzini ◽  
Roberto Raffaeli ◽  
Marcello Pellicciari
Keyword(s):  
Positive Impact ◽  
Cost Effective ◽  
Digital Models ◽  
Model Based ◽  
Digital Contents ◽  
Recent Developments ◽  
Virtual Simulations ◽  
Product And Process ◽  
The Impact ◽  
Time Information

Product and process digitalization is pervading numerous areas in the industry to improve quality and reduce costs. In particular, digital models enable virtual simulations to predict product and process performances, as well as to generate digital contents to improve the general workflow. Digital models can also contain additional contents (e.g., model-based design (MBD)) to provide online and on-time information about process operations and management, as well as to support operator activities. The recent developments in augmented reality (AR) offer new specific interfaces to promote the great diffusion of digital contents into industrial processes, thanks to flexible and robust applications, as well as cost-effective devices. However, the impact of AR applications on sustainability is still poorly explored in research. In this direction, this paper proposed an innovative approach to exploit MBD and introduce AR interfaces in the industry to support human intensive processes. Indeed, in those processes, the human contribution is still crucial to guaranteeing the expected product quality (e.g., quality inspection). The paper also analyzed how this new concept can benefit sustainability and define a set of metrics to assess the positive impact on sustainability, focusing on social aspects.

scholarly journals Model-Based Control of Torque and Nitrogen Oxide Emissions in a Euro VI 3.0 L Diesel Engine through Rapid Prototyping

Energies ◽  
2021 ◽  
Vol 14 (4) ◽  
pp. 1107
Author(s):  
Stefano d’Ambrosio ◽  
Roberto Finesso ◽  
Gilles Hardy ◽  
Andrea Manelli ◽  
Alessandro Mancarella ◽  
...  
Keyword(s):  
Diesel Engine ◽  
Rapid Prototyping ◽  
Nitrogen Oxide ◽  
Thermal State ◽  
Pollutant Emissions ◽  
Computational Time ◽  
Nox Emissions ◽  
Model Based ◽  
Brake Mean Effective Pressure ◽  
The Impact

In the present paper, a model-based controller of engine torque and engine-out Nitrogen oxide (NOx) emissions, which was previously developed and tested by means of offline simulations, has been validated on a FPT F1C 3.0 L diesel engine by means of rapid prototyping. With reference to the previous version, a new NOx model has been implemented to improve robustness in terms of NOx prediction. The experimental tests have confirmed the basic functionality of the controller in transient conditions, over different load ramps at fixed engine speeds, over which the average RMSE (Root Mean Square Error) values for the control of NOx emissions were of the order of 55–90 ppm, while the average RMSE values for the control of brake mean effective pressure (BMEP) were of the order of 0.25–0.39 bar. However, the test results also highlighted the need for further improvements, especially concerning the effect of the engine thermal state on the NOx emissions in transient operation. Moreover, several aspects, such as the check of the computational time, the impact of the controller on other pollutant emissions, or on the long-term engine operations, will have to be evaluated in future studies in view of the controller implementation on the engine control unit.

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