Mirrored continuum and molecular scale simulations of the ignition of gamma phase RDX

NASA Astrophysics Data System (ADS)

Stewart, D. Scott; Chaudhuri, Santanu; Joshi, Kaushik; Lee, Kiabek

2015-06-01

We consider the ignition of a high-pressure gamma-phase of an explosive crystal of RDX which forms during overdriven shock initiation. Molecular dynamics (MD), with first-principles based or reactive force field based molecular potentials, provides a description of the chemistry as an extremely complex reaction network. The results of the molecular simulation is analyzed by sorting molecular product fragments into high and low molecular groups, to represent identifiable components that can be interpreted by a continuum model. A continuum model based on a Gibbs formulation, that has a single temperature and stress state for the mixture is used to represent the same RDX material and its chemistry. Each component in the continuum model has a corresponding Gibbs continuum potential, that are in turn inferred from molecular MD informed equation of state libraries such as CHEETAH, or are directly simulated by Monte Carlo MD simulations. Information about transport, kinetic rates and diffusion are derived from the MD simulation and the growth of a reactive hot spot in the RDX is studied with both simulations that mirror the other results to provide an essential, continuum/atomistic link. Supported by N000014-12-1-0555, subaward-36561937 (ONR).

SQUIDs vs. Induction Coils for Ultra-Low Field Nuclear Magnetic Resonance: Experimental and Simulation Comparison

PubMed Central

Matlashov, Andrei N.; Schultz, Larry J.; Espy, Michelle A.; Kraus, Robert H.; Savukov, Igor M.; Volegov, Petr L.; Wurden, Caroline J.

2011-01-01

Nuclear magnetic resonance (NMR) is widely used in medicine, chemistry and industry. One application area is magnetic resonance imaging (MRI). Recently it has become possible to perform NMR and MRI in the ultra-low field (ULF) regime requiring measurement field strengths of the order of only 1 Gauss. This technique exploits the advantages offered by superconducting quantum interference devices or SQUIDs. Our group has built SQUID based MRI systems for brain imaging and for liquid explosives detection at airport security checkpoints. The requirement for liquid helium cooling limits potential applications of ULF MRI for liquid identification and security purposes. Our experimental comparative investigation shows that room temperature inductive magnetometers may provide enough sensitivity in the 3–10 kHz range and can be used for fast liquid explosives detection based on ULF NMR technique. We describe experimental and computer-simulation results comparing multichannel SQUID based and induction coils based instruments that are capable of performing ULF MRI for liquid identification. PMID:21747638

Explosive simulants for testing explosive detection systems

DOEpatents

Kury, John W.; Anderson, Brian L.

1999-09-28

Explosives simulants that include non-explosive components are disclosed that facilitate testing of equipment designed to remotely detect explosives. The simulants are non-explosive, non-hazardous materials that can be safely handled without any significant precautions. The simulants imitate real explosives in terms of mass density, effective atomic number, x-ray transmission properties, and physical form, including moldable plastics and emulsions/gels.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scott Stewart, D., E-mail: dss@illinois.edu; Hernández, Alberto; Lee, Kibaek

The estimation of pressure and temperature histories, which are required to understand chemical pathways in condensed phase explosives during detonation, is discussed. We argue that estimates made from continuum models, calibrated by macroscopic experiments, are essential to inform modern, atomistic-based reactive chemistry simulations at detonation pressures and temperatures. We present easy to implement methods for general equation of state and arbitrarily complex chemical reaction schemes that can be used to compute reactive flow histories for the constant volume, the energy process, and the expansion process on the Rayleigh line of a steady Chapman-Jouguet detonation. A brief review of state-of-the-art ofmore » two-component reactive flow models is given that highlights the Ignition and Growth model of Lee and Tarver [Phys. Fluids 23, 2362 (1980)] and the Wide-Ranging Equation of State model of Wescott, Stewart, and Davis [J. Appl. Phys. 98, 053514 (2005)]. We discuss evidence from experiments and reactive molecular dynamic simulations that motivate models that have several components, instead of the two that have traditionally been used to describe the results of macroscopic detonation experiments. We present simplified examples of a formulation for a hypothetical explosive that uses simple (ideal) equation of state forms and detailed comparisons. Then, we estimate pathways computed from two-component models of real explosive materials that have been calibrated with macroscopic experiments.« less

Non-detonable explosive simulators

DOEpatents

Simpson, Randall L.; Pruneda, Cesar O.

1994-01-01

A simulator which is chemically equivalent to an explosive, but is not detonable. The simulator has particular use in the training of explosives detecting dogs and calibrating sensitive analytical instruments. The explosive simulants may be fabricated by different techniques, a first involves the use of standard slurry coatings to produce a material with a very high binder to explosive ratio without masking the explosive vapor, and the second involves coating inert beads with thin layers of explosive molecules.

Chemical analysis of pharmaceuticals and explosives in fingermarks using matrix-assisted laser desorption ionization/time-of-flight mass spectrometry.

PubMed

Kaplan-Sandquist, Kimberly; LeBeau, Marc A; Miller, Mark L

2014-02-01

Chemical analysis of latent fingermarks, "touch chemistry," has the potential of providing intelligence or forensically relevant information. Matrix-assisted laser desorption ionization/time-of-flight mass spectrometry (MALDI/TOF MS) was used as an analytical platform for obtaining mass spectra and chemical images of target drugs and explosives in fingermark residues following conventional fingerprint development methods and MALDI matrix processing. There were two main purposes of this research: (1) develop effective laboratory methods for detecting drugs and explosives in fingermark residues and (2) determine the feasibility of detecting drugs and explosives after casual contact with pills, powders, and residues. Further, synthetic latent print reference pads were evaluated as mimics of natural fingermark residue to determine if the pads could be used for method development and quality control. The results suggest that artificial amino acid and sebaceous oil residue pads are not suitable to adequately simulate natural fingermark chemistry for MALDI/TOF MS analysis. However, the pads were useful for designing experiments and setting instrumental parameters. Based on the natural fingermark residue experiments, handling whole or broken pills did not transfer sufficient quantities of drugs to allow for definitive detection. Transferring drugs or explosives in the form of powders and residues was successful for preparing analytes for detection after contact with fingers and deposition of fingermark residue. One downfall to handling powders was that the analyte particles were easily spread beyond the original fingermark during development. Analyte particles were confined in the original fingermark when using transfer residues. The MALDI/TOF MS was able to detect procaine, pseudoephedrine, TNT, and RDX from contact residue under laboratory conditions with the integration of conventional fingerprint development methods and MALDI matrix. MALDI/TOF MS is a nondestructive technique which provides chemical information in both the mass spectra and chemical images. Published by Elsevier Ireland Ltd.

46 CFR 189.25-47 - Chemical and explosive hazards.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 7 2010-10-01 2010-10-01 false Chemical and explosive hazards. 189.25-47 Section 189.25... INSPECTION AND CERTIFICATION Inspection for Certification § 189.25-47 Chemical and explosive hazards. (a) The marine inspector shall inspect every chemistry laboratory, scientific laboratory, and chemical storeroom...

46 CFR 189.25-47 - Chemical and explosive hazards.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 7 2011-10-01 2011-10-01 false Chemical and explosive hazards. 189.25-47 Section 189.25... INSPECTION AND CERTIFICATION Inspection for Certification § 189.25-47 Chemical and explosive hazards. (a) The marine inspector shall inspect every chemistry laboratory, scientific laboratory, and chemical storeroom...

46 CFR 189.25-47 - Chemical and explosive hazards.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 46 Shipping 7 2014-10-01 2014-10-01 false Chemical and explosive hazards. 189.25-47 Section 189.25... INSPECTION AND CERTIFICATION Inspection for Certification § 189.25-47 Chemical and explosive hazards. (a) The marine inspector shall inspect every chemistry laboratory, scientific laboratory, and chemical storeroom...

46 CFR 189.25-47 - Chemical and explosive hazards.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 7 2013-10-01 2013-10-01 false Chemical and explosive hazards. 189.25-47 Section 189.25... INSPECTION AND CERTIFICATION Inspection for Certification § 189.25-47 Chemical and explosive hazards. (a) The marine inspector shall inspect every chemistry laboratory, scientific laboratory, and chemical storeroom...

46 CFR 189.25-47 - Chemical and explosive hazards.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 46 Shipping 7 2012-10-01 2012-10-01 false Chemical and explosive hazards. 189.25-47 Section 189.25... INSPECTION AND CERTIFICATION Inspection for Certification § 189.25-47 Chemical and explosive hazards. (a) The marine inspector shall inspect every chemistry laboratory, scientific laboratory, and chemical storeroom...

Non-detonable and non-explosive explosive simulators

DOEpatents

Simpson, Randall L.; Pruneda, Cesar O.

1997-01-01

A simulator which is chemically equivalent to an explosive, but is not detonable or explodable. The simulator is a combination of an explosive material with an inert material, either in a matrix or as a coating, where the explosive has a high surface ratio but small volume ratio. The simulator has particular use in the training of explosives detecting dogs, calibrating analytical instruments which are sensitive to either vapor or elemental composition, or other applications where the hazards associated with explosives is undesirable but where chemical and/or elemental equivalence is required. The explosive simulants may be fabricated by different techniques. A first method involves the use of standard slurry coatings to produce a material with a very high binder to explosive ratio without masking the explosive vapor, and a second method involves coating inert substrates with thin layers of explosive.

Method for fabricating non-detonable explosive simulants

DOEpatents

Simpson, Randall L.; Pruneda, Cesar O.

1995-01-01

A simulator which is chemically equivalent to an explosive, but is not detonable. The simulator has particular use in the training of explosives detecting dogs and calibrating sensitive analytical instruments. The explosive simulants may be fabricated by different techniques, a first involves the use of standard slurry coatings to produce a material with a very high binder to explosive ratio without masking the explosive vapor, and the second involves coating inert beads with thin layers of explosive molecules.

Non-detonable explosive simulators

DOEpatents

Simpson, R.L.; Pruneda, C.O.

1994-11-01

A simulator which is chemically equivalent to an explosive, but is not detonable. The simulator has particular use in the training of explosives detecting dogs and calibrating sensitive analytical instruments. The explosive simulants may be fabricated by different techniques, a first involves the use of standard slurry coatings to produce a material with a very high binder to explosive ratio without masking the explosive vapor, and the second involves coating inert beads with thin layers of explosive molecules. 5 figs.

Embedded fiber Bragg grating pressure measurement during thermal ignition of a high explosive

DOE PAGES

Rodriguez, George; Smilowitz, Laura Beth; Henson, Bryan Fayne

2016-10-17

A high-speed fiber Bragg grating based pressure-only measurement is reported for the high explosive PBXN-9 under thermal initiation conditions. During exothermic thermal runaway, an explosion rise time of 500 μs reaching a peak pressure of 660 MPa is measured. Lastly, the approach offers a direct measure pressure diagnostic useful for quantifying reaction violence for high explosive chemistry.

Embedded fiber Bragg grating pressure measurement during thermal ignition of a high explosive

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rodriguez, George; Smilowitz, Laura Beth; Henson, Bryan Fayne

A high-speed fiber Bragg grating based pressure-only measurement is reported for the high explosive PBXN-9 under thermal initiation conditions. During exothermic thermal runaway, an explosion rise time of 500 μs reaching a peak pressure of 660 MPa is measured. Lastly, the approach offers a direct measure pressure diagnostic useful for quantifying reaction violence for high explosive chemistry.

Method for fabricating non-detonable explosive simulants

DOEpatents

Simpson, R.L.; Pruneda, C.O.

1995-05-09

A simulator is disclosed which is chemically equivalent to an explosive, but is not detonable. The simulator has particular use in the training of explosives detecting dogs and calibrating sensitive analytical instruments. The explosive simulants may be fabricated by different techniques, a first involves the use of standard slurry coatings to produce a material with a very high binder to explosive ratio without masking the explosive vapor, and the second involves coating inert beads with thin layers of explosive molecules. 5 figs.

Non-detonable and non-explosive explosive simulators

DOEpatents

Simpson, R.L.; Pruneda, C.O.

1997-07-15

A simulator which is chemically equivalent to an explosive, but is not detonable or explodable is disclosed. The simulator is a combination of an explosive material with an inert material, either in a matrix or as a coating, where the explosive has a high surface ratio but small volume ratio. The simulator has particular use in the training of explosives detecting dogs, calibrating analytical instruments which are sensitive to either vapor or elemental composition, or other applications where the hazards associated with explosives is undesirable but where chemical and/or elemental equivalence is required. The explosive simulants may be fabricated by different techniques. A first method involves the use of standard slurry coatings to produce a material with a very high binder to explosive ratio without masking the explosive vapor, and a second method involves coating inert substrates with thin layers of explosive. 11 figs.

Molecular simulation studies on chemical reactivity of methylcyclopentadiene.

PubMed

Wang, Qingsheng; Zhang, Yingchun; Rogers, William J; Mannan, M Sam

2009-06-15

Molecular simulations are important to predict thermodynamic values for reactive chemicals especially when sufficient experimental data are not available. Methylcyclopentadiene (MCP) is an example of a highly reactive and hazardous compound in the chemical process industry. In this work, chemical reactivity of 2-methylcyclopentadiene, including isomerization, dimerization, and oxidation reactions, is investigated in detail by theoretical computational chemistry methods and empirical thermodynamic-energy correlation. On the basis of molecular simulations, an average value of -15.2 kcal/mol for overall heat of dimerization and -45.6 kcal/mol for overall heat of oxidation were obtained in gaseous phase at 298 K and 1 atm. These molecular simulation studies can provide guidance for the design of safer chemical processes, safer handling of MCP, and also provide useful information for an investigation of the T2 Laboratories explosion on December 19, 2007, in Florida.

SQUIDs vs. Faraday coils for ultlra-low field nuclear magnetic resonance: experimental and simulation comparison

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matlashov, Andrei N; Espy, Michelle A; Kraus, Robert H

2010-01-01

Nuclear magnetic resonance (NMR) methods are widely used in medicine, chemistry and industry. One application area is magnetic resonance imaging or MRI. Recently it has become possible to perform NMR and MRI in ultra-low field (ULF) regime that requires measurement field strengths only of the order of 1 Gauss. These techniques exploit the advantages offered by superconducting quantum interference devices or SQUIDs. Our group at LANL has built SQUID based MRI systems for brain imaging and for liquid explosives detection at airports security checkpoints. The requirement for liquid helium cooling limits potential applications of ULF MRI for liquid identification andmore » security purposes. Our experimental comparative investigation shows that room temperature inductive magnetometers provide enough sensitivity in the 3-10 kHz range and can be used for fast liquid explosives detection based on ULF NMR/MRI technique. We describe an experimental and computer simulation comparison of the world's first multichannel SQUID based and Faraday coils based instruments that are capable of performing ULF MRI for liquids identification.« less

Optical characterization of shock-induced chemistry in the explosive nitromethane using DFT and time-dependent DFT

NASA Astrophysics Data System (ADS)

Pellouchoud, Lenson; Reed, Evan

2014-03-01

With continual improvements in ultrafast optical spectroscopy and new multi-scale methods for simulating chemistry for hundreds of picoseconds, the opportunity is beginning to exist to connect experiments with simulations on the same timescale. We compute the optical properties of the liquid phase energetic material nitromethane (CH3NO2) for the first 100 picoseconds behind the front of a simulated shock at 6.5km/s, close to the experimentally observed detonation shock speed. We utilize molecular dynamics trajectories computed using the multi-scale shock technique (MSST) for time-resolved optical spectrum calculations based on both linear response time-dependent DFT (TDDFT) and the Kubo-Greenwood (KG) formula within Kohn-Sham DFT. We find that TDDFT predicts optical conductivities 25-35% lower than KG-based values and provides better agreement with the experimentally measured index of refraction of unreacted nitromethane. We investigate the influence of electronic temperature on the KG spectra and find no significant effect at optical wavelengths. With all methods, the spectra evolve non-monotonically in time as shock-induced chemistry takes place. We attribute the time-resolved absorption at optical wavelengths to time-dependent populations of molecular decomposition products, including NO, CNO, CNOH, H2O, and larger molecules. Supported by NASA Space Technology Research Fellowship (NSTRF) #NNX12AM48H.

Chemistry laboratory safety manual available

NASA Technical Reports Server (NTRS)

Elsbrock, R. G.

1968-01-01

Chemistry laboratory safety manual outlines safe practices for handling hazardous chemicals and chemistry laboratory equipment. Included are discussions of chemical hazards relating to fire, health, explosion, safety equipment and procedures for certain laboratory techniques and manipulations involving glassware, vacuum equipment, acids, bases, and volatile solvents.

Non-equilibrium dynamics due to moving deflagration front at RDX/HTPB interface

NASA Astrophysics Data System (ADS)

Chaudhuri, Santanu; Joshi, Kaushik; Lacevic, Naida

Reactive dissipative particle dynamics (DPD-RX), a promising tool in characterizing the sensitivity and performance of heterogeneous solid propellants like polymer bonded explosives (PSXs), requires further testing for non-equilibrium dynamics. It is important to understand detailed atomistic chemistry for developing coarse grain reactive models needed for the DPD-RX. In order to obtain insights into combustion chemistry of RDX/HTPB binder, we used reactive molecular dynamics (RMD) to obtain energy up-pumping and reaction mechanisms at RDX/HTPB interface when exposed to a self-sustaining deflagration front. Hot spots are ignited near and away from the heterogeneous interface using the thermal pulse. The results show that the hot spot near interface significantly delays the transition from ignition to deflagration. We will present the mechanical response and the combustion chemistry of HTPB when the propagating deflagration front hits the polymer binder. We will discuss our efforts to incorporate this RMD based chemistry into the DPD-RX which will enable us to perform such non-equilibrium dynamics simulations on large-length scale with microstructural heterogeneities. Funding from DTRA Grant Number HDTRA1-15-1-0034 is acknowledged.

Detonation Chemistry: An Investigation of Fluorine as an Oxidizing Moiety in Explosives

DTIC Science & Technology

1982-07-07

Aluminized Explosives .. .. .... ....... ....... .... 32 Conclusion .. .. ....... ....... ....... .........34 References...heats with a knifeblade heater. A small centrifugal pump circulates water from the jacket through the jacket lid. The thermometric system is a Hewlett...and that the relative flatness of the expansion adiabats for products of aluminized explosives is due to very high vibrational energy (temperature) and

Examining the Chemical and Structural Properties that Influence the Sensitivity of Energetic Nitrate Esters

DOE PAGES

Manner, Virginia W.; Cawkwell, Marc; Kober, Edward M.; ...

2018-03-09

The sensitivity of explosives is controlled by factors that span from intrinsic chemical reactivity and chemical intramolecular effects to mesoscale structure and defects, and has been a topic of extensive study for over 50 years. Due to these complex competing chemical and physical elements, a unifying relationship between molecular framework, crystal structure, and sensitivity has yet to be developed. In order to move towards this goal, ideally experimental studies should be performed on systems with small, systematic structural modifications, with modeling utilized to interpret experimental results. Pentaerythritol tetranitrate (PETN) is a common nitrate ester explosive that has been widely studiedmore » due to its use in military and commercial explosives. We have synthesized PETN derivatives with modified sensitivity characteristics by substituting the CCH 2ONO 2 moiety with other substituents, including CH, CNH 2, CNH3X, CCH 3, and PO. We relate the handling sensitivity properties of each PETN derivative to its structural properties, and discuss the potential roles of thermodynamic properties such as heat capacity and heat of formation, thermal stability, crystal structure, compressibility, and inter- and intramolecular hydrogen bonding on impact sensitivity. Reactive molecular dynamics (MD) simulations of the C/H/N/O-based PETN-derivatives have been performed under cook-off conditions that mimic those accessed in impact tests. These simulations infer how changes in chemistry affect the subsequent decomposition pathways.« less

Examining the Chemical and Structural Properties that Influence the Sensitivity of Energetic Nitrate Esters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Manner, Virginia W.; Cawkwell, Marc; Kober, Edward M.

The sensitivity of explosives is controlled by factors that span from intrinsic chemical reactivity and chemical intramolecular effects to mesoscale structure and defects, and has been a topic of extensive study for over 50 years. Due to these complex competing chemical and physical elements, a unifying relationship between molecular framework, crystal structure, and sensitivity has yet to be developed. In order to move towards this goal, ideally experimental studies should be performed on systems with small, systematic structural modifications, with modeling utilized to interpret experimental results. Pentaerythritol tetranitrate (PETN) is a common nitrate ester explosive that has been widely studiedmore » due to its use in military and commercial explosives. We have synthesized PETN derivatives with modified sensitivity characteristics by substituting the CCH 2ONO 2 moiety with other substituents, including CH, CNH 2, CNH3X, CCH 3, and PO. We relate the handling sensitivity properties of each PETN derivative to its structural properties, and discuss the potential roles of thermodynamic properties such as heat capacity and heat of formation, thermal stability, crystal structure, compressibility, and inter- and intramolecular hydrogen bonding on impact sensitivity. Reactive molecular dynamics (MD) simulations of the C/H/N/O-based PETN-derivatives have been performed under cook-off conditions that mimic those accessed in impact tests. These simulations infer how changes in chemistry affect the subsequent decomposition pathways.« less

Carbon solids in oxygen-deficient explosives (LA-UR-13-21151)

NASA Astrophysics Data System (ADS)

Peery, Travis

2013-06-01

The phase behavior of excess carbon in oxygen-deficient explosives has a significant effect on detonation properties and product equations of state. Mixtures of fuel oil in ammonium nitrate (ANFO) above a stoichiometric ratio demonstrate that even small amounts of graphite, on the order of 5% by mole fraction, can substantially alter the Chapman-Jouget (CJ) state properties, a central ingredient in modeling the products equation of state. Similar effects can be seen for Composition B, which borders the carbon phase boundary between graphite and diamond. Nano-diamond formation adds complexity to the product modeling because of surface adsorption effects. I will discuss these carbon phase issues in our equation of state modeling of detonation products, including our statistical mechanics description of carbon clustering and surface chemistry to properly treat solid carbon formation. This work is supported by the Advanced Simulation and Computing Program, under the NNSA.

Numerical Simulation on Smoke Spread and Temperature Distribution in a Corn Starch Explosion

NASA Astrophysics Data System (ADS)

Lin, CherngShing; Hsu, JuiPei

2018-01-01

It is discovered from dust explosion accidents in recent years that deep causes of the accidents lies in insufficient cognition of dust explosion danger, and no understanding on danger and information of the dust explosion. In the study, Fire Dynamics Simulator (FDS) evaluation tool is used aiming at Taiwan Formosa Fun Coast explosion accidents. The calculator is used for rebuilding the explosion situation. The factors affecting casualties under explosion are studied. The injured personnel participating in the party are evaluated according to smoke diffusion and temperature distribution for numerical simulation results. Some problems noted in the fire disaster after actual explosion are proposed, rational site analysis is given, thereby reducing dust explosion risk grade.

The development of an inert simulant for HNS/teflon explosive

NASA Technical Reports Server (NTRS)

Elban, W. L.

1972-01-01

The report describes the development and evaluation of an inert simulant for the thermally stable, heat-resistant plastic-bonded explosive HNS/Teflon. The simulant is made by dry blending vinylidene fluoride, melamine and Teflon which when compared has a pressed density and thermal properties corresponding closely to the explosive. In addition, the machinability and handling characteristics of the simulant are similar to the explosive.

Aerosol in the Upper Troposphere Lower Stratosphere, decadal Simulations of Radiative Forcing using the Chemistry Circulation Model EMAC and MIPAS, GOMOS, IASI and other Satellite Data

NASA Astrophysics Data System (ADS)

Bruehl, C.; Schallock, J.; Lelieveld, J.; Bingen, C.; Robert, C. E.; Hoepfner, M.; Clarisse, L.

2017-12-01

The atmospheric chemistry - general circulation model EMAC with a modal interactive aerosol module is used to estimate radiative effects of UTLS aerosol for the ENVISAT period 2002 to 2012 in the framework of SPARC/SSIRC. Volcanic SO2 injections by about 230 explosive volcano eruptions are estimated mostly from MIPAS limb observations. For periods of data gaps, injected SO2 is estimated indirectly from extinctions observed by GOMOS. GOMOS extinctions in the UTLS and the seasonal component of radiative forcing can be only reproduced by the model if a comprehensive treatment of desert dust and organic and black carbon is included. Upward transport of particles and gases by the Asian Monsoon appears to contribute importantly. The time series of simulated stratospheric aerosol optical depth and radiative forcing agree with the corresponding quantities derived from different satellite data sets. Comparisons of total aerosol optical depth with IASI show that tropospheric and stratospheric aerosol in the model are consistently and realistically represented.

Design and validation of inert homemade explosive simulants for X-ray-based inspection systems

NASA Astrophysics Data System (ADS)

Faust, Anthony A.; Nacson, Sabatino; Koffler, Bruce; Bourbeau, Éric; Gagne, Louis; Laing, Robin; Anderson, C. J.

2014-05-01

Transport Canada (TC), the Canadian Armed Forces, and other public security agencies have an interest in the assessment of the potential utility of advanced explosives detection technologies to aid in the detection and interdiction of commercial grade, military grade, and homemade or improvised explosives (HME or IE). The availability of suitable, non-hazardous, non-toxic, explosive simulants is of concern when assessing the potential utility of such detection systems. Lack of simulants limits the training opportunities, and ultimately the detection probability, of security personnel using these systems. While simulants for commercial and military grade explosives are available for a wide variety of detection technologies, the design and production of materials to simulate improvised explosives has not kept pace with this emerging threat. Funded by TC and the Canadian Safety and Security Program, Defence Research and Development Canada (DRDC), Visiontec Systems, and Optosecurity engaged in an effort to develop inert, non-toxic Xray interrogation simulants for IE materials such as ammonium nitrate, potassium chlorate, and triacetone triperoxide. These simulants were designed to mimic key X-ray interrogation-relevant material properties of real improvised explosives, principally their bulk density and effective atomic number. Different forms of the simulants were produced and tested, simulating the different explosive threat formulations that could be encountered by front line security workers. These simulants comply with safety and stability requirements, and as best as possible match form and homogeneity. This paper outlines the research program, simulant design, and validation.

Multidimensional simulations of core-collapse supernovae with CHIMERA

NASA Astrophysics Data System (ADS)

Lentz, Eric J.; Bruenn, S. W.; Yakunin, K.; Endeve, E.; Blondin, J. M.; Harris, J. A.; Hix, W. R.; Marronetti, P.; Messer, O. B.; Mezzacappa, A.

2014-01-01

Core-collapse supernovae are driven by a multidimensional neutrino radiation hydrodynamic (RHD) engine, and full simulation requires at least axisymmetric (2D) and ultimately symmetry-free 3D RHD simulation. We present recent and ongoing work with our multidimensional RHD supernova code CHIMERA to understand the nature of the core-collapse explosion mechanism and its consequences. Recently completed simulations of 12-25 solar mass progenitors(Woosley & Heger 2007) in well resolved (0.7 degrees in latitude) 2D simulations exhibit robust explosions meeting the observationally expected explosion energy. We examine the role of hydrodynamic instabilities (standing accretion shock instability, neutrino driven convection, etc.) on the explosion dynamics and the development of the explosion energy. Ongoing 3D and 2D simulations examine the role that simulation resolution and the removal of the imposed axisymmetry have in the triggering and development of an explosion from stellar core collapse. Companion posters will explore the gravitational wave signals (Yakunin et al.) and nucleosynthesis (Harris et al.) of our simulations.

Computational Study of 3-D Hot-Spot Initiation in Shocked Insensitive High-Explosive

NASA Astrophysics Data System (ADS)

Najjar, F. M.; Howard, W. M.; Fried, L. E.

2011-06-01

High explosive shock sensitivity is controlled by a combination of mechanical response, thermal properties, and chemical properties. The interplay of these physical phenomena in realistic condensed energetic materials is currently lacking. A multiscale computational framework is developed investigating hot spot (void) ignition in a single crystal of an insensitive HE, TATB. Atomistic MD simulations are performed to provide the key chemical reactions and these reaction rates are used in 3-D multiphysics simulations. The multiphysics code, ALE3D, is linked to the chemistry software, Cheetah, and a three-way coupled approach is pursued including hydrodynamics, thermal and chemical analyses. A single spherical air bubble is embedded in the insensitive HE and its collapse due to shock initiation is evolved numerically in time; while the ignition processes due chemical reactions are studied. Our current predictions showcase several interesting features regarding hot spot dynamics including the formation of a ``secondary'' jet. Results obtained with hydro-thermo-chemical processes leading to ignition growth will be discussed for various pore sizes and different shock pressures. LLNL-ABS-471438. This work performed under the auspices of the U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344.

The physics, chemistry and dynamics of explosions.

PubMed

Oran, Elaine S; Williams, Forman A

2012-02-13

The motivation for devoting a Theme Issue to explosions is discussed. As subsequent articles in the issue are written with the assumption that the reader has had a certain amount of previous exposure to the subject, some of the history and necessary background information are presented here. The topics on explosions that will be encountered in the remaining articles are previewed. Finally, several important future outstanding research problems, beyond those addressed in the following articles, are discussed, with the objective of complementing the coverage of explosions in this issue.

Chemistry resolved kinetic flow modeling of TATB based explosives

NASA Astrophysics Data System (ADS)

Vitello, Peter; Fried, Laurence E.; William, Howard; Levesque, George; Souers, P. Clark

2012-03-01

Detonation waves in insensitive, TATB-based explosives are believed to have multiple time scale regimes. The initial burn rate of such explosives has a sub-microsecond time scale. However, significant late-time slow release in energy is believed to occur due to diffusion limited growth of carbon. In the intermediate time scale concentrations of product species likely change from being in equilibrium to being kinetic rate controlled. We use the thermo-chemical code CHEETAH linked to an ALE hydrodynamics code to model detonations. We term our model chemistry resolved kinetic flow, since CHEETAH tracks the time dependent concentrations of individual species in the detonation wave and calculates EOS values based on the concentrations. We present here two variants of our new rate model and comparison with hot, ambient, and cold experimental data for PBX 9502.

Real fuel effects on flame extinction and re-ignition

NASA Astrophysics Data System (ADS)

Zhao, Xinyu; Wu, Bifen; Xu, Chao; Lu, Tianfeng; Chen, Jacqueline H.

2016-11-01

Flame-vortex interactions have significant implications in studying combustion in practical aeronautical engines, and can be used to facilitate the model development in capturing local extinction and re-ignition. To study the interactions between the complex fuel and the intense turbulence that are commonly encountered in engines, direct numerical simulations of the interactions between a flame and a vortex pair are carried out using a recently-developed 24-species reduced chemistry for n-dodecane. Both non-premixed and premixed flames with different initial and inlet thermochemical conditions are studied. Parametric studies of different vortex strengths and orientations are carried out to induce maximum local extinction and re-ignition. Chemical-explosive-mode-analysis based flame diagnostic tools are used to identify different modes of combustion, including auto-ignition and extinction. Results obtained from the reduced chemistry are compared with those obtained from one-step chemistry to quantify the effect of fuel pyrolysis on the extinction limit. Effects of flame curvature, heat loss and unsteadiness on flame extinction are also explored. Finally, the validity of current turbulent combustion models to capture the local extinction and re-ignition will be discussed.

A critical review of ion mobility spectrometry for the detection of explosives and explosive related compounds.

PubMed

Ewing, R G; Atkinson, D A; Eiceman, G A; Ewing, G J

2001-05-10

Ion mobility spectrometry has become the most successful and widely used technology for the detection of trace levels of nitro-organic explosives on handbags and carry on-luggage in airports throughout the US. The low detection limits are provided by the efficient ionization process, namely, atmospheric pressure chemical ionization (APCI) reactions in negative polarity. An additional level of confidence in a measurement is imparted by characterization of ions for mobilities in weak electric fields of a drift tube at ambient pressure. Findings from over 30 years of investigations into IMS response to these explosives have been collected and assessed to allow a comprehensive view of the APCI reactions characteristic of nitro-organic explosives. Also, the drift tube conditions needed to obtain particular mobility spectra have been summarized. During the past decade, improvements have occurred in IMS on the understanding of reagent gas chemistries, the influence of temperature on ion stability, and sampling methods. In addition, commercial instruments have been refined to provide fast and reliable measurements for on-site detection of explosives. The gas phase ion chemistry of most explosives is mediated by the fragile CONO(2) bonds or the acidity of protons. Thus, M(-) or M.Cl(-) species are found with only a few explosives and loss of NO(2), NO(3) and proton abstraction reactions are common and complicating pathways. However, once ions are formed, they appear to have stabilities on time scales equal to or longer than ion drift times from 5-20 ms. As such, peak shapes in IMS are suitable for high selectivity and sensitivity.

A density-adaptive SPH method with kernel gradient correction for modeling explosive welding

NASA Astrophysics Data System (ADS)

Liu, M. B.; Zhang, Z. L.; Feng, D. L.

2017-09-01

Explosive welding involves processes like the detonation of explosive, impact of metal structures and strong fluid-structure interaction, while the whole process of explosive welding has not been well modeled before. In this paper, a novel smoothed particle hydrodynamics (SPH) model is developed to simulate explosive welding. In the SPH model, a kernel gradient correction algorithm is used to achieve better computational accuracy. A density adapting technique which can effectively treat large density ratio is also proposed. The developed SPH model is firstly validated by simulating a benchmark problem of one-dimensional TNT detonation and an impact welding problem. The SPH model is then successfully applied to simulate the whole process of explosive welding. It is demonstrated that the presented SPH method can capture typical physics in explosive welding including explosion wave, welding surface morphology, jet flow and acceleration of the flyer plate. The welding angle obtained from the SPH simulation agrees well with that from a kinematic analysis.

Computer simulation of explosion crater in dams with different buried depths of explosive

NASA Astrophysics Data System (ADS)

Zhang, Zhichao; Ye, Longzhen

2018-04-01

Based on multi-material ALE method, this paper conducted a computer simulation on the explosion crater in dams with different buried depths of explosive using LS-DYNA program. The results turn out that the crater size increases with the increase of buried depth of explosive at first, but closed explosion cavity rather than a visible crater is formed when the buried depth of explosive increases to some extent. The soil in the explosion cavity is taken away by the explosion products and the soil under the explosion cavity is compressed with its density increased. The research can provide some reference for the anti-explosion design of dams in the future.

ADVANCES IN GREEN CHEMISTRY: CHEMICAL SYNTHESES USING MICROWAVE IRRADIATION, ISBN 81-901238-5-8

EPA Science Inventory

16. Abstract Advances in Green Chemistry: Chemical Syntheses Using Microwave Irradiation
Microwave-accelerated chemical syntheses in solvents as well as under solvent-free conditions have witnessed an explosive growth. The technique has found widespread application predomi...

Hypersonic and Unsteady Flow Science Issues for Explosively Formed Penetrators

DTIC Science & Technology

2006-08-01

under going real- time dynamic deformation. ACCOMPLISHMENTS/RESULTS • Completed initial assessment of flow chemistry • Completed initial stability... flow chemistry during rapid deformation •Cannot use static boundary conditions in CFD codes •Interfaces one approach to coupling with hydrocodes

Photoactive high explosives: linear and nonlinear photochemistry of petrin tetrazine chloride.

PubMed

Greenfield, Margo T; McGrane, Shawn D; Bolme, Cindy A; Bjorgaard, Josiah A; Nelson, Tammie R; Tretiak, Sergei; Scharff, R Jason

2015-05-21

Pentaerythritol tetranitrate (PETN), a high explosive, initiates with traditional shock and thermal mechanisms. In this study, the tetrazine-substituted derivative of PETN, pentaerythritol trinitrate chlorotetrazine (PetrinTzCl), is being investigated for a photochemical initiation mechanism that could allow control over the chemistry contributing to decomposition leading to initiation. PetrinTzCl exhibits a photochemical quantum yield (QYPC) at 532 nm not evident with PETN. Using static spectroscopic methods, we observe energy absorption on the tetrazine (Tz) ring that results in photodissociation yielding N2, Cl-CN, and Petrin-CN as the major photoproducts. The QYPC was enhanced with increasing irradiation intensity. Experiment and theoretical calculations imply this excitation mechanism follows sequential photon absorption. Dynamic simulations demonstrate that the relaxation mechanism leading to the observed photochemistry in PetrinTzCl is due to vibrational excitation during internal conversion. PetrinTzCl's single photon stability and intensity dependence suggest this material could be stable in ambient lighting, yet possible to initiate with short-pulsed lasers.

Three dimensional core-collapse supernova simulated using a 15 M ⊙ progenitor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lentz, Eric J.; Bruenn, Stephen W.; Hix, W. Raphael

We have performed ab initio neutrino radiation hydrodynamics simulations in three and two spatial dimensions (3D and 2D) of core-collapse supernovae from the same 15 M⊙ progenitor through 440 ms after core bounce. Both 3D and 2D models achieve explosions; however, the onset of explosion (shock revival) is delayed by ~100 ms in 3D relative to the 2D counterpart and the growth of the diagnostic explosion energy is slower. This is consistent with previously reported 3D simulations utilizing iron-core progenitors with dense mantles. In the ~100 ms before the onset of explosion, diagnostics of neutrino heating and turbulent kinetic energymore » favor earlier explosion in 2D. During the delay, the angular scale of convective plumes reaching the shock surface grows and explosion in 3D is ultimately lead by a single, large-angle plume, giving the expanding shock a directional orientation not dissimilar from those imposed by axial symmetry in 2D simulations. Finally, we posit that shock revival and explosion in the 3D simulation may be delayed until sufficiently large plumes form, whereas such plumes form more rapidly in 2D, permitting earlier explosions.« less

Three dimensional core-collapse supernova simulated using a 15 M ⊙ progenitor

DOE PAGES

Lentz, Eric J.; Bruenn, Stephen W.; Hix, W. Raphael; ...

2015-07-10

We have performed ab initio neutrino radiation hydrodynamics simulations in three and two spatial dimensions (3D and 2D) of core-collapse supernovae from the same 15 M⊙ progenitor through 440 ms after core bounce. Both 3D and 2D models achieve explosions; however, the onset of explosion (shock revival) is delayed by ~100 ms in 3D relative to the 2D counterpart and the growth of the diagnostic explosion energy is slower. This is consistent with previously reported 3D simulations utilizing iron-core progenitors with dense mantles. In the ~100 ms before the onset of explosion, diagnostics of neutrino heating and turbulent kinetic energymore » favor earlier explosion in 2D. During the delay, the angular scale of convective plumes reaching the shock surface grows and explosion in 3D is ultimately lead by a single, large-angle plume, giving the expanding shock a directional orientation not dissimilar from those imposed by axial symmetry in 2D simulations. Finally, we posit that shock revival and explosion in the 3D simulation may be delayed until sufficiently large plumes form, whereas such plumes form more rapidly in 2D, permitting earlier explosions.« less

A reactive flow model with coupled reaction kinetics for detonation and combustion in non-ideal explosives

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, P.J.

1996-07-01

A new reactive flow model for highly non-ideal explosives and propellants is presented. These compositions, which contain large amounts of metal, upon explosion have reaction kinetics that are characteristic of both fast detonation and slow metal combustion chemistry. A reaction model for these systems was incorporated into the two-dimensional, finite element, Lagrangian hydrodynamic code, DYNA2D. A description of how to determine the model parameters is given. The use of the model and variations are applied to AP, Al, and nitramine underwater explosive and propellant systems.

How Turbulence Enables Core-collapse Supernova Explosions

NASA Astrophysics Data System (ADS)

Mabanta, Quintin A.; Murphy, Jeremiah W.

2018-03-01

An important result in core-collapse supernova (CCSN) theory is that spherically symmetric, one-dimensional simulations routinely fail to explode, yet multidimensional simulations often explode. Numerical investigations suggest that turbulence eases the condition for explosion, but how it does it is not fully understood. We develop a turbulence model for neutrino-driven convection, and show that this turbulence model reduces the condition for explosions by about 30%, in concordance with multidimensional simulations. In addition, we identify which turbulent terms enable explosions. Contrary to prior suggestions, turbulent ram pressure is not the dominant factor in reducing the condition for explosion. Instead, there are many contributing factors, with ram pressure being only one of them, but the dominant factor is turbulent dissipation (TD). Primarily, TD provides extra heating, adding significant thermal pressure and reducing the condition for explosion. The source of this TD power is turbulent kinetic energy, which ultimately derives its energy from the higher potential of an unstable convective profile. Investigating a turbulence model in conjunction with an explosion condition enables insight that is difficult to glean from merely analyzing complex multidimensional simulations. An explosion condition presents a clear diagnostic to explain why stars explode, and the turbulence model allows us to explore how turbulence enables explosion. Although we find that TD is a significant contributor to successful supernova explosions, it is important to note that this work is to some extent qualitative. Therefore, we suggest ways to further verify and validate our predictions with multidimensional simulations.

"Fooling fido"--chemical and behavioral studies of pseudo-explosive canine training aids.

PubMed

Kranz, William D; Strange, Nicholas A; Goodpaster, John V

2014-12-01

Genuine explosive materials are traditionally employed in the training and testing of explosive-detecting canines so that they will respond reliably to these substances. However, challenges arising from the acquisition, storage, handling, and transportation of explosives have given rise to the development of "pseudo-explosive" training aids. These products attempt to emulate the odor of real explosives while remaining inert. Therefore, a canine trained on a pseudo-explosive should respond to its real-life analog. Similarly, a canine trained on an actual explosive should respond to the pseudo-explosive as if it was real. This research tested those assumptions with a focus on three explosives: single-base smokeless powder, 2,4,6-trinitrotoluene (TNT), and a RDX-based plastic explosive (Composition C-4). Using gas chromatography-mass spectrometry with solid phase microextraction as a pre-concentration technique, we determined that the volatile compounds given off by pseudo-explosive products consisted of various solvents, known additives from explosive formulations, and common impurities present in authentic explosives. For example, simulated smokeless powders emitted terpenes, 2,4-dinitrotoluene, diphenylamine, and ethyl centralite. Simulated TNT products emitted 2,4- and 2,6-dinitrotoluene. Simulated C-4 products emitted cyclohexanone, 2-ethyl-1-hexanol, and dimethyldinitrobutane. We also conducted tests to determine whether canines trained on pseudo-explosives are capable of alerting to genuine explosives and vice versa. The results show that canines trained on pseudo-explosives performed poorly at detecting all but the pseudo-explosives they are trained on. Similarly, canines trained on actual explosives performed poorly at detecting all but the actual explosives on which they were trained.

Characterization and remediation of Soil Contaminated with Explosives: Development of Practical Technologies

DTIC Science & Technology

2001-07-06

Chemistry Agnes Renoux, Ph.D. Ecotoxicology Bernard Lachance, Ph. D. Ecotoxicology Ping Gong, Ph. D. Ecotoxicology Pierre-Yves Robidoux, Ph.D... Ecotoxicology Tamara Sheremata, Ph. D. Env. Engineering Diane Fournier, Ph.D. Microbiology Annamaria Halasz, M.Sc. Chemistry Louise Paquet, B.Sc...12 Chapter 4: Applied Ecotoxicology

Direct Quantum Mechanical Simulations of Shocked Energetic Materials

DTIC Science & Technology

2008-12-01

dynamics (QMD) simulations of shocked pentaerythritol tetranitrate (PETN), a conventional high explosive , and the polymeric cubic gauche phase of...nitrogen (cg-N), proposed as an environmentally acceptable energetic alternative to conventional explosive formulations. These simulations, made...stored structural potential energy can be liberated quickly enough, it is possible that explosion can occur with energies several orders of magnitude

Portable thin layer chromatography for field detection of explosives and propellants

NASA Astrophysics Data System (ADS)

Satcher, Joe H.; Maienschein, Jon L.; Pagoria, Philip F.; Racoveanu, Ana; Carman, M. Leslie; Whipple, Richard E.; Reynolds, John G.

2012-06-01

A field deployable detection kit for explosives and propellants using thin layer chromatography (TLC) has been developed at Lawrence Livermore National Laboratory (LLNL). The chemistry of the kit has been modified to allow for field detection of propellants (through propellant stabilizers), military explosives, peroxide explosives, nitrates and inorganic oxidizer precursors. For many of these target analytes, the detection limit is in the μg to pg range. A new miniaturized, bench prototype, field portable TLC (Micro TLC) kit has also been developed for the detection and identification of common military explosives. It has been demonstrated in a laboratory environment and is ready for field-testing. The kit is comprised of a low cost set of commercially available components specifically assembled for rapid identification needed in the field and identifies the common military explosives: HMX, RDX, Tetryl, Explosive D or picric acid, and TNT all on one plate. Additional modifications of the Micro TLC system have been made with fluorescent organosilicon co-polymer coatings to detect a large suite of explosives.

Numerical Simulation of the Detonation of Condensed Explosives

NASA Astrophysics Data System (ADS)

Wang, Cheng; Ye, Ting; Ning, Jianguo

Detonation process of a condensed explosive was simulated using a finite difference method. Euler equations were applied to describe the detonation flow field, an ignition and growth model for the chemical reaction and Jones-Wilkins-Lee (JWL) equations of state for the state of explosives and detonation products. Based on the simple mixture rule that assumes the reacting explosives to be a mixture of the reactant and product components, 1D and 2D codes were developed to simulate the detonation process of high explosive PBX9404. The numerical results are in good agreement with the experimental results, which demonstrates that the finite difference method, mixture rule and chemical reaction proposed in this paper are adequate and feasible.

Airblast Simulator Studies.

DTIC Science & Technology

1984-02-01

RAREFACTION WAVE ELIMINATOR CONSIDERATIONS 110 5.1 FLIP CALCULATIONS 110 5.2 A PASSIVE/ACTIVE RWE 118 6 DISTRIBUTED FUEL AIR EXPLOSIVES 120 REFERENCES 123 TA...conventional and distributed-charge fuel- air explosive charges used in a study of the utility of distributed charge FAE systems for blast simulation. The...limited investigation of distributed charge fuel air explosive configurations for blast simulator applications. During the course of this study

Process for preparing energetic materials

DOEpatents

Simpson, Randall L [Livermore, CA; Lee, Ronald S [Livermore, CA; Tillotson, Thomas M [Tracy, CA; Hrubesh, Lawrence W [Pleasanton, CA; Swansiger, Rosalind W [Livermore, CA; Fox, Glenn A [Livermore, CA

2011-12-13

Sol-gel chemistry is used for the preparation of energetic materials (explosives, propellants and pyrotechnics) with improved homogeneity, and/or which can be cast to near-net shape, and/or made into precision molding powders. The sol-gel method is a synthetic chemical process where reactive monomers are mixed into a solution, polymerization occurs leading to a highly cross-linked three dimensional solid network resulting in a gel. The energetic materials can be incorporated during the formation of the solution or during the gel stage of the process. The composition, pore, and primary particle sizes, gel time, surface areas, and density may be tailored and controlled by the solution chemistry. The gel is then dried using supercritical extraction to produce a highly porous low density aerogel or by controlled slow evaporation to produce a xerogel. Applying stress during the extraction phase can result in high density materials. Thus, the sol-gel method can be used for precision detonator explosive manufacturing as well as producing precision explosives, propellants, and pyrotechnics, along with high power composite energetic materials.

Sol-Gel Manufactured Energetic Materials

DOEpatents

Simpson, Randall L.; Lee, Ronald S.; Tillotson, Thomas M.; Hrubesh, Lawrence W.; Swansiger, Rosalind W.; Fox, Glenn A.

2005-05-17

Sol-gel chemistry is used for the preparation of energetic materials (explosives, propellants and pyrotechnics) with improved homogeneity, and/or which can be cast to near-net shape, and/or made into precision molding powders. The sol-gel method is a synthetic chemical process where reactive monomers are mixed into a solution, polymerization occurs leading to a highly cross-linked three dimensional solid network resulting in a gel. The energetic materials can be incorporated during the formation of the solution or during the gel stage of the process. The composition, pore, and primary particle sizes, gel time, surface areas, and density may be tailored and controlled by the solution chemistry. The gel is then dried using supercritical extraction to produce a highly porous low density aerogel or by controlled slow evaporation to produce a xerogel. Applying stress during the extraction phase can result in high density materials. Thus, the sol-gel method can be used for precision detonator explosive manufacturing as well as producing precision explosives, propellants, and pyrotechnics, along with high power composite energetic materials.

Sol-gel manufactured energetic materials

DOEpatents

Simpson, Randall L.; Lee, Ronald S.; Tillotson, Thomas M.; Hrubesh, Lawrence W.; Swansiger, Rosalind W.; Fox, Glenn A.

2003-12-23

Sol-gel chemistry is used for the preparation of energetic materials (explosives, propellants and pyrotechnics) with improved homogeneity, and/or which can be cast to near-net shape, and/or made into precision molding powders. The sol-gel method is a synthetic chemical process where reactive monomers are mixed into a solution, polymerization occurs leading to a highly cross-linked three dimensional solid network resulting in a gel. The energetic materials can be incorporated during the formation of the solution or during the gel stage of the process. The composition, pore, and primary particle sizes, gel time, surface areas, and density may be tailored and controlled by the solution chemistry. The gel is then dried using supercritical extraction to produce a highly porous low density aerogel or by controlled slow evaporation to produce a xerogel. Applying stress during the extraction phase can result in high density materials. Thus, the sol-gel method can be used for precision detonator explosive manufacturing as well as producing precision explosives, propellants, and pyrotechnics, along with high power composite energetic materials.

A molecular dynamics simulation of solvent effects on the crystal morphology of HMX.

PubMed

Duan, Xiaohui; Wei, Chunxue; Liu, Yonggang; Pei, Chonghua

2010-02-15

The solvent has a large effect on the crystal morphology of the organic explosive compound octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX, C(4)H(8)N(8)O(8)). The attachment energy calculations predict a growth morphology in vacuum dominated by (020), (011), (102 ), (111 ) and (100) crystal forms. Molecular dynamics simulations are performed for these crystal faces of HMX in contact with acetone solvent. A corrected attachment energy model, accounting for the surface chemistry and the associated topography (step structure) of the habit crystal plane, is applied to predict the morphological importance of a crystal surface in solvent. From the solvent-effected attachment energy calculations it follows that the (100) face becomes morphologically more important compared with that in vacuum, while the (020) and (102 ) are not visible at all. This agrees well with the observed experimental HMX morphology grown from the acetone solution.

Simulations of the modified gap experiment

NASA Astrophysics Data System (ADS)

Sutherland, Gerrit T.; Benjamin, Richard; Kooker, Douglas

2017-01-01

Modified gap experiment (test) hydrocode simulations predict the trends seen in experimental excess free surface velocity versus input pressure curves for explosives with both large and modest failure diameters. Simulations were conducted for explosive "A", an explosive with a large failure diameter, and for cast TNT, which has a modest failure diameter. Using the best available reactive rate models, the simulations predicted sustained ignition thresholds similar to experiment. This is a threshold where detonation is likely given a long enough run distance. For input pressures greater than the sustained ignition threshold pressure, the simulations predicted too little velocity for explosive "A" and too much velocity for TNT. It was found that a better comparison of experiment and simulation requires additional experimental data for both explosives. It was observed that the choice of reactive rate model for cast TNT can lead to large differences in the predicted modified gap experiment result. The cause of the difference is that the same data was not used to parameterize both models; one set of data was more shock reactive than the other.

Turbocharged molecular discovery of OLED emitters: from high-throughput quantum simulation to highly efficient TADF devices

NASA Astrophysics Data System (ADS)

Gómez-Bombarelli, Rafael; Aguilera-Iparraguirre, Jorge; Hirzel, Timothy D.; Ha, Dong-Gwang; Einzinger, Markus; Wu, Tony; Baldo, Marc A.; Aspuru-Guzik, Alán.

2016-09-01

Discovering new OLED emitters requires many experiments to synthesize candidates and test performance in devices. Large scale computer simulation can greatly speed this search process but the problem remains challenging enough that brute force application of massive computing power is not enough to successfully identify novel structures. We report a successful High Throughput Virtual Screening study that leveraged a range of methods to optimize the search process. The generation of candidate structures was constrained to contain combinatorial explosion. Simulations were tuned to the specific problem and calibrated with experimental results. Experimentalists and theorists actively collaborated such that experimental feedback was regularly utilized to update and shape the computational search. Supervised machine learning methods prioritized candidate structures prior to quantum chemistry simulation to prevent wasting compute on likely poor performers. With this combination of techniques, each multiplying the strength of the search, this effort managed to navigate an area of molecular space and identify hundreds of promising OLED candidate structures. An experimentally validated selection of this set shows emitters with external quantum efficiencies as high as 22%.

The numerical methods for the development of the mixture region in the vapor explosion simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Y.; Ohashi, H.; Akiyama, M.

An attempt to numerically simulate the process of the vapor explosion with a general multi-component and multi-dimension code is being challenged. Because of the rapid change of the flow field and extremely nonuniform distribution of the components in the system of the vapor explosion, the numerical divergence and diffusion are subject to occur easily. A dispersed component model and a multiregion scheme, by which these difficulties can be effectively overcome, were proposed. The simulations have been performed for the processes of the premixing and the fragmentation propagation in the vapor explosion.

Thermonuclear Explosions from Hybrid C/O/Ne White Dwarf Progenitors Ignited Centrally After Interior Mixing

NASA Astrophysics Data System (ADS)

Augustine, Carlyn

2018-01-01

Type Ia Supernovae are thermonuclear explosions of white dwarf (WD) stars. Past studies predict the existence of "hybrid" white dwarfs, made of a C/O/Ne core with a O/Ne shell, and that these are viable progenitors for supernovae. More recent work found that the C/O core is mixed with the surrounding O/Ne while the WD cools. Inspired by this scenario, we performed simulations of thermonuclear supernovae in the single degenerate paradigm from these hybrid progenitors. Our investigation began by constructing a hybrid white dwarf model with the one-dimensional stellar evolution code MESA. The model was allowed to go through unstable interior mixing ignite carbon burning centrally. The MESA model was then mapped to a two-dimensional initial condition and an explosion simulated from that with FLASH. For comparison, a similar simulation of an explosion was performed from a traditional C/O progenitor WD. Comparing the yields produced by explosion simulations allows us to determine which model produces more 56Ni, and therefore brighter events, and how explosions from these models differ from explosions from previous models without the mixing during the WD cooling.

Simulations of multi-component explosives using simplified geometric arrangements of their constituents

NASA Astrophysics Data System (ADS)

Butler, George; Pemberton, Steven

2017-06-01

Modeling and simulation is extremely important in the design and formulation of new explosives and explosive devices due to the high cost of experiment-based development. However, the efficacy of simulations depends on the accuracy of the equations of state (EOS) and reactive burn models used to characterize the energetic materials. We investigate the possibility of using the components of an explosive fill as discrete elements in a simulation, based on the relative amounts of the constituents. This is accomplished by assembling a mosaic, or ``checkerboard'', in which each cell comprises the relative amounts of the constituents as in the mixture; it is assumed that each constituent has a well-defined set of simulation parameters. We do not consider the underlying microstructure, and recognize there will be limitations to the usefulness of this technique. We are interested in determining whether there are applications for this technique that might prove useful. As a test of the concept, two binary explosives were considered. We considered shapes for a periodic cellular structure and compared results from the checkerboards with those of the baseline explosives; detonation rates, cylinder expansion, and gap test predictions were compared.

Characterization of High Explosives and Other Energetic Compounds by Computational Chemistry and Molecular Modeling: Experiments for Undergraduate Curriculum

ERIC Educational Resources Information Center

Bumpus, John A.; Lewis, Anne; Stotts, Corey; Cramer, Christopher J.

2007-01-01

Experiments suited for the undergraduate instructional laboratory in which the heats of formation of several aliphatic and aromatic compounds are calculated, are described. The experiments could be used to introduce students to commercially available computational chemistry and its thermodynamics, while assess and compare the energy content of…

Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives – A Review of Our Computational Chemistry and Spectroscopic Research

PubMed Central

Qasim, Mohammad M.; Moore, Brett; Taylor, Lyssa; Honea, Patricia; Gorb, Leonid; Leszczynski, Jerzy

2007-01-01

Although much has been discovered, discussed and written as to problems of contamination by various military unique compounds, particularly by the nitrogen based energetics (NOCs), remaining problems dictate further evaluation of actual and potential risk to the environment by these energetics and their derivatives and metabolites through determination of their environmental impact—transport, fate and toxicity. This work comprises an effort to understand structural relationships and degradation mechanisms of current and emerging explosives, including nitroaromatic; cyclic and cage cyclic nitramine; and a nitrocubane. This review of our computational chemistry and spectroscopic research describes and compares competitive degradation mechanisms by free radical oxidative, reductive and alkali hydrolysis, relating them, when possible, to environmental risk.

2010 Joint Chemical Biological Radiological Nuclear (CBRN) Conference and Exhibition (BRIEFING CHARTS)

DTIC Science & Technology

2010-06-24

control Defensive Test Chamber • Certified for Chem-Bio simulants • Man-in-simulant (MIST) testing Bang Box • Explosive material synthesis and testing...Explosive material synthesis and testing Bang Box –Peroxide Explosives Properties – HMTD, TATP, DADP –Peroxide Explosives as Initiators –TATP... Synthesis –HMTD Synthesis –RDX Synthesis –ANFO Mixture Mustang VILLAGE Approved for public release; distribution is unlimited. • Hotel, Post Office

Simulation of the initial stage of the Mt. Pinatubo eruption using the coupled meteorology-chemistry WRF-Chem model

NASA Astrophysics Data System (ADS)

Stenchikov, Georgiy; Ukhov, Alexander; Ahmadov, Ravan

2017-04-01

Big explosive volcanic eruptions emit in the atmosphere, among other species, millions of tons of SO2, water vapor, and solid particles, volcanic ash. SO2 is oxidized to produce sulfate aerosols that are transported globally and cause widespread long-term climate effects. Ash particles deposit within a few months, as they are relatively large, and, it is believed, do not produce long-term climate effects. However, at the initial stage of the evolution of a volcanic cloud SO2, volcanic water, sulfate, and ash coexist and their chemical, microphysical, and radiation interaction might be important to precondition the long-term formation and transport of a volcanic aerosol cloud. To better understand this initial stage of a volcanic impact we simulate the aerosol plume from the largest 20th-century eruption of Mt. Pinatubo in the Philippines in June 1991 using the specifically modified Weather Research and Forecasting model coupled with chemistry (WRF-Chem). Ash, SO2, and sulfate emission, transport, dispersion, chemical transformation and deposition are calculated using the GOCART aerosol and chemistry scheme. Effect of volcanic aerosol interaction with radiation (short and long wave) is assessed using RRTMG radiative transfer model. The simulations are conducted for two months in the equatorial belt (45S, 45N) with the periodic boundary conditions in longitude and imposing aerosols and chemicals from the MERRA2, and meteorology from the ERA-Interim along the belt's borders in latitude. The simulations reveal the vertical separation of the aerosol plume due to aerosol (both ash and sulfate) gravitational settling and a complex dynamic evolution of the multi-layer cloud with sharp gradients of radiative heating within the plume that affects the cloud dispersion and the equilibrium altitude that are crucially important for the further large-scale plume evolution.

Reactive Flow Modeling of Liquid Explosives via ALE3D/Cheetah Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuo, I W; Bastea, S; Fried, L E

2010-03-10

We carried out reactive flow simulations of liquid explosives such as nitromethane using the hydrodynamic code ALE3D coupled with equations of state and reaction kinetics modeled by the thermochemical code Cheetah. The simulation set-up was chosen to mimic cylinder experiments. For pure unconfined nitromethane we find that the failure diameter and detonation velocity dependence on charge diameter are in agreement with available experimental results. Such simulations are likely to be useful for determining detonability and failure behavior for a wide range of experimental conditions and explosive compounds.

Contributed review: quantum cascade laser based photoacoustic detection of explosives.

PubMed

Li, J S; Yu, B; Fischer, H; Chen, W; Yalin, A P

2015-03-01

Detecting trace explosives and explosive-related compounds has recently become a topic of utmost importance for increasing public security around the world. A wide variety of detection methods and an even wider range of physical chemistry issues are involved in this very challenging area. Optical sensing methods, in particular mid-infrared spectrometry techniques, have a great potential to become a more desirable tools for the detection of explosives. The small size, simplicity, high output power, long-term reliability make external cavity quantum cascade lasers (EC-QCLs) the promising spectroscopic sources for developing analytical instrumentation. This work reviews the current technical progress in EC-QCL-based photoacoustic spectroscopy for explosives detection. The potential for both close-contact and standoff configurations using this technique is completely presented over the course of approximately the last one decade.

Contributed Review: Quantum cascade laser based photoacoustic detection of explosives

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, J. S., E-mail: jingsong-li@ahu.edu.cn; Yu, B.; Fischer, H.

2015-03-15

Detecting trace explosives and explosive-related compounds has recently become a topic of utmost importance for increasing public security around the world. A wide variety of detection methods and an even wider range of physical chemistry issues are involved in this very challenging area. Optical sensing methods, in particular mid-infrared spectrometry techniques, have a great potential to become a more desirable tools for the detection of explosives. The small size, simplicity, high output power, long-term reliability make external cavity quantum cascade lasers (EC-QCLs) the promising spectroscopic sources for developing analytical instrumentation. This work reviews the current technical progress in EC-QCL-based photoacousticmore » spectroscopy for explosives detection. The potential for both close-contact and standoff configurations using this technique is completely presented over the course of approximately the last one decade.« less

The Interplay of Opacities and Rotation in Promoting the Explosion of Core-Collapse Supernovae

NASA Astrophysics Data System (ADS)

Vartanyan, David; Burrows, Adam; Radice, David

2018-01-01

For over five decades, the mechanism of explosion in core-collapse supernovae has been a central unsolved problem in astrophysics, challenging both our computational capabilities and our understanding of relevant physics. Current simulations often produce explosions, but they are at times underenergetic. The neutrino mechanism, wherein a fraction of emitted neutrinos is absorbed in the mantle of the star to reignite the stalled shock, remains the dominant model for reviving explosions in massive stars undergoing core collapse. We present here a diverse suite of 2D axisymmetric simulations produced by FORNAX, a highly parallelizable multidimensional supernova simulation code. We explore the effects of various corrections, including the many-body correction, to neutrino-matter opacities and the possible role of rotation in promoting explosion amongst various core-collapse progenitors.

Numerical Simulation of Blast Action on Civil Structures in Urban Environment

NASA Astrophysics Data System (ADS)

Valger, Svetlana A.; Fedorova, Natalya N.; Fedorov, Alexander V.

2017-10-01

Nowadays, a lot of industrial accidents accompanied by explosions are happening throughout the world. Also, increase in the number of terrorist acts committed by means of explosions is observed. For improving safety of buildings and structures it is necessary to raise their resistance to explosive effects, as well as to be able to predict degree of potential damage upon explosive loads of various intensities. One of the principal goals in designing the structure resistant to explosive effects is to determine the dynamic response of structures to the impact of the blast wave. To this end, the transient pressure loads on the walls of the civil engineering structures are to be determined. The simulation of explosion is highly complicated, involving an explosion causing the shock wave propagation in air and then interaction with a structure. The engineering-level techniques permit one to estimate an explosive shock impact only for isolated buildings. The complexity of the building, the presence of nearby structures and the surrounding environment cannot be taken into account. Advanced computer aid engineering (CAE) software techniques combined with the latest methods of discrete three-dimensional city modelling permits one to simulate and analyse the effects of explosions in urban areas with a precision which previously was not possible. In the paper, the simulation results are presented of shock wave forming due to a spherical explosive charge and its propagation in the vicinity of geometrical configuration imitating an urban environment. The numerical simulation of a flow in the vicinity of prisms of different cross-sections and heights located on a flat plate was performed. The calculations are carried out in a three-dimensional non-viscous formulation using ANSYS software. On a basis of simulation results, a complex wave structures were analysed, and all the peculiarities of flows and pressure history records on building walls were described and explained. The possibility of a correct description of the non-stationary wave flow in the vicinity of the complex of obstacles is demonstrated. The results are compared with the experimental data on the pressure distribution in gauges located on the prism walls. The estimation of shock wave exposure intensity was performed to different objects.

Monte Carlo simulation of explosive detection system based on a Deuterium-Deuterium (D-D) neutron generator.

PubMed

Bergaoui, K; Reguigui, N; Gary, C K; Brown, C; Cremer, J T; Vainionpaa, J H; Piestrup, M A

2014-12-01

An explosive detection system based on a Deuterium-Deuterium (D-D) neutron generator has been simulated using the Monte Carlo N-Particle Transport Code (MCNP5). Nuclear-based explosive detection methods can detect explosives by identifying their elemental components, especially nitrogen. Thermal neutron capture reactions have been used for detecting prompt gamma emission (10.82MeV) following radiative neutron capture by (14)N nuclei. The explosive detection system was built based on a fully high-voltage-shielded, axial D-D neutron generator with a radio frequency (RF) driven ion source and nominal yield of about 10(10) fast neutrons per second (E=2.5MeV). Polyethylene and paraffin were used as moderators with borated polyethylene and lead as neutron and gamma ray shielding, respectively. The shape and the thickness of the moderators and shields are optimized to produce the highest thermal neutron flux at the position of the explosive and the minimum total dose at the outer surfaces of the explosive detection system walls. In addition, simulation of the response functions of NaI, BGO, and LaBr3-based γ-ray detectors to different explosives is described. Copyright © 2014 Elsevier Ltd. All rights reserved.

Multi-dimensional simulations of core-collapse supernova explosions with CHIMERA

NASA Astrophysics Data System (ADS)

Messer, O. E. B.; Harris, J. A.; Hix, W. R.; Lentz, E. J.; Bruenn, S. W.; Mezzacappa, A.

2018-04-01

Unraveling the core-collapse supernova (CCSN) mechanism is a problem that remains essentially unsolved despite more than four decades of effort. Spherically symmetric models with otherwise high physical fidelity generally fail to produce explosions, and it is widely accepted that CCSNe are inherently multi-dimensional. Progress in realistic modeling has occurred recently through the availability of petascale platforms and the increasing sophistication of supernova codes. We will discuss our most recent work on understanding neutrino-driven CCSN explosions employing multi-dimensional neutrino-radiation hydrodynamics simulations with the Chimera code. We discuss the inputs and resulting outputs from these simulations, the role of neutrino radiation transport, and the importance of multi-dimensional fluid flows in shaping the explosions. We also highlight the production of 48Ca in long-running Chimera simulations.

46 CFR 194.15-3 - Responsibility.

Code of Federal Regulations, 2014 CFR

2014-10-01

... CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194... scientific party embarked may supervise the safety and operation of the chemical laboratory. (b) The...

46 CFR 194.15-3 - Responsibility.

Code of Federal Regulations, 2012 CFR

2012-10-01

... CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194... scientific party embarked may supervise the safety and operation of the chemical laboratory. (b) The...

Comparative simulation of switching regimes of magnetic explosion generators by copper and aluminum magnetodynamic current breakers taking into account elastoplastic properties of materials

NASA Astrophysics Data System (ADS)

Bazanov, A. A.; Ivanovskii, A. V.; Panov, A. I.; Samodolov, A. V.; Sokolov, S. S.; Shaidullin, V. Sh.

2017-06-01

We report on the results of the computer simulation of the operation of magnetodynamic break switches used as the second stage of current pulse formation in magnetic explosion generators. The simulation was carried out under the conditions when the magnetic field energy density on the surface of the switching conductor as a function of the current through it was close to but still did not exceed the critical value typical of the beginning of electric explosion. In the computational model, we used the parameters of experimentally tested sample of a coil magnetic explosion generator that can store energy of up to 2.7 MJ in the inductive storage circuit and equipped with a primary explosion stage of the current pulse formation. It has been shown that the choice of the switching conductor material, as well as its elastoplastic properties, considerably affects the breaker speed. Comparative results of computer simulation for copper and aluminum have been considered.

The development of explosions in axisymmetric ab initio core-collapse supernova simulations of 12–25 M ⊙ stars

DOE PAGES

Bruenn, Stephen W.; Lentz, Eric J.; Hix, William Raphael; ...

2016-02-16

We present four ab initio axisymmetric core-collapse supernova simulations initiated from 12, 15, 20, and 25 M⊙ zero-age main sequence progenitors. All of the simulations yield explosions and have been evolved for at least 1.2 s after core bounce and 1 s after material first becomes unbound. These simulations were computed with our Chimera code employing RbR spectral neutrino transport, special and general relativistic transport effects, and state-of-the-art neutrino interactions. Continuing the evolution beyond 1 s after core bounce allows the explosions to develop more fully and the processes involved in powering the explosions to become more clearly evident. Wemore » compute explosion energy estimates, including the negative gravitational binding energy of the stellar envelope outside the expanding shock, of 0.34, 0.88, 0.38, and 0.70 Bethe (B ≡ 10 51 erg) and increasing at 0.03, 0.15, 0.19, and 0.52 B S–1, respectively, for the 12, 15, 20, and 25 M⊙ models at the endpoint of this report. We examine the growth of the explosion energy in our models through detailed analyses of the energy sources and flows. We discuss how the explosion energies may be subject to stochastic variations as exemplfied by the effect of the explosion geometry of the 20 M⊙ model in reducing its explosion energy. We compute the proto-neutron star masses and kick velocities. In conclusion, we compare our results for the explosion energies and ejected 56Ni masses against some observational standards despite the large error bars in both models and observations.« less

The development of explosions in axisymmetric ab initio core-collapse supernova simulations of 12–25 M ⊙ stars

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bruenn, Stephen W.; Lentz, Eric J.; Hix, William Raphael

We present four ab initio axisymmetric core-collapse supernova simulations initiated from 12, 15, 20, and 25 M⊙ zero-age main sequence progenitors. All of the simulations yield explosions and have been evolved for at least 1.2 s after core bounce and 1 s after material first becomes unbound. These simulations were computed with our Chimera code employing RbR spectral neutrino transport, special and general relativistic transport effects, and state-of-the-art neutrino interactions. Continuing the evolution beyond 1 s after core bounce allows the explosions to develop more fully and the processes involved in powering the explosions to become more clearly evident. Wemore » compute explosion energy estimates, including the negative gravitational binding energy of the stellar envelope outside the expanding shock, of 0.34, 0.88, 0.38, and 0.70 Bethe (B ≡ 10 51 erg) and increasing at 0.03, 0.15, 0.19, and 0.52 B S–1, respectively, for the 12, 15, 20, and 25 M⊙ models at the endpoint of this report. We examine the growth of the explosion energy in our models through detailed analyses of the energy sources and flows. We discuss how the explosion energies may be subject to stochastic variations as exemplfied by the effect of the explosion geometry of the 20 M⊙ model in reducing its explosion energy. We compute the proto-neutron star masses and kick velocities. In conclusion, we compare our results for the explosion energies and ejected 56Ni masses against some observational standards despite the large error bars in both models and observations.« less

The application of single particle aerosol mass spectrometry for the detection and identification of high explosives and chemical warfare agents

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martin, Audrey Noreen

2006-01-01

Single Particle Aerosol Mass Spectrometry (SPAMS) was evaluated as a real-time detection technique for single particles of high explosives. Dual-polarity time-of-flight mass spectra were obtained for samples of 2,4,6-trinitrotoluene (TNT), 1,3,5-trinitro-1,3,5-triazinane (RDX), and pentaerythritol tetranitrate (PETN); peaks indicative of each compound were identified. Composite explosives, Comp B, Semtex 1A, and Semtex 1H were also analyzed, and peaks due to the explosive components of each sample were present in each spectrum. Mass spectral variability with laser fluence is discussed. The ability of the SPAMS system to identify explosive components in a single complex explosive particle (~1 pg) without the need formore » consumables is demonstrated. SPAMS was also applied to the detection of Chemical Warfare Agent (CWA) simulants in the liquid and vapor phases. Liquid simulants for sarin, cyclosarin, tabun, and VX were analyzed; peaks indicative of each simulant were identified. Vapor phase CWA simulants were adsorbed onto alumina, silica, Zeolite, activated carbon, and metal powders which were directly analyzed using SPAMS. The use of metal powders as adsorbent materials was especially useful in the analysis of triethyl phosphate (TEP), a VX stimulant, which was undetectable using SPAMS in the liquid phase. The capability of SPAMS to detect high explosives and CWA simulants using one set of operational conditions is established.« less

Supernova simulations from a 3D progenitor model - Impact of perturbations and evolution of explosion properties

NASA Astrophysics Data System (ADS)

Müller, Bernhard; Melson, Tobias; Heger, Alexander; Janka, Hans-Thomas

2017-11-01

We study the impact of large-scale perturbations from convective shell burning on the core-collapse supernova explosion mechanism using 3D multigroup neutrino hydrodynamics simulations of an 18M⊙ progenitor. Seed asphericities in the O shell, obtained from a recent 3D model of O shell burning, help trigger a neutrino-driven explosion 330 ms after bounce whereas the shock is not revived in a model based on a spherically symmetric progenitor for at least another 300 ms. We tentatively infer a reduction of the critical luminosity for shock revival by ˜ 20 {per cent} due to pre-collapse perturbations. This indicates that convective seed perturbations play an important role in the explosion mechanism in some progenitors. We follow the evolution of the 18M⊙ model into the explosion phase for more than 2 s and find that the cycle of accretion and mass ejection is still ongoing at this stage. With a preliminary value of 7.7 × 1050 erg for the diagnostic explosion energy, a baryonic neutron star mass of 1.85M⊙, a neutron star kick of ˜ 600 km s^{-1} and a neutron star spin period of ˜ 20 ms at the end of the simulation, the explosion and remnant properties are slightly atypical, but still lie comfortably within the observed distribution. Although more refined simulations and a larger survey of progenitors are still called for, this suggests that a solution to the problem of shock revival and explosion energies in the ballpark of observations is within reach for neutrino-driven explosions in 3D.

Laser-induced plasma chemistry of the explosive RDX with various metallic nanoparticles.

PubMed

Gottfried, Jennifer L

2012-03-01

The feasibility of exploiting plasma chemistry to study the chemical reactions between metallic nanoparticles and molecular explosives such as cyclotrimethylenetrinitramine (RDX) has been demonstrated. This method, based on laser-induced breakdown spectroscopy, involves the production of nanoparticles in a laser-induced plasma and the simultaneous observation of time-resolved atomic and molecular emission characteristic of the species involved in the intermediate chemical reactions of the nanoenergetic material in the plasma. Using this method, it has been confirmed that the presence of aluminum promotes the ejection process of carbon from the intermediate products of RDX. The time evolution of species formation, the effects of laser pulse energy, and the effects of trace metal content on the chemical reactions were also studied. © 2012 Optical Society of America

Atmospheric Pressure Chemical Ionization Sources Used in The Detection of Explosives by Ion Mobility Spectrometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Waltman, Melanie J.

2010-05-01

Explosives detection is a necessary and wide spread field of research. From large shipping containers to airline luggage, numerous items are tested for explosives every day. In the area of trace explosives detection, ion mobility spectrometry (IMS) is the technique employed most often because it is a quick, simple, and accurate way to test many items in a short amount of time. Detection by IMS is based on the difference in drift times of product ions through the drift region of an IMS instrument. The product ions are created when the explosive compounds, introduced to the instrument, are chemically ionizedmore » through interactions with the reactant ions. The identity of the reactant ions determines the outcomes of the ionization process. This research investigated the reactant ions created by various ionization sources and looked into ways to manipulate the chemistry occurring in the sources.« less

Multi-dimensional simulations of core-collapse supernova explosions with CHIMERA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Messer, Bronson; Harris, James Austin; Hix, William Raphael

Unraveling the core-collapse supernova (CCSN) mechanism is a problem that remains essentially unsolved despite more than four decades of effort. Spherically symmetric models with otherwise high physical fidelity generally fail to produce explosions, and it is widely accepted that CCSNe are inherently multi-dimensional. Progress in realistic modeling has occurred recently through the availability of petascale platforms and the increasing sophistication of supernova codes. We will discuss our most recent work on understanding neutrino-driven CCSN explosions employing multi-dimensional neutrino-radiation hydrodynamics simulations with the Chimera code. We discuss the inputs and resulting outputs from these simulations, the role of neutrino radiation transport,more » and the importance of multi-dimensional fluid flows in shaping the explosions. We also highlight the production of 48Ca in long-running Chimera simulations.« less

Development of a contrast phantom for active millimeter-wave imaging systems

NASA Astrophysics Data System (ADS)

Barber, Jeffrey; Weatherall, James C.; Brauer, Carolyn S.; Smith, Barry T.

2011-06-01

As the development of active millimeter wave imaging systems continues, it is necessary to validate materials that simulate the expected response of explosives. While physics-based models have been used to develop simulants, it is desirable to image both the explosive and simulant together in a controlled fashion in order to demonstrate success. To this end, a millimeter wave contrast phantom has been created to calibrate image grayscale while controlling the configuration of the explosive and simulant such that direct comparison of their respective returns can be performed. The physics of the phantom are described, with millimeter wave images presented to show successful development of the phantom and simulant validation at GHz frequencies.

Design of Microstructured Conducting Polymer Films for Enhanced Trace Explosives Detection

NASA Astrophysics Data System (ADS)

Laster, Jennifer S.

The detection of trace amounts of explosive material is critical to national security. Ion mobility spectrometer (IMS)-based contact sampling continues to be a common method employed for the detection of explosives in high security checkpoint applications, such as airport security. In this process a surface of interest, such as a passenger's hands or luggage, is probed by a swab or particle trap to collect and transfer residue to an IMS for analysis. The collection of residue on a sampling swab has been shown to be a limiting step in this detection process. As such, there is significant need to develop new materials with increased adhesion to explosive analytes and with superior particle removal abilities. Here, the design of novel sampling swabs is presented for the enhanced collection of trace explosive residue from surfaces. First, the influence of the swab microstructure on the ability to remove particles from representative substrates is demonstrated. Free-standing microstructured polypyrrole (PPy) films of a variety of dimensions and form factors are fabricated using a templated electropolymerization process. The removal of polystyrene fluorescent particles from an aluminum substrate of varying surface roughness is examined as a function of the polymer microstructure. PPy microstructured films display enhanced particle removal abilities compared to PPy non-structured and current commercial films. This increase in particle removal is attributed to the increased particle-swab contact from the microstructured films. Next, the influence of the surface chemistry of sampling swabs on the collection of a representative explosive analyte, trinitrotoluene (TNT) is explored. The surface chemistry of PPy films is modified by electropolymerizaton of an N-substituted pyrrole monomer. The surface chemistries examined include a methyl, carboxylic acid, and amino-phenyl functionality. The vapor deposition of TNT on the surface of the functionalized PPy films is quantified through ultraviolet-visible (UV-vis) absorption and compared to commercial swabbing materials of varying chemistry and surface roughness. The PPy modified films with potential sites for hydrogen bonding display the highest deposition of TNT, while the Teflon coated commercial films display the lowest interaction with TNT. Finally, the desorption and release of TNT from sampling swabs is studied as an effect of temperature and of applied bias. For successful analyte detection within an IMS, the residue collected on a sampling swab must be released from the swab, typically through a thermal desorption process. In this work the release of TNT from sampling swabs is determined through solid-phase microextraction-gas chromatography mass spectrometry (SPME-GCMS). The results of this thesis provide important information on the design considerations for the development of novel particle sampling swabs with increased performance.

The High Energy Lightning Simulator (HELS) Test Facility for Testing Explosive Items

DTIC Science & Technology

1996-08-01

Center, Redstone Arsenal, AL Thomas E. Roy and David W. Bagwell AMTEC Corporation, Huntsville, AL ABSTRACT Details of the High Energy Lightning...simulated lightning testing of inerted missiles and inerted explosive items containing electrically initiated explosive trains is to determine the...penetrate the safety cages, which are electrically conductive and grounded, without loss of current. This transmission system consists of six large

On the formulation and assessment of flamelet-generated manifolds applied to two-phase turbulent combustion

NASA Astrophysics Data System (ADS)

Bojko, Brian T.

Accounting for the effects of finite rate chemistry in reacting flows is intractable when considering the number of species and reactions to be solved for during a large scale flow simulation. This is especially complicated when solid/liquid fuels are also considered. While modeling the reacting boundary layer with the use of finite-rate chemistry may allow for a highly accurate description of the coupling between the flame and fuel surface, it is not tractable in large scale simulations when considering detailed chemical kinetics. It is the goal of this research to investigate a Flamelet-Generated Manifold (FGM) method in order to reduce the finite rate chemistry to a lookup table cataloged by progress variables and queried during runtime. In this study, simplified unsteady 1D flames with mass blowing are considered for a solid biomass fuel where the FGM method is employed as a model reduction strategy for potential application to multidimensional calculations. Two types of FGM are considered. The first are a set of steady-state flames differentiated by their scalar dissipation rate. Results show the use of steady flames produce unacceptable errors compared to the finite-rate chemistry solution, with temperature errors in excess of 45%. To avoid these errors, a new methodology for developing an unsteady FGM (UFGM) is presented that accounts for unsteady diffusion effects and greatly reduces errors in temperature with differences that are under 10%. The FGM modeling is then extended to individual droplet combustion with the development of a Droplet Flamelet-Generated Manifold (DFGM) to account for the effects of finite-rate chemistry of individual droplets. A spherically symmetric droplet model is developed for methanol and aluminum. The inclusion of finite-rate chemistry allows the capturing of the transition from diffusion to kinetically controlled combustion as the droplet diameter decreases. The droplet model is then used to create a DFGM by successively solving the 1D flame equations at varying drop sizes, where the source terms for energy, mixture fraction, and progress variable are cataloged as a function of normalized diameter. A unique coupling of the DFGM and planar UFGM is developed and is used to account for individual and gas phase combustion processes in turbulent combustion situations, such as spray flames, particle laden blasts, etc. The DFGM for the methanol and aluminum droplets are used in mixed Eulerian and Eulerian-Lagrangian formulations of compressible multiphase flows. System level simulations are conducted and compared experimental data for a methanol spray flame and an aluminized blast studied at the Explosives Components Facility (ECF) at Sandia National Laboratories.

Transient dynamics of vulcanian explosions and column collapse.

PubMed

Clarke, A B; Voight, B; Neri, A; Macedonio, G

2002-02-21

Several analytical and numerical eruption models have provided insight into volcanic eruption behaviour, but most address plinian-type eruptions where vent conditions are quasi-steady. Only a few studies have explored the physics of short-duration vulcanian explosions with unsteady vent conditions and blast events. Here we present a technique that links unsteady vent flux of vulcanian explosions to the resulting dispersal of volcanic ejecta, using a numerical, axisymmetric model with multiple particle sizes. We use observational data from well documented explosions in 1997 at the Soufrière Hills volcano in Montserrat, West Indies, to constrain pre-eruptive subsurface initial conditions and to compare with our simulation results. The resulting simulations duplicate many features of the observed explosions, showing transitional behaviour where mass is divided between a buoyant plume and hazardous radial pyroclastic currents fed by a collapsing fountain. We find that leakage of volcanic gas from the conduit through surrounding rocks over a short period (of the order of 10 hours) or retarded exsolution can dictate the style of explosion. Our simulations also reveal the internal plume dynamics and particle-size segregation mechanisms that may occur in such eruptions.

Theoretical insights into the effects of molar ratios on stabilities, mechanical properties, and detonation performance of CL-20/HMX cocrystal explosives by molecular dynamics simulation.

PubMed

Hang, Gui-Yun; Yu, Wen-Li; Wang, Tao; Wang, Jin-Tao; Li, Zhen

2017-01-01

To research and estimate the effects of molar ratios on structures, stabilities, mechanical properties, and detonation properties of CL-20/HMX cocrystal explosive, the CL-20/HMX cocrystal explosive models with different molar ratios were established in Materials Studio (MS). The crystal parameters, structures, stabilities, mechanical properties, and some detonation parameters of different cocrystal explosives were obtained and compared. The molecular dynamics (MD) simulation results illustrate that the molar ratios of CL-20/HMX have a direct influence on the comprehensive performance of cocrystal explosive. The hardness and rigidity of the 1:1 cocrystal explosive was the poorest, while the plastic property and ductibility were the best, thus implying that the explosive has the best mechanical properties. Besides, it has the highest binding energy, so the stability and compatibility is the best. The cocrystal explosive has better detonation performance than HMX. In a word, the 1:1 cocrystal explosive is worth more attention and further research. This paper could offer some theoretical instructions and technological support, which could help in the design of the CL-20 cocrystal explosive.

Novel high-fidelity realistic explosion damage simulation for urban environments

NASA Astrophysics Data System (ADS)

Liu, Xiaoqing; Yadegar, Jacob; Zhu, Youding; Raju, Chaitanya; Bhagavathula, Jaya

2010-04-01

Realistic building damage simulation has a significant impact in modern modeling and simulation systems especially in diverse panoply of military and civil applications where these simulation systems are widely used for personnel training, critical mission planning, disaster management, etc. Realistic building damage simulation should incorporate accurate physics-based explosion models, rubble generation, rubble flyout, and interactions between flying rubble and their surrounding entities. However, none of the existing building damage simulation systems sufficiently faithfully realize the criteria of realism required for effective military applications. In this paper, we present a novel physics-based high-fidelity and runtime efficient explosion simulation system to realistically simulate destruction to buildings. In the proposed system, a family of novel blast models is applied to accurately and realistically simulate explosions based on static and/or dynamic detonation conditions. The system also takes account of rubble pile formation and applies a generic and scalable multi-component based object representation to describe scene entities and highly scalable agent-subsumption architecture and scheduler to schedule clusters of sequential and parallel events. The proposed system utilizes a highly efficient and scalable tetrahedral decomposition approach to realistically simulate rubble formation. Experimental results demonstrate that the proposed system has the capability to realistically simulate rubble generation, rubble flyout and their primary and secondary impacts on surrounding objects including buildings, constructions, vehicles and pedestrians in clusters of sequential and parallel damage events.

Hot spot initiation and chemical reaction in shocked polymeric bonded explosives

NASA Astrophysics Data System (ADS)

An, Qi; Zybin, Sergey; Jaramillo-Botero, Andres; Goddard, William; Materials; Process Simulation Center, Caltech Team

2011-06-01

A polymer bonded explosive (PBX) model based on PBXN-106 is studied via molecular dynamics (MD) simulations using reactive force field (ReaxFF) under shock loading conditions. Hotspot is observed when shock waves pass through the non-planar interface of explosives and elastomers. Adiabatic shear localization is proposed as the main mechanism of hotspot ignition in PBX for high velocity impact. Our simulation also shows that the coupling of shear localization and chemical reactions at hotspot region play important rules at stress relaxtion for explosives. The phenomenon that shock waves are obsorbed by elastomers is also observed in the MD simulations. This research received supports from ARO (W911NF-05-1-0345; W911NF-08-1-0124), ONR (N00014-05-1-0778), and Los Alamos National Laboratory (LANL).

Numerical investigation and Uncertainty Quantification of the Impact of the geological and geomechanical properties on the seismo-acoustic responses of underground chemical explosions

NASA Astrophysics Data System (ADS)

Ezzedine, S. M.; Pitarka, A.; Vorobiev, O.; Glenn, L.; Antoun, T.

2017-12-01

We have performed three-dimensional high resolution simulations of underground chemical explosions conducted recently in jointed rock outcrop as part of the Source Physics Experiments (SPE) being conducted at the Nevada National Security Site (NNSS). The main goal of the current study is to investigate the effects of the structural and geomechanical properties on the spall phenomena due to underground chemical explosions and its subsequent effect on the seismo-acoustic signature at far distances. Two parametric studies have been undertaken to assess the impact of different 1) conceptual geological models including a single layer and two layers model, with and without joints and with and without varying geomechanical properties, and 2) depth of bursts of the chemical explosions and explosion yields. Through these investigations we have explored not only the near-field response of the chemical explosions but also the far-field responses of the seismic and the acoustic signatures. The near-field simulations were conducted using the Eulerian and Lagrangian codes, GEODYN and GEODYN -L, respectively, while the far-field seismic simulations were conducted using the elastic wave propagation code, WPP, and the acoustic response using the Kirchhoff-Helmholtz-Rayleigh time-dependent approximation code, KHR. Though a series of simulations we have recorded the velocity field histories a) at the ground surface on an acoustic-source-patch for the acoustic simulations, and 2) on a seismic-source-box for the seismic simulations. We first analyzed the SPE3 experimental data and simulated results, then simulated SPE4-prime, SPE5, and SPE6 to anticipate their seismo-acoustic responses given conditions of uncertainties. SPE experiments were conducted in a granitic formation; we have extended the parametric study to include other geological settings such dolomite and alluvial formations. These parametric studies enabled us 1) investigating the geotechnical and geophysical key parameters that impact the seismo-acoustic responses of underground chemical explosions and 2) deciphering and ranking through a global sensitivity analysis the most important key parameters to be characterized on site to minimize uncertainties in prediction and discrimination.

A micro-macro coupling approach of MD-SPH method for reactive energetic materials

NASA Astrophysics Data System (ADS)

Liu, Gui Rong; Wang, Guang Yu; Peng, Qing; De, Suvranu

2017-01-01

The simulation of reactive energetic materials has long been the interest of researchers because of the extensive applications of explosives. Much research has been done on the subject at macro scale in the past and research at micro scale has been initiated recently. Equation of state (EoS) is the relation between physical quantities (pressure, temperature, energy and volume) describing thermodynamic states of materials under a given set of conditions. It plays a significant role in determining the characteristics of energetic materials, including Chapman-Jouguet point and detonation velocity. Furthermore, EoS is the key to connect microscopic and macroscopic phenomenon when simulating the macro effects of an explosion. For instance, an ignition and growth model for high explosives uses two JWL EoSs, one for solid explosive and the other for gaseous products, which are often obtained from experiments that can be quite expensive and hazardous. Therefore, it is ideal to calculate the EoS of energetic materials through computational means. In this paper, the EoSs for both solid and gaseous products of β-HMX are calculated using molecular dynamics simulation with ReaxFF-d3, a reactive force field obtained from quantum mechanics. The microscopic simulation results are then compared with experiments and the continuum ignition and growth model. Good agreement is observed. Then, the EoSs obtained through micro-scale simulation is applied in a smoothed particle hydrodynamics (SPH) code to simulate the macro effects of explosions. Simulation results are compared with experiments.

[Tadeusz Tucholski (1898-1940). A contribution to the scientific biography].

PubMed

Tucholska-Załuska, Hanna

2014-01-01

Assistant professor Tadeusz Tucholski Ph.D., murdered in Katyń, was one of the most outstanding representatives of the younger generation of Polish physical chemist scholars of the interwar period. He published over 30 scientific papers in the field of physical and chemical properties of explosions, kinetics and catalysis and also toxicology and forensics. Thesere searches were partly performed at the University of Poznań, in the period 1926-1939, at the Faculty of Medicine of the Department of Physics where Tucholski was employed as a senior assistant and was the closest associate of professor S. Kalandyk, partly at the Department of Forensic Medicine headed by professor S. Horoszkiewicz in the chemical-toxicological laboratory which Tucholski ranin the years 1931-1939, partly at the Warsaw University of Technology in the Department of Explosives Technology of the Faculty of Chemistry headed by professor T. Urbański, where he had been lecturing "On the latest theories of explosives" since 1937 and in 1934-35 in Cambridge, as a teaching fellow of the National Culture Fund, in Colloid Science Laboratory headed by professor E.K. Rideal. In 1903 Tucholski moved with his parents to Zabaykalye, in 1911--to Brazil. He returned to Poland in 1920, joined the Polish Army and with the 14th Polish Medium Regiment fought on the fronts of the Polish-Bolshevik War. He was drafted to the School of Pyrotechnics Foremen at Corps District Command number VII (Poznań). After graduating, Tucholski remained on active duty as a professional pyrotechnic: from 1921 to 1929 he was appointed the head of the Laboratory of Chemical and Pyrotechnic Ammunition Workshop No. 2 in Poznań and as an inspector of magazines of explosives. In 1927 he was transferred to the reserves, in 1932 after having graduated from the Officer Cadet School in Jarocin, Tucholski was appointed a second lieutenant in the Army Reserve, and later moved from the officers infantry corpsto the army ordnance corps. As part of his specialty, he constantly cooperated with the army. In the years 1937-1939,Tucholski was a technical adviser to the Ministry of Military Affairs and from August 1939--an independent researcher at the Institute of Armament Technology. He took part in the works of the Explosives Commission of the Military Technical Society. Tadeusz Tucholski was a self-taught man. He passed his A-level examsin course of his military service in October 1923 and began studying chemistry at the Faculty of Mathematics and Natural Sciences of the University of Poznań. He obtained his Master's degree in 1927, the rank and the degree of Ph.D. in the field of chemical sciences and physics in 1930. In 1936, he became the Associate Professor of physical chemistry of explosives at the Faculty of Chemistry at the University of Technology in Warsaw. Tucholski invented the method of the differential thermal analysis. He is the author of the widely used differential calorimeter which records the-processes of conversion of explosives during heating, presently known as the Differential Scanning Calorimeter.

Comparing CTH Simulations and Experiments on Explosively Loaded Rings

NASA Astrophysics Data System (ADS)

Braithwaite, C. H.; Aydelotte, B.; Thadhani, N. N.; Williamson, D. M.

2011-06-01

A series of experiments were conducted on explosively loaded rings for the purpose of studying fragmentation. In addition to the collection of fragments for analysis, the radial velocity of the expanding ring was measured with PDV and the arrangement was imaged using a high speed camera. Both the ring material and the material used as the explosive container were altered and the results compared with simulations performed in CTH. Good agreement was found between the simulations and the experiments. The maximum radial velocity attained was approximately 450 m/s, which was achieved through loading with a 5g PETN based charge.

Explosive response model evaluation using the explosive H6

NASA Astrophysics Data System (ADS)

Sutherland, Gerrit T.; Burns, Joseph

2000-04-01

Reactive rate model parameters for a two term Lee Tarver [simplified ignition and growth (SIG)] model were obtained for the explosive H6 from modified gap test data. These model was used to perform simulations of the underwater sensitivity test (UST) using the CTH hydrocode. Reaction was predicted in the simulations for the same water gaps that reaction was observed in the UST. The expansions observed for the UST samples were not simulated correctly, and this is attributed to the density equilibrium conditions imposed between unreacted and reacted components in CTH for the Lee-Tarver model.

The Status of Multi-Dimensional Core-Collapse Supernova Models

NASA Astrophysics Data System (ADS)

Müller, B.

2016-09-01

Models of neutrino-driven core-collapse supernova explosions have matured considerably in recent years. Explosions of low-mass progenitors can routinely be simulated in 1D, 2D, and 3D. Nucleosynthesis calculations indicate that these supernovae could be contributors of some lighter neutron-rich elements beyond iron. The explosion mechanism of more massive stars remains under investigation, although first 3D models of neutrino-driven explosions employing multi-group neutrino transport have become available. Together with earlier 2D models and more simplified 3D simulations, these have elucidated the interplay between neutrino heating and hydrodynamic instabilities in the post-shock region that is essential for shock revival. However, some physical ingredients may still need to be added/improved before simulations can robustly explain supernova explosions over a wide range of progenitors. Solutions recently suggested in the literature include uncertainties in the neutrino rates, rotation, and seed perturbations from convective shell burning. We review the implications of 3D simulations of shell burning in supernova progenitors for the `perturbations-aided neutrino-driven mechanism,' whose efficacy is illustrated by the first successful multi-group neutrino hydrodynamics simulation of an 18 solar mass progenitor with 3D initial conditions. We conclude with speculations about the impact of 3D effects on the structure of massive stars through convective boundary mixing.

Generalized Pseudo-Reaction Zone Model for Non-Ideal Explosives

NASA Astrophysics Data System (ADS)

Wescott, B. L.

2007-12-01

The pseudo-reaction zone model was proposed to improve engineering scale simulations with high explosives that have a slow reaction component. In this work an extension of the pseudo-reaction zone model is developed for non-ideal explosives that propagate well below the steady-planar Chapman-Jouguet velocity. A programmed burn method utilizing Detonation Shock Dynamics (DSD) and a detonation velocity dependent pseudo-reaction rate has been developed for non-ideal explosives and applied to the explosive mixture of ammonium nitrate and fuel oil (ANFO). The pseudo-reaction rate is calibrated to the experimentally obtained normal detonation velocity—shock curvature relation. Cylinder test simulations predict the proper expansion to within 1% even though significant reaction occurs as the cylinder expands.

Laser-Induced Plasma Chemistry of the Explosive RDX with Various Metallic Nanoparticles

DTIC Science & Technology

2013-04-01

mixtures is crucial. In a recent study, Song et al . investigated the formation of C and AlO in an aluminized-cyclotrimethylenetrinitra- mine (RDX) shock...being sampled in the plasma), the C2 and AlO increased on all substrates (Fig. 7). This result is confirmed by the conclusions of Song et al . [5...in C2 emission resulting from an increase in Al powder additive, as confirmed by the observations of Song et al . [5] in a shock tube explosion. The

Influence of Metal Substrates on the Detection of Explosive Residues With Laser-Induced Breakdown Spectroscopy

DTIC Science & Technology

2013-04-01

of explosives residues: a review of recent advances, challenges, and future prospects,” Anal. Bioanal. Chem. 395, 283–300 (2009). 2. D. A. Cremers and...L. J. Radziemski, Handbook of Laser- Induced Breakdown Spectroscopy (Wiley, 2006 ). 3. V. I. Babushok, F. C. De Lucia, Jr., P. J. Dagdigian, J. L...Gottfried, “Laser-induced plasma chemistry of the explo- sive RDX with various metallic nanoparticles,” Appl. Opt. 51, B13–B21 (2012). 10. D. A. Cremers

Towards the fluorogenic detection of peroxide explosives through host-guest chemistry.

PubMed

Almenar, Estefanía; Costero, Ana M; Gaviña, Pablo; Gil, Salvador; Parra, Margarita

2018-04-01

Two dansyl-modified β-cyclodextrin derivatives ( 1 and 2 ) have been synthesized as host-guest sensory systems for the direct fluorescent detection of the peroxide explosives diacetone diperoxide (DADP) and triacetone triperoxide (TATP) in aqueous media. The sensing is based on the displacement of the dansyl moiety from the cavity of the cyclodextrin by the peroxide guest resulting in a decrease of the intensity of the fluorescence of the dye. Both systems showed similar fluorescent responses and were more sensitive towards TATP than DADP.

Convection- and SASI-driven flows in parametrized models of core-collapse supernova explosions

DOE PAGES

Endeve, E.; Cardall, C. Y.; Budiardja, R. D.; ...

2016-01-21

We present initial results from three-dimensional simulations of parametrized core-collapse supernova (CCSN) explosions obtained with our astrophysical simulation code General Astrophysical Simulation System (GenASIS). We are interested in nonlinear flows resulting from neutrino-driven convection and the standing accretion shock instability (SASI) in the CCSN environment prior to and during the explosion. By varying parameters in our model that control neutrino heating and shock dissociation, our simulations result in convection-dominated and SASI-dominated evolution. We describe this initial set of simulation results in some detail. To characterize the turbulent flows in the simulations, we compute and compare velocity power spectra from convection-dominatedmore » and SASI-dominated (both non-exploding and exploding) models. When compared to SASI-dominated models, convection-dominated models exhibit significantly more power on small spatial scales.« less

Simulations of Si-PIN photodiode based detectors for underground explosives enhanced by ammonium nitrate

NASA Astrophysics Data System (ADS)

Yücel, Mete; Bayrak, Ahmet; Yücel, Esra Barlas; Ozben, Cenap S.

2018-02-01

Massive Ammonium Nitrate (NH4-NO3) based explosives buried underground are commonly used in terror attacks. These explosives can be detected using neutron scattering method with some limitations. Simulations are very useful tools for designing a possible detection system for these kind of explosives. Geant4 simulations were used for generating neutrons at 14 MeV energy and tracking them through the scattering off the explosive embedded in soil. Si-PIN photodiodes were used as detector elements in the design for their low costs and simplicity for signal readout electronics. Various neutron-charge particle converters were applied on to the surface of the photodiodes to increase the detection efficiency. Si-PIN photodiodes coated with 6LiF provided the best result for a certain energy interval. Energy depositions in silicon detector from all secondary particles generated including photons were taken into account to generate a realistic background. Humidity of soil, one of the most important parameter for limiting the detection, was also studied.

Modeling normal shock velocity curvature relations for heterogeneous explosives

NASA Astrophysics Data System (ADS)

Yoo, Sunhee; Crochet, Michael; Pemberton, Steven

2017-01-01

The theory of Detonation Shock Dynamics (DSD) is, in part, an asymptotic method to model a functional form of the relation between the shock normal, its time rate and shock curvature κ. In addition, the shock polar analysis provides a relation between shock angle θ and the detonation velocity Dn that is dependent on the equations of state (EOS) of two adjacent materials. For the axial detonation of an explosive material confined by a cylinder, the shock angle is defined as the angle between the shock normal and the normal to the cylinder liner, located at the intersection of the shock front and cylinder inner wall. Therefore, given an ideal explosive such as PBX-9501 with two functional models determined, a unique, smooth detonation front shape ψ can be determined that approximates the steady state detonation shock front of the explosive. However, experimental measurements of the Dn(κ) relation for heterogeneous explosives such as PBXN-111 [D. K. Kennedy, 2000] are challenging due to the non-smoothness and asymmetry usually observed in the experimental streak records of explosion fronts. Out of many possibilities the asymmetric character may be attributed to the heterogeneity of the explosives; here, material heterogeneity refers to compositions with multiple components and having a grain morphology that can be modeled statistically. Therefore in extending the formulation of DSD to modern novel explosives, we pose two questions: (1) is there any simple hydrodynamic model that can simulate such an asymmetric shock evolution, and (2) what statistics can be derived for the asymmetry using simulations with defined structural heterogeneity in the unreacted explosive? Saenz, Taylor and Stewart [1] studied constitutive models for derivation of the Dn(κ) relation for porous homogeneous explosives and carried out simulations in a spherical coordinate frame. In this paper we extend their model to account for heterogeneity and present shock evolutions in heterogeneous explosives using 2-D hydrodynamic simulations with some statistical examination. As an initial work, we assume that the heterogeneity comes from the local density variation or porosity only.

Concept and numerical simulations of a reactive anti-fragment armour layer

NASA Astrophysics Data System (ADS)

Hušek, Martin; Kala, Jiří; Král, Petr; Hokeš, Filip

2017-07-01

The contribution describes the concept and numerical simulation of a ballistic protective layer which is able to actively resist projectiles or smaller colliding fragments flying at high speed. The principle of the layer was designed on the basis of the action/reaction system of reactive armour which is used for the protection of armoured vehicles. As the designed ballistic layer consists of steel plates simultaneously combined with explosive material - primary explosive and secondary explosive - the technique of coupling the Finite Element Method with Smoothed Particle Hydrodynamics was used for the simulations. Certain standard situations which the ballistic layer should resist were simulated. The contribution describes the principles for the successful execution of numerical simulations, their results, and an evaluation of the functionality of the ballistic layer.

Lord Justice of Appeal John Fletcher Moulton and explosives production in World War I: ‘the mathematical mind triumphant’

PubMed Central

Van der Kloot, William

2014-01-01

At the end of November 1914 Lord Moulton (1844–1921) became the director of explosives production in the War Office. A 70-year-old jurist may seem an extraordinary choice, but he was an extraordinary man. He was Senior Wrangler at Cambridge, was elected to the Royal Society for research on electricity, and learned about chemistry as a barrister for dye and explosives manufacturers. He assembled an able team of administrators and chemists who designed and managed mammoth new national explosives factories. They could not make enough TNT and picric acid from obtainable precursors, so Moulton persuaded the reluctant armed services to adopt mixtures of TNT and ammonium nitrate, which enabled them to make even more than was needed. In mid-1915 they moved to the new Ministry of Munitions, where they also became responsible for fertilizers and poison gases. In 1917 they produced explosives at a higher rate than was attained in World War II. PMID:24921109

Lord Justice of Appeal John Fletcher Moulton and explosives production in World War I: 'the mathematical mind triumphant'.

PubMed

Van der Kloot, William

2014-06-20

At the end of November 1914 Lord Moulton (1844-1921) became the director of explosives production in the War Office. A 70-year-old jurist may seem an extraordinary choice, but he was an extraordinary man. He was Senior Wrangler at Cambridge, was elected to the Royal Society for research on electricity, and learned about chemistry as a barrister for dye and explosives manufacturers. He assembled an able team of administrators and chemists who designed and managed mammoth new national explosives factories. They could not make enough TNT and picric acid from obtainable precursors, so Moulton persuaded the reluctant armed services to adopt mixtures of TNT and ammonium nitrate, which enabled them to make even more than was needed. In mid-1915 they moved to the new Ministry of Munitions, where they also became responsible for fertilizers and poison gases. In 1917 they produced explosives at a higher rate than was attained in World War II.

High-speed imaging, acoustic features, and aeroacoustic computations of jet noise from Strombolian (and Vulcanian) explosions

NASA Astrophysics Data System (ADS)

Taddeucci, J.; Sesterhenn, J.; Scarlato, P.; Stampka, K.; Del Bello, E.; Pena Fernandez, J. J.; Gaudin, D.

2014-05-01

High-speed imaging of explosive eruptions at Stromboli (Italy), Fuego (Guatemala), and Yasur (Vanuatu) volcanoes allowed visualization of pressure waves from seconds-long explosions. From the explosion jets, waves radiate with variable geometry, timing, and apparent direction and velocity. Both the explosion jets and their wave fields are replicated well by numerical simulations of supersonic jets impulsively released from a pressurized vessel. The scaled acoustic signal from one explosion at Stromboli displays a frequency pattern with an excellent match to those from the simulated jets. We conclude that both the observed waves and the audible sound from the explosions are jet noise, i.e., the typical acoustic field radiating from high-velocity jets. Volcanic jet noise was previously quantified only in the infrasonic emissions from large, sub-Plinian to Plinian eruptions. Our combined approach allows us to define the spatial and temporal evolution of audible jet noise from supersonic jets in small-scale volcanic eruptions.

Kent and Riegel's Handbook of industrial chemistry and biotechnology. 11th ed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kent, James A.

2007-07-01

This handbook provides extensive information on plastics, rubber, adhesives, textile fibers, pharmaceutical chemistry, synthetic organic chemicals, soaps and detergents, as well as various other major classes of industrial chemistry. There is detailed coverage of coal utilization technology, dyes and dye intermediates, chlor-alkali and heavy chemicals, paints and pigments, chemical explosives, propellants, petroleum and petrochemicals, natural gas, industrial gases, synthetic nitrogen products, fats and oils, sulfur and sulfuric acid, phosphorous and phosphates, wood products, and sweeteners. The chapter on coal is entitled: coal technology for power, liquid fuels and chemicals. 100 ills.

75 FR 30300 - Restricting the Mailing of Replica or Inert Explosive Devices

Federal Register 2010, 2011, 2012, 2013, 2014

2010-06-01

... not dangerous but bear a realistic appearance to explosive devices, to Registered Mail\\TM\\ service... explosive devices such as simulated grenades, but that are not dangerous, are permitted in the mail when all...

Type Ia Supernova Explosions from Hybrid Carbon-Oxygen-Neon White Dwarf Progenitors

NASA Astrophysics Data System (ADS)

Willcox, Donald E.; Townsley, Dean M.; Calder, Alan C.; Denissenkov, Pavel A.; Herwig, Falk

2016-11-01

Motivated by recent results in stellar evolution that predict the existence of hybrid white dwarf (WD) stars with a C-O core inside an O-Ne shell, we simulate thermonuclear (Type Ia) supernovae from these hybrid progenitors. We use the FLASH code to perform multidimensional simulations in the deflagration-to-detonation transition (DDT) explosion paradigm. Our hybrid progenitor models were produced with the MESA stellar evolution code and include the effects of the Urca process, and we map the progenitor model to the FLASH grid. We performed a suite of DDT simulations over a range of ignition conditions consistent with the progenitor’s thermal and convective structure assuming multiple ignition points. To compare the results from these hybrid WD stars to previous results from C-O WDs, we construct a set of C-O WD models with similar properties and similarly simulate a suite of explosions. We find that despite significant variability within each suite, trends distinguishing the explosions are apparent in their {}56{Ni} yields and the kinetic properties of the ejecta. We compare our results with other recent work that studies explosions from these hybrid progenitors.

Controlled Detonation Dynamics in Additively Manufactured High Explosives

NASA Astrophysics Data System (ADS)

Schmalzer, Andrew; Tappan, Bryce; Bowden, Patrick; Manner, Virginia; Clements, Brad; Menikoff, Ralph; Ionita, Axinte; Branch, Brittany; Dattelbaum, Dana; Espy, Michelle; Patterson, Brian; Wu, Ruilian; Mueller, Alexander

2017-06-01

The effect of structure in explosives has long been a subject of interest to explosives engineers and scientists. Through structure, detonation dynamics in explosives can be manipulated, introducing a new level of safety and directed performance into these previously difficult to control materials. New advances in additive manufacturing (AM) allow the deliberate introduction of exact internal structures at dimensions approaching the mesoscale of these energetic materials. We show through simulation and experiment that this structure can be used to control detonation behavior by manipulating complex shockwave interactions. We use high-speed video and shorting mag-wires to determine the detonation velocity in AM generated explosive structures, demonstrating, for the first time, a method of controlling the directional propagation of reactive flow through the controlled introduction of structure within a high explosive. With ongoing improvement in the AM methods available coupled with guidance through modeling and simulations, more complex interactions are being explored. LANL LDRD Office.

Detection of an explosive simulant via electrical impedance spectroscopy utilizing the UiO-66-NH2 metal-organic framework.

PubMed

Peterson, G W; McEntee, M; Harris, C R; Klevitch, A D; Fountain, A W; Soliz, J R; Balboa, A; Hauser, A J

2016-11-01

Electrical impedance spectroscopy, in conjunction with the metal-organic framework (MOF) UiO-66-NH 2 , is used to detect trace levels of the explosive simulant 2,6-dinitrotoluene. The combination of porosity and functionality of the MOF provides an effective dielectric structure, resulting in changes of impedance magnitude and phase angle. The promising data indicate that MOFs may be used in low-cost, robust explosive detection devices.

Determination of detonation wave boundary angles via hydrocode simulations using CREST

NASA Astrophysics Data System (ADS)

Whitworth, N. J.; Childs, M.

2017-01-01

A key input parameter to Detonation Shock Dynamics models is the angle that the propagating detonation wave makes with the charge edge. This is commonly referred to as the boundary angle, and is a property of the explosive/confiner material combination. Such angles can be determined: (i) experimentally from measured detonation wave-shapes, (ii) theoretically, or (iii) via hydrocode simulations using a reactive burn model. Of these approaches: (i) is difficult because of resolution, (ii) breaks down for certain configurations, while (iii) requires a well validated model. In this paper, the CREST reactive burn model, which has previously been successful in modelling a wide range of explosive phenomena, is used to simulate recent Detonation Confinement Sandwich Tests conducted at LANL using the insensitive high explosive PBX 9502. Simulated detonation wave-shapes in PBX 9502 for a number of different confiner materials and combinations closely match those recorded from the experiments. Boundary angles were subsequently extracted from the simulated results via a wave-shape analysis toolkit. The results shown demonstrate the usefulness of CREST in determining detonation wave boundary angles for a range of explosive/confiner material combinations.

Impact fuze testing at 3000 m/sec employing explosively accelerating plates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gill, W.

1981-01-01

The Explosives Testing Division at Sandia has developed a method of simulating a re-entry vehicle impacting the ground. The purpose of the simulation is to evaluate different fusing concepts. The design and operation of this impact testing facility are described.

Molecular dynamics simulation of Coulomb explosion, melting and shock wave creation in silicon after an ionization pulse

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Zhongyu; Shao, Lin, E-mail: lshao@tamu.edu; Chen, Di

Strong electronic stopping power of swift ions in a semiconducting or insulating substrate can lead to localized electron stripping. The subsequent repulsive interactions among charged target atoms can cause Coulomb explosion. Using molecular dynamics simulation, we simulate Coulomb explosion in silicon by introducing an ionization pulse lasting for different periods, and at different substrate temperatures. We find that the longer the pulse period, the larger the melting radius. The observation can be explained by a critical energy density model assuming that melting required thermal energy density is a constant value and the total thermal energy gained from Coulomb explosion ismore » linearly proportional to the ionization period. Our studies also show that melting radius is larger at higher substrate temperatures. The temperature effect is explained due to a longer structural relaxation above the melting temperature at original ionization boundary due to lower heat dissipation rates. Furthermore, simulations show the formation of shock waves, created due to the compression from the melting core.« less

Toward a Role of Light Absorption in Initiation Chemistry of Shocked HMX single Crystals and Crystalline High Explosives

NASA Astrophysics Data System (ADS)

Plaksin, Igor; Rodrigues, L.

2013-06-01

Question which mechanism is driving radiation-induced reactions, thermal or athermal becomes a subject of conflicting discussions. Major challenge of this work is to identify at micro- (sub-granular), meso- (grain level) and macro-scale roles of these two mechanisms in triggering initiation chemistry in HMX-based HEs. Four acceptor-patterns were tested at 20 GPa input pressure: single HMX crystal-in-water, HMX/water-slurry, PBX(HMX/HTPB) & inert PBX-simulant (HMX-particles replaced by crystalline sucrose). Scenario of reaction onset-localizations-dissipation was spatially resolved using Multi-Channel Optical Analyzer MCOA-UC (96 channels, 100um-spatial accuracy, 0.2ns-timeresolution, 450-850 nm-spectral range) through real-time panoramic recording emitted reaction light and shock field in standard optic monitor. Experiments reveal a dual nature of initiation chemistry: athermal and thermal. Single-crystal tests disclose origination of photo-induced reactions downstream of emitting reaction spot due to intensified radiation absorption in surface micro-defects. Polycrystalline samples reveal cyclic reproducibility of radiation-induced thermal precursors in which radiation absorption causes thermal expansion/phase-changes of HMX-grains resulting in oscillating detonation. Work was supported by the Office of Naval Research under the ONR and ONR Global Grants N00014-12-1-0477 and N62909-12-1-7131 with Drs. Cliff Bedford and Shawn Thorne Program Managers.

Advances in explosives analysis—part II: photon and neutron methods

DOE PAGES

Brown, Kathryn E.; Greenfield, Margo T.; McGrane, Shawn D.; ...

2015-10-07

The number and capability of explosives detection and analysis methods have increased dramatically since publication of the Analytical and Bioanalytical Chemistry special issue devoted to Explosives Analysis [Moore DS, Goodpaster JV, Anal Bioanal Chem 395:245–246, 2009]. Here we review and critically evaluate the latest (the past five years) important advances in explosives detection, with details of the improvements over previous methods, and suggest possible avenues towards further advances in, e.g., stand-off distance, detection limit, selectivity, and penetration through camouflage or packaging. Our review consists of two parts. Part I discussed methods based on animals, chemicals (including colorimetry, molecularly imprinted polymers,more » electrochemistry, and immunochemistry), ions (both ion-mobility spectrometry and mass spectrometry), and mechanical devices. In Part II, we review methods based on photons, from very energetic photons including X-rays and gamma rays down to the terahertz range, and neutrons.« less

A portable fluorescence detector for fast ultra trace detection of explosive vapors

NASA Astrophysics Data System (ADS)

Xin, Yunhong; He, Gang; Wang, Qi; Fang, Yu

2011-10-01

This paper developed a portable detector based on a specific material-based fluorescent sensing film for an ultra trace detection of explosives, such as 2,4,6-trinitrotoluene (TNT) or its derivate 2,4-dinitrotoluene (DNT), in ambient air or on objects tainted by explosives. The fluorescent sensing films are based on single-layer chemistry and the signal amplification effect of conjugated polymers, which exhibited higher sensitivity and shorter response time to TNT or DNT at their vapor pressures. Due to application of the light emitting diode and the solid state photomultiplier and the cross-correlation-based circuit design technology, the device has the advantages of low-power, low-cost, small size, and an improved signal to noise ratio. The results of the experiments showed that the detector can real-time detect and identify of explosive vapors at extremely low levels; it is suitable for the identification of suspect luggage, forensic analyses, or battlefields clearing.

Advances in explosives analysis—part I. animal, chemical, ion, and mechanical methods

DOE PAGES

Brown, Kathryn E.; Greenfield, Margo T.; McGrane, Shawn D.; ...

2015-10-13

The number and capability of explosives detection and analysis methods have increased substantially since the publication of the Analytical and Bioanalytical Chemistry special issue devoted to Explosives Analysis (Moore and Goodpaster, Anal Bioanal Chem 395(2):245–246, 2009). We review and critically evaluate the latest (the past five years) important advances in explosives detection, with details of the improvements over previous methods, and suggest possible avenues towards further advances in, e.g., stand-off distance, detection limit, selectivity, and penetration through camouflage or packaging. The review consists of two parts. Moreover, Part I, reviews methods based on animals, chemicals (including colorimetry, molecularly imprinted polymers,more » electrochemistry, and immunochemistry), ions (both ion-mobility spectrometry and mass spectrometry), and mechanical devices. Part II will review methods based on photons, from very energetic photons including X-rays and gamma rays down to the terahertz range, and neutrons.« less

A portable fluorescence detector for fast ultra trace detection of explosive vapors.

PubMed

Xin, Yunhong; He, Gang; Wang, Qi; Fang, Yu

2011-10-01

This paper developed a portable detector based on a specific material-based fluorescent sensing film for an ultra trace detection of explosives, such as 2,4,6-trinitrotoluene (TNT) or its derivate 2,4-dinitrotoluene (DNT), in ambient air or on objects tainted by explosives. The fluorescent sensing films are based on single-layer chemistry and the signal amplification effect of conjugated polymers, which exhibited higher sensitivity and shorter response time to TNT or DNT at their vapor pressures. Due to application of the light emitting diode and the solid state photomultiplier and the cross-correlation-based circuit design technology, the device has the advantages of low-power, low-cost, small size, and an improved signal to noise ratio. The results of the experiments showed that the detector can real-time detect and identify of explosive vapors at extremely low levels; it is suitable for the identification of suspect luggage, forensic analyses, or battlefields clearing.

Comparing CTH simulations and experiments on explosively loaded rings

NASA Astrophysics Data System (ADS)

Braithwaite, C. H.; Aydelotte, Brady; Collins, Adam; Thadhani, Naresh; Williamson, David Martin

2012-03-01

A series of experiments were conducted on explosively loaded metallic rings for the purpose of studying fragmentation. In addition to the collection of fragments for analysis, the radial velocity of the expanding ring was measured with photon Doppler velocimetry (PDV) and the arrangement was imaged using high speed photography. Both the ring material and the material used as the explosive container were altered and the results compared with simulations performed in CTH. Good agreement was found between the simulations and the experiments. The maximum radial velocity attained was approximately 380 m/s, which was achieved through loading with a 5g PETN based charge.

Computer Code Gives Astrophysicists First Full Simulation of Star's Final Hours

ScienceCinema

Andy Nonaka

2017-12-09

The precise conditions inside a white dwarf star in the hours leading up to its explosive end as a Type Ia supernova are one of the mysteries confronting astrophysicists studying these massive stellar explosions. But now, a team of researchers, composed of three applied mathematicians at the U.S. Department of Energy's (DOE) Lawrence Berkeley National Laboratory and two astrophysicists, has created the first full-star simulation of the hours preceding the largest thermonuclear explosions in the universe.

User’s Guide and History of ANFO (Ammonium Nitrate/Fuel Oil) as a Nuclear Weapons Effect Simulation Explosive

DTIC Science & Technology

1983-03-31

SHOCK SIMULATION 1659 - Amonium nitrate first prepared by Glauber 1867 - Swedish patent granted to Ohlsson and Norrbein for use of ammonium nitrate ...neceessay aqd identify by block number) Ammonium Nitrate -Fuel Oil Aiiblast - . ANFO . Craters High Explosives Explosive Charge Construction * Nuclear...utilizatilon of ANFO for future W FJOAMw. 1473- EDIT00 or INOW ,Sois 0"LTZ"" DO t 473 UNCLASSIFIED SECUM"TY CLASSIFfCATIOl# OF THIS PAGEI(Whonf D Ia LI L

From Supernovae to Neutron Stars

NASA Astrophysics Data System (ADS)

Suwa, Yudai

A core-collapse supernova is a generation site of a neutron star as well as one of the largest explosions in the universe. This article gives a brief overview of the studies on supernova explosion mechanism. Basic picture of the explosion mechanism, the method to solve neutrino transfer equation, the impact of the nuclear equation of state on the explosion, and long-term simulation of neutron star evolution from the onset of the explosion are presented.

NQR detection of explosive simulants using RF atomic magnetometers

NASA Astrophysics Data System (ADS)

Monti, Mark C.; Alexson, Dimitri A.; Okamitsu, Jeffrey K.

2016-05-01

Nuclear Quadrupole Resonance (NQR) is a highly selective spectroscopic method that can be used to detect and identify a number of chemicals of interest to the defense, national security, and law enforcement community. In the past, there have been several documented attempts to utilize NQR to detect nitrogen bearing explosives using induction sensors to detect the NQR RF signatures. We present here our work on the NQR detection of explosive simulants using optically pumped RF atomic magnetometers. RF atomic magnetometers can provide an order of magnitude (or more) improvement in sensitivity versus induction sensors and can enable mitigation of RF interference, which has classically has been a problem for conventional NQR using induction sensors. We present the theory of operation of optically pumped RF atomic magnetometers along with the result of laboratory work on the detection of explosive simulant material. An outline of ongoing work will also be presented along with a path for a fieldable detection system.

Determination of the effects of water adsorption on the sensitivity and detonation performance of the explosive JOB-9003 by molecular dynamics simulation.

PubMed

Hang, GuiYun; Yu, WenLi; Wang, Tao; Li, Zhen

2016-11-01

In order to determine the adsorption mechanism of water on the crystal surfaces of the explosive JOB-9003 and the effect of this adsorption on the sensitivity and detonation performance of this explosive, a model of the crystal of JOB-9003 was created in the software package Materials Studio (MS). The adsorption process was simulated, and molecular dynamics simulation was performed with the COMPASS force field in the NPT ensemble to calculate the sensitivity and detonation performance of the explosive. The results show that the maximum trigger bond length decreases whereas the interaction energy of the trigger bond and the cohesive energy density increase after adsorption, indicating that the sensitivity of JOB-9003 decreases. The results for the detonation performance show that the detonation pressure, detonation velocity, and detonation heat decrease upon the adsorption of water, thus illustrating that the detonation performance of JOB-9003 is degraded. In summary, the adsorption of water has a positive effect on the sensitivity and safety of the explosive JOB-9003 but a negative effect on its detonation performance.

Towards the fluorogenic detection of peroxide explosives through host–guest chemistry

PubMed Central

Almenar, Estefanía; Costero, Ana M.; Gil, Salvador; Parra, Margarita

2018-01-01

Two dansyl-modified β-cyclodextrin derivatives (1 and 2) have been synthesized as host–guest sensory systems for the direct fluorescent detection of the peroxide explosives diacetone diperoxide (DADP) and triacetone triperoxide (TATP) in aqueous media. The sensing is based on the displacement of the dansyl moiety from the cavity of the cyclodextrin by the peroxide guest resulting in a decrease of the intensity of the fluorescence of the dye. Both systems showed similar fluorescent responses and were more sensitive towards TATP than DADP. PMID:29765646

Effects of Initial Particle Distribution on an Energetic Dispersal of Particles

NASA Astrophysics Data System (ADS)

Rollin, Bertrand; Ouellet, Frederick; Koneru, Rahul; Garno, Joshua; Durant, Bradford

2017-11-01

Accurate predictions of the late time solid particle cloud distribution ensuing an explosive dispersal of particles is an extremely challenging problem for compressible multiphase flow simulations. The source of this difficulty is twofold: (i) The complex sequence of events taking place. Indeed, as the blast wave crosses the surrounding layer of particles, compaction occurs shortly before particles disperse radially at high speed. Then, during the dispersion phase, complex multiphase interactions occurs between particles and detonation products. (ii) Precise characterization of the explosive and particle distribution is virtually impossible. In this numerical experiment, we focus on the sensitivity of late time particle cloud distributions relative to carefully designed initial distributions, assuming the explosive is well described. Using point particle simulations, we study the case of a bed of glass particles surrounding an explosive. Constraining our simulations to relatively low initial volume fractions to prevent reaching of the close packing limit, we seek to describe qualitatively and quantitatively the late time dependency of a solid particle cloud on its distribution before the energy release of an explosive. This work was supported by the U.S. DoE, NNSA, Advanced Simulation and Computing Program, as a Cooperative Agreement under the Predictive Science Academic Alliance Program, under Contract No. DE-NA0002378.

Energetic lanthanide complexes: coordination chemistry and explosives applications

NASA Astrophysics Data System (ADS)

Manner, V. W.; Barker, B. J.; Sanders, V. E.; Laintz, K. E.; Scott, B. L.; Preston, D. N.; Sandstrom, M.; Reardon, B. L.

2014-05-01

Metals are generally added to organic molecular explosives in a heterogeneous composite to improve overall heat and energy release. In order to avoid creating a mixture that can vary in homogeneity, energetic organic molecules can be directly bonded to high molecular weight metals, forming a single metal complex with Angstrom-scale separation between the metal and the explosive. To probe the relationship between the structural properties of metal complexes and explosive performance, a new series of energetic lanthanide complexes has been prepared using energetic ligands such as NTO (5-nitro-2,4-dihydro-1,2,4-triazole-3-one). These are the first examples of lanthanide NTO complexes where no water is coordinated to the metal, demonstrating novel control of the coordination environment. The complexes have been characterized by X-ray crystallography, NMR and IR spectroscopies, photoluminescence, and sensitivity testing. The structural and energetic properties are discussed in the context of enhanced blast effects and detection. Cheetah calculations have been performed to fine-tune physical properties, creating a systematic method for producing explosives with 'tailor made' characteristics. These new complexes will be benchmarks for further study in the field of metalized high explosives.

Energetic Lanthanide Complexes: Coordination Chemistry and Explosives Applications

NASA Astrophysics Data System (ADS)

Manner, Virginia; Barker, Beau; Sanders, Eric; Laintz, Kenneth; Scott, Brian; Preston, Daniel; Sandstrom, Mary; Reardon, Bettina

2013-06-01

Metals are generally added to organic molecular explosives in a heterogeneous composite to improve overall heat and energy release. In order to avoid creating a mixture that can vary in homogeneity, energetic organic molecules can be directly bonded to high molecular weight metals, forming a single metal complex with Angstrom-scale separation between the metal and the explosive. To probe the relationship between the structural properties of metal complexes and explosive performance, a new series of energetic lanthanide complexes has been prepared using energetic ligands such as NTO (5-nitro-2,4-dihydro-1,2,4-triazole-3-one). These are the first examples of lanthanide NTO complexes where no water is coordinated to the metal, demonstrating novel control of the coordination environment. The complexes have been characterized by X-ray crystallography, NMR and IR spectroscopies, photoluminescence, and sensitivity testing. The structural and energetic properties are discussed in the context of enhanced blast effects and detection. Cheetah calculations have been performed to fine-tune physical properties, creating a systematic method for producing explosives with ``tailor made'' characteristics. These new complexes will be benchmarks for further study in the field of metalized high explosives.

Tested Demonstrations.

ERIC Educational Resources Information Center

Gilbert, George L., Ed.

1987-01-01

Describes two demonstrations for use in chemistry instruction. The first illustrates the preparation of a less common oxide of iron, showing why this oxide is rare. The second is an explosion reaction of hydrogen and oxygen that is recommended for use as an attention-getting device. (TW)

Source characterization of underground explosions from hydrodynamic-to-elastic coupling simulations

NASA Astrophysics Data System (ADS)

Chiang, A.; Pitarka, A.; Ford, S. R.; Ezzedine, S. M.; Vorobiev, O.

2017-12-01

A major improvement in ground motion simulation capabilities for underground explosion monitoring during the first phase of the Source Physics Experiment (SPE) is the development of a wave propagation solver that can propagate explosion generated non-linear near field ground motions to the far-field. The calculation is done using a hybrid modeling approach with a one-way hydrodynamic-to-elastic coupling in three dimensions where near-field motions are computed using GEODYN-L, a Lagrangian hydrodynamics code, and then passed to WPP, an elastic finite-difference code for seismic waveform modeling. The advancement in ground motion simulation capabilities gives us the opportunity to assess moment tensor inversion of a realistic volumetric source with near-field effects in a controlled setting, where we can evaluate the recovered source properties as a function of modeling parameters (i.e. velocity model) and can provide insights into previous source studies on SPE Phase I chemical shots and other historical nuclear explosions. For example the moment tensor inversion of far-field SPE seismic data demonstrated while vertical motions are well-modeled using existing velocity models large misfits still persist in predicting tangential shear wave motions from explosions. One possible explanation we can explore is errors and uncertainties from the underlying Earth model. Here we investigate the recovered moment tensor solution, particularly on the non-volumetric component, by inverting far-field ground motions simulated from physics-based explosion source models in fractured material, where the physics-based source models are based on the modeling of SPE-4P, SPE-5 and SPE-6 near-field data. The hybrid modeling approach provides new prospects in modeling explosion source and understanding the uncertainties associated with it.

Detonation initiation in a model of explosive: Comparative atomistic and hydrodynamics simulations

NASA Astrophysics Data System (ADS)

Murzov, S. A.; Sergeev, O. V.; Dyachkov, S. A.; Egorova, M. S.; Parshikov, A. N.; Zhakhovsky, V. V.

2016-11-01

Here we extend consistent simulations to reactive materials by the example of AB model explosive. The kinetic model of chemical reactions observed in a molecular dynamics (MD) simulation of self-sustained detonation wave can be used in hydrodynamic simulation of detonation initiation. Kinetic coefficients are obtained by minimization of difference between profiles of species calculated from the kinetic model and observed in MD simulations of isochoric thermal decomposition with a help of downhill simplex method combined with random walk in multidimensional space of fitting kinetic model parameters.

Campaign 2 Level 2 Milestone Review 2009: Milestone # 3131 Grain Scale Simulation of Pore Collapse

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schwartz, A J

2009-09-28

The milestone reviewed on Sept. 16, 2009 was 'High-fidelity simulation of shock initiation of high explosives at the grain scale using coupled hydrodynamics, thermal transport and chemistry'. It is the opinion of the committee that the team has satisfied the milestone. A detailed description of how the goals were met is provided. The milestone leveraged capabilities from ASC Physics and Engineering Materials program combined with experimental input from Campaign 2. A combined experimental-multiscale simulation approach was used to create and validate the various TATB model components. At the lowest length scale, quantum chemical calculations were used to determine equations ofmore » state, thermal transport properties and reaction rates for TATB as it is decomposing. High-pressure experiments conducted in diamond anvil cells, gas guns and the Z machine were used to validate the EOS, thermal conductivity, specific heat and predictions of water formation. The predicted reaction networks and chemical kinetic equations were implemented in Cheetah and validated against the lower length scale data. Cheetah was then used within the ASC code ALE3D for high-resolution, thermo-mechanically coupled simulations of pore collapse at the micron size scale to predict conditions for detonation initiation.« less

Hot Spot Initiation Patterns in Shocked Explosives and Propellants Recorded by Thermal Film.

DTIC Science & Technology

1980-12-02

8 PropellantsVRA-23andALTU-16 . . . . . ........ .. 9 PBXN - 106 Simulant . . . . . .. . . . . . . . . . . . . . 9 CONCLUSIONS...Enlargement (120X) Showing Crater Pattern With Charred Rim Produced By Fracture of Glass Beads in PBXN - 106 Simulant . . . . . 21 12 Model of Crater...explosives and high energy propellants as well as with an explo- sive ( PBXN - 106 ) simulant. The results of these tests are reported below. PRESSED TNT. Figure

The role of atmospheric nuclear explosions on the stagnation of global warming in the mid 20th century

NASA Astrophysics Data System (ADS)

Fujii, Yoshiaki

2011-04-01

This study suggests that the cause of the stagnation in global warming in the mid 20th century was the atmospheric nuclear explosions detonated between 1945 and 1980. The estimated GST drop due to fine dust from the actual atmospheric nuclear explosions based on the published simulation results by other researchers (a single column model and Atmosphere-Ocean General Circulation Model) has served to explain the stagnation in global warming. Atmospheric nuclear explosions can be regarded as full-scale in situ tests for nuclear winter. The non-negligible amount of GST drop from the actual atmospheric explosions suggests that nuclear winter is not just a theory but has actually occurred, albeit on a small scale. The accuracy of the simulations of GST by IPCC would also be improved significantly by introducing the influence of fine dust from the actual atmospheric nuclear explosions into their climate models; thus, global warming behavior could be more accurately predicted.

Reactive Blast Waves from Composite Charges

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuhl, A L; Bell, J B; Beckner, V E

2009-10-16

Investigated here is the performance of composite explosives - measured in terms of the blast wave they drive into the surrounding environment. The composite charge configuration studied here was a spherical booster (1/3 charge mass), surrounded by aluminum (Al) powder (2/3 charge mass) at an initial density of {rho}{sub 0} = 0.604 g/cc. The Al powder acts as a fuel but does not detonate - thereby providing an extreme example of a 'non-ideal' explosive (where 2/3 of the charge does not detonate). Detonation of the booster charge creates a blast wave that disperses the Al powder and ignites the ensuingmore » Al-air mixture - thereby forming a two-phase combustion cloud embedded in the explosion. Afterburning of the booster detonation products with air also enhances and promotes the Al-air combustion process. Pressure waves from such reactive blast waves have been measured in bomb calorimeter experiments. Here we describe numerical simulations of those experiments. A Heterogeneous Continuum Model was used to model the dispersion and combustion of the Al particle cloud. It combines the gasdynamic conservation laws for the gas phase with a dilute continuum model for the dispersed phase, as formulated by Nigmatulin. Inter-phase mass, momentum and energy exchange are prescribed by phenomenological models of Khasainov. It incorporates a combustion model based on mass conservation laws for fuel, air and products; source/sink terms are treated in the fast-chemistry limit appropriate for such gasdynamic fields, along with a model for mass transfer from the particle phase to the gas. The model takes into account both the afterburning of the detonation products of the booster with air, and the combustion of the Al particles with air. The model equations were integrated by high-order Godunov schemes for both the gas and particle phases. Adaptive Mesh Refinement (AMR) was used to capture the energy-bearing scales of the turbulent flow on the computational grid, and to track/resolve reaction zones. Numerical simulations of the explosion fields from 1.5-g and 10-kg composite charges were performed. Computed pressure histories (red curve) are compared with measured waveforms (black curves) in Fig. 1. Comparison of these results with a waveform for a non-combustion case in nitrogen (blue curve) demonstrates that a reactive blast wave was formed. Cross-sectional views of the temperature field at various times are presented in Fig. 2, which shows that the flow is turbulent. Initially, combustion occurs at the fuel-air interface, and the energy release rate is controlled by the rate of turbulent mixing. Eventually, oxidizer becomes distributed throughout the cloud via ballistic mixing of the particles with air; energy release then occurs in a distributed combustion mode, and Al particle kinetics controls the energy release rate. Details of the Heterogeneous Continuum Model and results of the numerical simulations of composite charge explosions will be described in the paper.« less

Computer Code Gives Astrophysicists First Full Simulation of Star's Final Hours

ScienceCinema

Applin, Bradford; Almgren, Ann S.; Nonaka, Andy

2018-05-11

The precise conditions inside a white dwarf star in the hours leading up to its explosive end as a Type Ia supernova are one of the mysteries confronting astrophysicists studying these massive stellar explosions. But now, a team of researchers, composed of three applied mathematicians at the U.S. Department of Energy's (DOE) Lawrence Berkeley National Laboratory and two astrophysicists, has created the first full-star simulation of the hours preceding the largest thermonuclear explosions in the universe. http://www.lbl.gov/cs/Archive/news091509.html

46 CFR 194.15-5 - Ventilation.

Code of Federal Regulations, 2014 CFR

2014-10-01

... CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194... be equipped with acceptable flame screens. (b) Chemical laboratories shall be equipped with power...) Ventilation of air conditioning systems serving the chemical laboratory shall be designed so that air cannot...

46 CFR 194.15-5 - Ventilation.

Code of Federal Regulations, 2012 CFR

2012-10-01

... CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194... be equipped with acceptable flame screens. (b) Chemical laboratories shall be equipped with power...) Ventilation of air conditioning systems serving the chemical laboratory shall be designed so that air cannot...

10 CFR 1045.15 - Classification and declassification presumptions.

Code of Federal Regulations, 2013 CFR

2013-01-01

... criteria in § 1045.16 indicates otherwise: (1) Basic science: mathematics, chemistry, theoretical and experimental physics, engineering, materials science, biology and medicine; (2) Magnetic confinement fusion...); (5) Fact of use of safety features (e.g., insensitive high explosives, fire resistant pits) to lower...

10 CFR 1045.15 - Classification and declassification presumptions.

Code of Federal Regulations, 2014 CFR

2014-01-01

... criteria in § 1045.16 indicates otherwise: (1) Basic science: mathematics, chemistry, theoretical and experimental physics, engineering, materials science, biology and medicine; (2) Magnetic confinement fusion...); (5) Fact of use of safety features (e.g., insensitive high explosives, fire resistant pits) to lower...

46 CFR 194.15-1 - General.

Code of Federal Regulations, 2012 CFR

2012-10-01

..., DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194.15-1 General..., such as desks, file and storage cabinets, waste paper baskets, work benches, chair frames, etc. Working...

46 CFR 194.15-1 - General.

Code of Federal Regulations, 2011 CFR

2011-10-01

..., DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194.15-1 General..., such as desks, file and storage cabinets, waste paper baskets, work benches, chair frames, etc. Working...

46 CFR 194.15-1 - General.

Code of Federal Regulations, 2014 CFR

2014-10-01

..., DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194.15-1 General..., such as desks, file and storage cabinets, waste paper baskets, work benches, chair frames, etc. Working...

A fluorescent organic cage for picric acid detection.

PubMed

Acharyya, Koushik; Mukherjee, Partha Sarathi

2014-12-25

Dynamic covalent imine chemistry has been utilized to synthesize a fluorescent [3+2] self-assembled nanoscopic organic cage. The fluorescent nature of the reduced analogue of the cage was further exploited for the highly selective detection of the explosive picric acid (PA).

The Energy Crisis: A New Chemistry Course for Nonscience Majors

ERIC Educational Resources Information Center

Piraino, Marie J.

1974-01-01

Describes a course structured around nuclear energy, fossil fuel energy, food energy, and the population explosion. The course uses classroom discussion and laboratory sessions to stress basic chemical principles and relevance to the student. A topical outline is included. (GS)

Research on Equation of State For Detonation Products of Aluminized Explosive

NASA Astrophysics Data System (ADS)

Yue, Jun-Zheng; Duan, Zhuo-Ping; Zhang, Zhen-Yu; Ou, Zhuo-Cheng

2017-10-01

The secondary reaction of the aluminum powder contained in an aluminized explosive is investigated, from which the energy loss resulted from the quantity reduce of the gaseous products is demonstrated. Moreover, taking the energy loss into account, the existing improved Jones-Wilkins-Lee (JWL) equation of state for detonation products of aluminized explosive is modified. Furthermore, the new modified JWL equation of state is implemented into the dynamic analysis software (DYNA)-2D hydro-code to simulate numerically the metal plate acceleration tests of the Hexogen (RDX)-based aluminized explosives. It is found that the numerical results are in good agreement with previous experimental data. In addition, it is also demonstrated that the reaction rate of explosive before the Chapman-Jouget (CJ) state has little influence on the motion of the metal plate, based on which a simple approach is proposed to simulate numerically the products expansion process after the CJ state.

Cassiopeia A: Supernova explosion and expansion simulations under strong asymmetry conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yakhin, R. A., E-mail: yakhin.rafael@gmail.com; Rozanov, V. B.; Zmitrenko, N. V.

We propose a model for the explosion of a supernova and the expansion of its ejecta in the presence of a strong initial asymmetry (at the explosion time) in the central part of the star (core) and a possible smallscale asymmetry in the peripheral regions. The Chandra and NuSTAR observations of ejecta in the Cassiopeia A supernova remnant are analyzed. Based on our 1D and 2D numerical simulations performed using the DIANA and NUTCY codes, we propose a model for the explosion and expansion of ejecta that explains the observed experimental data where the materials initially located in the centralmore » region of the star end up on the periphery of the cloud of ejecta.« less

Evaluation of the new EMAC-SWIFT chemistry climate model

NASA Astrophysics Data System (ADS)

Scheffler, Janice; Langematz, Ulrike; Wohltmann, Ingo; Rex, Markus

2016-04-01

It is well known that the representation of atmospheric ozone chemistry in weather and climate models is essential for a realistic simulation of the atmospheric state. Including atmospheric ozone chemistry into climate simulations is usually done by prescribing a climatological ozone field, by including a fast linear ozone scheme into the model or by using a climate model with complex interactive chemistry. While prescribed climatological ozone fields are often not aligned with the modelled dynamics, a linear ozone scheme may not be applicable for a wide range of climatological conditions. Although interactive chemistry provides a realistic representation of atmospheric chemistry such model simulations are computationally very expensive and hence not suitable for ensemble simulations or simulations with multiple climate change scenarios. A new approach to represent atmospheric chemistry in climate models which can cope with non-linearities in ozone chemistry and is applicable to a wide range of climatic states is the Semi-empirical Weighted Iterative Fit Technique (SWIFT) that is driven by reanalysis data and has been validated against observational satellite data and runs of a full Chemistry and Transport Model. SWIFT has recently been implemented into the ECHAM/MESSy (EMAC) chemistry climate model that uses a modular approach to climate modelling where individual model components can be switched on and off. Here, we show first results of EMAC-SWIFT simulations and validate these against EMAC simulations using the complex interactive chemistry scheme MECCA, and against observations.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gisler, Galen R.; Weaver, R. P.; Mader, Charles L.

Kick-em Jenny, in the Eastern Caribbean, is a submerged volcanic cone that has erupted a dozen or more times since its discovery in 1939. The most likely hazard posed by this volcano is to shipping in the immediate vicinity (through volcanic missiles or loss-of-buoyancy), but it is of interest to estimate upper limits on tsunamis that might be produced by a catastrophic explosive eruption. To this end, we have performed two-dimensional simulations of such an event in a geometry resembling that of Kick-em Jenny with our SAGE adaptive mesh Eulerian multifluid compressible hydrocode. We use realistic equations of state formore » air, water, and basalt, and follow the event from the initial explosive eruption, through the generation of a transient water cavity and the propagation of waves away from the site. We find that even for extremely catastrophic explosive eruptions, tsunamis from Kick-em Jenny are unlikely to pose significant danger to nearby islands. For comparison, we have also performed simulations of explosive eruptions at the much larger shield volcano Vailuluu in the Samoan chain, where the greater energy available can produce a more impressive wave. In general, however, we conclude that explosive eruptions do not couple well to water waves. The waves that are produced from such events are turbulent and highly dissipative, and don't propagate well. This is consistent with what we have found previously in simulations of asteroid-impact generated tsunamis. Non-explosive events, however, such as landslides or gas hydrate releases, do couple well to waves, and our simulations of tsunamis generated by subaerial and sub-aqueous landslides demonstrate this.« less

Revival of the fittest: exploding core-collapse supernovae from 12 to 25 M⊙

NASA Astrophysics Data System (ADS)

Vartanyan, David; Burrows, Adam; Radice, David; Skinner, M. Aaron; Dolence, Joshua

2018-07-01

We present results of 2D axisymmetric core-collapse supernova simulations, employing the FORNAX code, of nine progenitor models spanning 12 to 25 M⊙. Four of the models explode with inelastic scattering off electrons and neutrons as well as the many-body correction to neutrino-nucleon scattering opacities. We show that these four models feature sharp Si-O interfaces in their density profiles, and that the corresponding dip in density reduces the accretion rate around the stalled shock and prompts explosion. The non-exploding models lack such a steep feature, highlighting the Si-O interface as one key to explosion. Furthermore, we show that all of the non-exploding models can be nudged to explosion with modest changes to macrophysical inputs, including moderate rotation and perturbations to infall velocities, as well as to microphysical inputs, including reasonable changes to neutrino-nucleon interaction rates, suggesting that all the models are perhaps close to criticality. Exploding models have energies of a few × 1050 erg at the end of our simulation, and are rising, emphasizing the need to continue these simulations over larger grids and for longer times to reproduce the energies seen in nature. Morphology of the explosion contributes to the explosion energy, with more isotropic ejecta producing larger explosion energies. We do not find evidence for the Lepton-number Emission Self-sustained Asymmetry. Finally, we look at proto-neutron star (PNS) properties and explore the role of dimension in our simulations. We find that convection in the PNS produces larger PNS radii as well as greater `νμ' luminosities in 2D compared to 1D.

Revival of the Fittest: Exploding Core-Collapse Supernovae from 12 to 25 M⊙

NASA Astrophysics Data System (ADS)

Vartanyan, David; Burrows, Adam; Radice, David; Skinner, M. Aaron; Dolence, Joshua

2018-03-01

We present results of 2D axisymmetric core-collapse supernova simulations, employing the FORNAX code, of nine progenitor models spanning 12 to 25 M⊙. Four of the models explode with inelastic scattering off electrons and neutrons as well as the many-body correction to neutrino-nucleon scattering opacities. We show that these four models feature sharp Si-O interfaces in their density profiles, and that the corresponding dip in density reduces the accretion rate around the stalled shock and prompts explosion. The non-exploding models lack such a steep feature, highlighting the Si-O interface as one key to explosion. Furthermore, we show that all of the non-exploding models can be nudged to explosion with modest changes to macrophysical inputs, including moderate rotation and perturbations to infall velocities, as well as to microphysical inputs, including reasonable changes to neutrino-nucleon interaction rates, suggesting that all the models are perhaps close to criticality. Exploding models have energies of few × 1050 ergs at the end of our simulation, and are rising, emphasizing the need to continue these simulations over larger grids and for longer times to reproduce the energies seen in Nature. Morphology of the explosion contributes to the explosion energy, with more isotropic ejecta producing larger explosion energies. We do not find evidence for the Lepton-number Emission Self-Sustained Asymmetry. Finally, we look at PNS properties and explore the role of dimension in our simulations. We find that convection in the proto-neutron star (PNS) produces larger PNS radii as well as greater "νμ" luminosities in 2D compared to 1D.

On the high fidelity simulation of chemical explosions and their interaction with solid particle clouds

NASA Astrophysics Data System (ADS)

Balakrishnan, Kaushik

The flow field behind chemical explosions in multiphase environments is investigated using a robust, state-of-the-art simulation strategy that accounts for the thermodynamics, gas dynamics and fluid mechanics of relevance to the problem. Focus is laid on the investigation of blast wave propagation, growth of hydrodynamic instabilities behind explosive blasts, the mixing aspects behind explosions, the effects of afterburn and its quantification, and the role played by solid particles in these phenomena. In particular, the confluence and interplay of these different physical phenomena are explored from a fundamental perspective, and applied to the problem of chemical explosions. A solid phase solver suited for the study of high-speed, two-phase flows has been developed and validated. This solver accounts for the inter-phase mass, momentum and energy transfer through empirical laws, and ensures two-way coupling between the two phases, viz. solid particles and gas. For dense flow fields, i.e., when the solid volume fraction becomes non-negligible (˜60%), the finite volume method with a Godunov type shock-capturing scheme requires modifications to account for volume fraction gradients during the computation of cell interface gas fluxes. To this end, the simulation methodology is extended with the formulation of an Eulerian gas, Lagrangian solid approach, thereby ensuring that the so developed two-phase simulation strategy can be applied for both flow conditions, dilute and dense alike. Moreover, under dense loading conditions the solid particles inevitably collide, which is accounted for in the current research effort with the use of an empirical collision/contact model from literature. Furthermore, the post-detonation flow field consists of gases under extreme temperature and pressure conditions, necessitating the use of real gas equations of state in the multiphase model. This overall simulation strategy is then extended to the investigation of chemical explosions in multiphase environments, with emphasis on the study of hydrodynamic instability growth, mixing, afterburn effects ensuing from the process, particle ignition and combustion (if reactive), dispersion, and their interaction with the vortices in the mixing layer. The post-detonation behavior of heterogeneous explosives is addressed by using three parts to the investigation. In the first part, only one-dimensional effects are considered, with the goal to assess the presently developed dense two-phase formulation. The total deliverable impulsive loading from heterogeneous explosive charges containing inert steel particles is estimated for a suite of operating parameters and compared, and it is demonstrated that heterogeneous explosive charges deliver a higher near-field impulse than homogeneous explosive charges containing the same mass of the high explosive. In the second part, three-dimensional effects such as hydrodynamic instabilities are accounted for, with the focus on characterizing the mixing layer ensuing from the detonation of heterogeneous explosive charges containing inert steel particles. It is shown that particles introduce significant amounts of hydrodynamic instabilities in the mixing layer, resulting in additional physical phenomena that play a prominent role in the flow features. In particular, the fluctuation intensities, fireball size and growth rates are augmented for heterogeneous explosions vis-a-vis homogeneous explosions, thereby demonstrating that solid particles enhance the perturbation intensities in the flow. In the third part of the investigation of heterogeneous explosions, dense, aluminized explosions are considered, and the particles are observed to burn in two phases, with an initial quenching due to the rarefaction wave, and a final quenching outside the fireball. Due to faster response time scales, smaller particles are observed to heat and accelerate more during early times, and also cool and decelerate more at late times, compared to counterpart larger particle sizes. Furthermore, the average particle velocities at late times are observed to be independent of the initial solid volume fraction in the explosive charge, as the particles eventually reach an equilibrium with the local gas. These studies have provided some crucial insights to the flow physics of dense, aluminized explosives. (Abstract shortened by UMI.)

Theoretical insights into effects of molar ratios on stabilities, mechanical properties and detonation performance of CL-20/RDX cocrystal explosives by molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Hang, Gui-yun; Yu, Wen-li; Wang, Tao; Wang, Jin-tao; Li, Zhen

2017-08-01

The CL-20/RDX cocrystal models with different molar ratios were established by substitution method and molecular dynamics (MD) simulation method was applied to investigate the influences of molar ratios on mechanical properties, stabilities and detonation performance of cocrystal explosives. The crystal parameters, structures, binding energies, mechanical properties and some detonation parameters of different cocrystal explosives were got and compared. The results illustrate that the molar ratio has a direct influence on properties of cocrystal explosive and each of the cocrystal model holds different mechanical properties, binding energies and detonation parameters. The mechanical properties of CL-20/RDX cocrystal explosive can be effectively improved and the cocrystal model with molar ratio in 1:1 has the best mechanical properties. Besides, it has the highest binding energy, so the stability and compatibility is the best. The detonation parameters show that the cocrystal explosive has better detonation performance than RDX. In a word, the cocrystal explosive with molar ratio in 1:1 has the best mechanical properties, highest binding energy and excellent energy density and detonation performance, it is quite promising and can satisfy the requirements of high energy density compounds (HEDC). This paper could offer some theoretical instructions and novel insights for the CL-20 cocrystal explosive designing.

Dynamic Fracture Behavior of Plastic-Bonded Explosives

NASA Astrophysics Data System (ADS)

Fu, Hua; Li, Jun-Ling; Tan, Duo-Wang; Ifp, Caep Team

2011-06-01

Plastic-Bonded Explosives (PBX) are used as important energetic materials in nuclear or conventional weapons. Arms Warhead in the service process and the ballistic phase, may experience complex process such as long pulse and higher loading, compresson, tension and reciprocating compression - tension, friction with the projectile shell, which would lead to explosive deformation and fracture.And the dynamic deformation and fracture behavior of PBX subsequently affect reaction characteristics and initiation mechanism in explosives, then having influence on explosives safety. The dynamic fracure behavior of PBX are generally complex and not well studied or understood. In this paper, the dynamic fracture of explosives are conducted using a Kolsky bar. The Brazilian test, also known as a indirect tensile test or splitting test, is chosen as the test method. Tensile strength under different strain rates are obtained using quartz crystal embedded in rod end. The dynamic deformation and fracture process are captured in real-time by high-speed digital camera, and the displacement and strain fields distribution before specimen fracture are obtained by digital correlation method. Considering the non-uniform microstructure of explosives,the dynamic fracture behavior of explosive are simulated by discrete element method, the simulation results can reproduce the deformation and fracture process in Brazilian test using a maximum tensile strain criterion.

The use of triangle diagram in the detection of explosive and illicit drugs

NASA Astrophysics Data System (ADS)

Sudac, Davorin; Baricevic, Martina; Obhodas, Jasmina; Franulovic, Andrej; Valkovic, Vladivoj

2010-04-01

A tagged neutron inspection system has been used for the detection of explosive and illicite drugs. Simulant of the RDX explosive was measured in different environments and its gamma ray spectra were compared with the gamma ray spectra of benign materials like paper, sugar and rise. "Fingerprint" of the RDX simulant was found by detecting the nitrogen as well as by making the triangle plot which coordinates show the carbon and oxygen content and density. Density was obtained by measuring the intensity of the transmited tagged neutrons. Hence, the presence of the simulant can be confirmed by using two different methods. The possibility of using the triangle plot for detection of illicit drugs like heroin, cocain and marihuana is also discused.

Simulation of the detonation process of an ammonium nitrate based emulsion explosive using the Lee-Tarver reactive flow model

NASA Astrophysics Data System (ADS)

Ribeiro, Jose; Silva, Cristovao; Mendes, Ricardo; Plaksin, Igor; Campos, Jose

2011-06-01

The use of emulsion explosives [EEx] for processing materials (compaction, welding and forming) requires the ability to perform detailed simulations of its detonation process [DP]. Detailed numerical simulations of the DP of this kind of explosives, characterized by having a finite reaction zone thickness, are thought to be suitable performed using the Lee-Tarver reactive flow model. In this work a real coded genetic algorithm methodology was used to estimate the 15 parameters of the reaction rate equation [RRE] of that model for a particular EEx. This methodology allows, in a single optimization procedure, using only one experimental result and without the need of any starting solution, to seek for the 15 parameters of the RRE that fit the numerical to the experimental results. Mass averaging and the Plate-Gap Model have been used for the determination of the shock data used in the unreacted explosive JWL EoS assessment and the thermochemical code THOR retrieved the data used in the detonation products JWL EoS assessment. The obtained parameters allow a good description of the experimental data and show some peculiarities arising from the intrinsic nature of this kind of composite explosive.

Laser Simulations of the Destructive Impact of Nuclear Explosions on Hazardous Asteroids

NASA Astrophysics Data System (ADS)

Aristova, E. Yu.; Aushev, A. A.; Baranov, V. K.; Belov, I. A.; Bel'kov, S. A.; Voronin, A. Yu.; Voronich, I. N.; Garanin, R. V.; Garanin, S. G.; Gainullin, K. G.; Golubinskii, A. G.; Gorodnichev, A. V.; Denisova, V. A.; Derkach, V. N.; Drozhzhin, V. S.; Ericheva, I. A.; Zhidkov, N. V.; Il'kaev, R. I.; Krayukhin, A. A.; Leonov, A. G.; Litvin, D. N.; Makarov, K. N.; Martynenko, A. S.; Malinov, V. I.; Mis'ko, V. V.; Rogachev, V. G.; Rukavishnikov, A. N.; Salatov, E. A.; Skorochkin, Yu. V.; Smorchkov, G. Yu.; Stadnik, A. L.; Starodubtsev, V. A.; Starodubtsev, P. V.; Sungatullin, R. R.; Suslov, N. A.; Sysoeva, T. I.; Khatunkin, V. Yu.; Tsoi, E. S.; Shubin, O. N.; Yufa, V. N.

2018-01-01

We present the results of preliminary experiments at laser facilities in which the processes of the undeniable destruction of stony asteroids (chondrites) in space by nuclear explosions on the asteroid surface are simulated based on the principle of physical similarity. We present the results of comparative gasdynamic computations of a model nuclear explosion on the surface of a large asteroid and computations of the impact of a laser pulse on a miniature asteroid simulator confirming the similarity of the key processes in the fullscale and model cases. The technology of fabricating miniature mockups with mechanical properties close to those of stony asteroids is described. For mini-mockups 4-10 mm in size differing by the shape and impact conditions, we have made an experimental estimate of the energy threshold for the undeniable destruction of a mockup and investigated the parameters of its fragmentation at a laser energy up to 500 J. The results obtained confirm the possibility of an experimental determination of the criteria for the destruction of asteroids of various types by a nuclear explosion in laser experiments. We show that the undeniable destruction of a large asteroid is possible at attainable nuclear explosion energies on its surface.

46 CFR 194.15-5 - Ventilation.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 7 2010-10-01 2010-10-01 false Ventilation. 194.15-5 Section 194.15-5 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194...

46 CFR 194.15-11 - Flushing systems.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 7 2010-10-01 2010-10-01 false Flushing systems. 194.15-11 Section 194.15-11 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory...

46 CFR 194.15-7 - Fire protection.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 7 2010-10-01 2010-10-01 false Fire protection. 194.15-7 Section 194.15-7 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory...

46 CFR 194.15-5 - Ventilation.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 7 2013-10-01 2013-10-01 false Ventilation. 194.15-5 Section 194.15-5 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194...

46 CFR 194.15-7 - Fire protection.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 7 2013-10-01 2013-10-01 false Fire protection. 194.15-7 Section 194.15-7 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory...

46 CFR 194.15-11 - Flushing systems.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 7 2013-10-01 2013-10-01 false Flushing systems. 194.15-11 Section 194.15-11 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory...

46 CFR 194.15-3 - Responsibility.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 7 2013-10-01 2013-10-01 false Responsibility. 194.15-3 Section 194.15-3 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194...

A simulation study of fast neutron interrogation for standoff detection of improvised explosive devices

NASA Astrophysics Data System (ADS)

Heider, S. A.; Dunn, W. L.

2015-11-01

The signature-based radiation-scanning technique utilizes radiation detector responses, called "signatures," and compares these to "templates" in order to differentiate targets that contain certain materials, such as explosives or drugs, from those that do not. Our investigations are aimed at the detection of nitrogen-rich explosives contained in improvised explosive devices. We use the term "clutter" to refer to any non-explosive materials with which the interrogating radiation may interact between source and detector. To deal with the many target types and clutter configurations that may be encountered in the field, the use of "artificial templates" is proposed. The MCNP code was used to simulate 14.1 MeV neutron source beams incident on one type of target containing various clutter and sample materials. Signatures due to inelastic-scatter and prompt-capture gamma rays from hydrogen, carbon, nitrogen, and oxygen and two scattered neutron signatures were considered. Targets containing explosive materials in the presence of clutter were able to be identified from targets that contained only non-explosive ("inert") materials. This study demonstrates that a finite number of artificial templates is sufficient for IED detection with fairly good sensitivity and specificity.

Explosive particle soil surface dispersion model for detonated military munitions.

PubMed

Hathaway, John E; Rishel, Jeremy P; Walsh, Marianne E; Walsh, Michael R; Taylor, Susan

2015-07-01

The accumulation of high explosive mass residue from the detonation of military munitions on training ranges is of environmental concern because of its potential to contaminate the soil, surface water, and groundwater. The US Department of Defense wants to quantify, understand, and remediate high explosive mass residue loadings that might be observed on active firing ranges. Previously, efforts using various sampling methods and techniques have resulted in limited success, due in part to the complicated dispersion pattern of the explosive particle residues upon detonation. In our efforts to simulate particle dispersal for high- and low-order explosions on hypothetical firing ranges, we use experimental particle data from detonations of munitions from a 155-mm howitzer, which are common military munitions. The mass loadings resulting from these simulations provide a previously unattained level of detail to quantify the explosive residue source-term for use in soil and water transport models. In addition, the resulting particle placements can be used to test, validate, and optimize particle sampling methods and statistical models as applied to firing ranges. Although the presented results are for a hypothetical 155-mm howitzer firing range, the method can be used for other munition types once the explosive particle characteristics are known.

Numerical study on tailoring the shock sensitivity of TATB-based explosives using mesostructural features

NASA Astrophysics Data System (ADS)

Springer, H. Keo

2017-06-01

Advanced manufacturing techniques offer control of explosive mesostructures necessary to tailor its shock sensitivity. However, structure-property relationships are not well established for explosives so there is little material design guidance for these techniques. The objective of this numerical study is to demonstrate how TATB-based explosives can be sensitized to shocks using mesostructural features. For this study, we use LX-17 (92.5%wt TATB, 7.5%wt Kel-F 800) as the prototypical TATB-based explosive. We employ features with different geometries and materials. HMX-based explosive features, high shock impedance features, and pores are used to sensitive the LX-17. Simulations are performed in the multi-physics hydrocode, ALE3D. A reactive flow model is used to simulate the shock initiation response of the explosives. Our metric for shock sensitivity in this study is run distance to detonation as a function of applied pressure. These numerical studies are important because they guide the design of novel energetic materials. This work was performed under the auspices of the United States Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-ABS-724986.

Phase field model of the nanoscale evolution during the explosive crystallization phenomenon

NASA Astrophysics Data System (ADS)

Lombardo, S. F.; Boninelli, S.; Cristiano, F.; Deretzis, I.; Grimaldi, M. G.; Huet, K.; Napolitani, E.; La Magna, A.

2018-03-01

Explosive crystallization is a well known phenomenon occurring due to the thermodynamic instability of strongly under-cooled liquids, which is particularly relevant in pulsed laser annealing processes of amorphous semiconductor materials due to the globally exothermic amorphous-to-liquid-to-crystal transition pathway. In spite of the assessed understanding of this phenomenon, quantitative predictions of the material kinetics promoted by explosive crystallization are hardly achieved due to the lack of a consistent model able to simulate the concurrent kinetics of the amorphous-liquid and liquid-crystal interfaces. Here, we propose a multi-well phase-field model specifically suited for the simulation of explosive crystallization induced by pulsed laser irradiation in the nanosecond time scale. The numerical implementation of the model is robust despite the discontinuous jumps of the interface speed induced by the phenomenon. The predictive potential of the simulations is demonstrated by means of comparisons of the modelling predictions with experimental data in terms of in situ reflectivity measurements and ex-situ micro-structural and chemical characterization.

Large Scale Supernova Structure from Pre- and Post-Explosion Convection

NASA Astrophysics Data System (ADS)

Young, Patrick A.; Vance, Gregory; Ellinger, Carola; Fryer, Chris

2017-06-01

We present results of 3D supernova simulations with initial conditions drawn from 3D models of late stage stellar convection. Simulations are performed with the supernova-optimized smooth particle hydrodynamics code SNSPH and postprocessed using a 522 isotope nuclear reaction network. The simulations also have a non-fixed central compact object that is free to accrete momentum from fall back material. It has been established that neutrino-driven convection can produce large asymmetries in the explosion, but the effects caused by convective anisotropies in late burning shells in the progenitor star and time-varying gravitational potential after the explosion are less well explored. We find that convective motions can result in highly asymmetric overturn of deep layers that are not susceptible to large effects from explosion generated Rayleigh-Taylor and Richtmeyer-Meshkov instabilities. Such overturn can produce regions with a strong alpha-rich freezeout and high iron abundances morphologically similar to the iron-rich structure in the southeast quadrant of Cassiopeia A.

Simulations of Heterogeneous Detonations and Post Detonation Turbulent Mixing and Afterburning

NASA Astrophysics Data System (ADS)

Menon, Suresh; Gottiparthi, Kalyana

2011-06-01

Most metal-loaded explosives and thermobaric explosives exploit the afterburning of metals to maintain pressure and temperature conditions.The use of such explosives in complex environment can result in post detonation flow containing many scales of vortical motion, flow jetting and shear, as well as plume-surface interactions due to flow impingement and wall flows. In general, all these interactions can lead to highly turbulent flow fields even if the initial ambient conditions were quiescent. Thus, turbulent mixing can dominate initial mixing and impact the final afterburn. We conduct three-dimensional numerical simulations of the propagation of detonation resulting from metal-loaded (inert or reacting) explosives and analyze the afterburn process as well as the generation of multiple scales of mixing in the post detonation flow field. Impact of the detonation and post-detonation flow field on solid surface is also considered for a variety of initial conditions. Comparison with available data is carried out to demonstrate validity of the simulation method. Supported by Defense Threat Reduction Agency

Numerical Study of Underwater Explosions and Following Bubble Pulses

NASA Astrophysics Data System (ADS)

Abe, Atsushi; Katayama, Masahide; Murata, Kenji; Kato, Yukio; Tanaka, Katsumi

2007-06-01

Underwater explosions and following bubble pulses were simulated by using the hydrocode AUTODYN. The pressure gradient depended on the water depth was applied to the water, and the effects of the atmospheric pressure and the gravity on the bubble properties were investigated numerically. In the deep and shallow water depth cases the bubble properties or pressure histories obtained numerically were compared with the empirical formula or the experimental data. Not only the pressure gradient in the water and the atmospheric pressure but also the application of the JWL EOS to slow energy release of the non-ideal explosive (Miller model) were found to be of great importance to simulate the generation of the bubble pulse precisely. Although the gravitational term during the dynamic analysis can be neglected in numerical analyses for very short time phenomena, it is indispensable to simulate the buoyancy of the bubble because the time range of the bubble behavior is some hundred times longer than that of the explosion phenomena.

Macro-Scale Reactive Flow Model for High-Explosive Detonation in Support of ASCI Weapon Safety Milepost

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reaugh, J E

2002-01-03

Explosive grain-scale simulations are not practical for weapon safety simulations. Indeed for nearly ideal explosives with reaction zones of order 500 {micro}m, even reactive flow models are not practical for weapon safety simulations. By design, reactive flow models must resolve the reaction zone, which implies computational cells with dimension of order 50 {micro}m for such explosives. The desired result for a simulation in which the reaction zone is not resolved is that the explosive behaves as an ideal one. The pressure at the shock front rises to the Chapman-Jouget (CJ) pressure with a reaction zone dimension that is like thatmore » of a shock propagating in an unreactive medium, on the order of a few computational cells. It should propagate with the detonation velocity that is determined by the equation of state of the products. In the past, this was achieved in one dimensional simulations with ''beta-burn'', a method in which the extent of conversion to final product is proportional to the approach of the specific volume in the shock front to the specific volume of the CJ state. One drawback with this method is that there is a relatively long build-up to steady detonation that is typically 50 to 100 computational cells. The need for relatively coarsely zoned simulations in two dimensions lead to ''program-burn'' by which the time to detonation can be determined by a simple ray-tracing algorithm when there are no barriers or shadows. Complications arise in two and three dimensions to the extent that some calculations of the lighting time in complex geometry can give incorrect results. We sought to develop a model based on reactive flow that might help the needs of the Weapon Safety Simulation milepost. Important features of the model are: (1) That it be useable with any equation of state description of the explosive product gases including both JWL and LEOS table forms. (2) That it exhibits the desired dependence on zone size. We believe that the model described here does exhibit these features.« less

A two-phase model for aluminized explosives on the ballistic and brisance performance

NASA Astrophysics Data System (ADS)

Kim, Wuhyun; Gwak, Min-cheol; Lee, Young-hun; Yoh, Jack J.

2018-02-01

The performance of aluminized high explosives is considered by varying the aluminum (Al) mass fraction in a heterogeneous mixture model. Since the time scales of the characteristic induction and combustion of high explosives and Al particles differ, the process of energy release behind the leading detonation wave front occurs over an extended period of time. For simulating the performance of aluminized explosives with varying Al mass fraction, HMX (1,3,5,7-tetrahexmine-1,3,5,7-tetrazocane) is considered as a base explosive when formulating the multiphase conservation laws of mass, momentum, and energy exchanges between the HMX product gases and Al particles. In the current study, a two-phase model is utilized in order to determine the effects of the Al mass fraction in a condensed phase explosive. First, two types of confined rate stick tests are considered to investigate the detonation velocity and the acceleration ability, which refers to the radial expansion velocity of the confinement shell. The simulation results of the confined rate stick test are compared with the experimental data for the Al mass fraction range of 0%-25%, and the optimal Al mass fraction is provided, which is consistent with the experimental observations. Additionally, a series of plate dent test simulations are conducted, the results of which show the same tendency as those of the experimental tests with varying Al mass fractions.

Hydrodynamic Modeling of Air Blast Propagation from the Humble Redwood Chemical High Explosive Detonations Using GEODYN

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chipman, V D

Two-dimensional axisymmetric hydrodynamic models were developed using GEODYN to simulate the propagation of air blasts resulting from a series of high explosive detonations conducted at Kirtland Air Force Base in August and September of 2007. Dubbed Humble Redwood I (HR-1), these near-surface chemical high explosive detonations consisted of seven shots of varying height or depth of burst. Each shot was simulated numerically using GEODYN. An adaptive mesh refinement scheme based on air pressure gradients was employed such that the mesh refinement tracked the advancing shock front where sharp discontinuities existed in the state variables, but allowed the mesh to sufficientlymore » relax behind the shock front for runtime efficiency. Comparisons of overpressure, sound speed, and positive phase impulse from the GEODYN simulations were made to the recorded data taken from each HR-1 shot. Where the detonations occurred above ground or were shallowly buried (no deeper than 1 m), the GEODYN model was able to simulate the sound speeds, peak overpressures, and positive phase impulses to within approximately 1%, 23%, and 6%, respectively, of the actual recorded data, supporting the use of numerical simulation of the air blast as a forensic tool in determining the yield of an otherwise unknown explosion.« less

Nuclear Resonance Fluorescence Measurements of High Explosives

DOE Office of Scientific and Technical Information (OSTI.GOV)

Caggiano, Joseph A.; Warren, Glen A.; Korbly, Steve

Pacific Northwest National Laboratory and Passport Systems have collaborated to perform Nuclear Resonance Fluorescence experiments using several high quality high-explosive simulant samples. These measurements were conducted to determine the feasibility of finding and characterizing high explosive material by NRF interrogation. Electron beams of 5.1, 5.3, 8, and 10 MeV were used to produce bremsstrahlung photon beams, which irradiated the samples. The gamma-ray spectra were collected using high-purity germanium detectors. Nitrogen-to-carbon ratios of the high-explosive simulants were extracted from the 5.1 and 5.3 MeV data and compare favorably with accepted values. Analysis of the 8 and 10 MeV data is inmore » progress; preliminary isotopic comparisons within the samples are consistent with the expected results.« less

Fates of the most massive primordial stars

NASA Astrophysics Data System (ADS)

Chen, Ke-Jung; Heger, Alexander; Almgren, Ann; Woosley, Stan

2012-09-01

We present our results of numerical simulations of the most massive primordial stars. For the extremely massive non-rotating Pop III stars over 300Msolar, they would simply die as black holes. But the Pop III stars with initial masses 140 - 260Msolar may have died as gigantic explosions called pair-instability supernovae (PSNe). We use a new radiation-hydrodynamics code CASTRO to study evolution of PSNe. Our models follow the entire explosive burning and the explosion until the shock breaks out from the stellar surface. In our simulations, we find that fluid instabilities occurred during the explosion. These instabilities are driven by both nuclear burning and hydrodynamical instability. In the red supergiant models, fluid instabilities can lead to significant mixing of supernova ejecta and alter the observational signature.

Simulating the Thermal Response of High Explosives on Time Scales of Days to Microseconds

NASA Astrophysics Data System (ADS)

Yoh, Jack J.; McClelland, Matthew A.

2004-07-01

We present an overview of computational techniques for simulating the thermal cookoff of high explosives using a multi-physics hydrodynamics code, ALE3D. Recent improvements to the code have aided our computational capability in modeling the response of energetic materials systems exposed to extreme thermal environments, such as fires. We consider an idealized model process for a confined explosive involving the transition from slow heating to rapid deflagration in which the time scale changes from days to hundreds of microseconds. The heating stage involves thermal expansion and decomposition according to an Arrhenius kinetics model while a pressure-dependent burn model is employed during the explosive phase. We describe and demonstrate the numerical strategies employed to make the transition from slow to fast dynamics.

Tabletop imaging of structural evolutions in chemical reactions demonstrated for the acetylene cation

NASA Astrophysics Data System (ADS)

Ibrahim, Heide; Wales, Benji; Beaulieu, Samuel; Schmidt, Bruno E.; Thiré, Nicolas; Fowe, Emmanuel P.; Bisson, Éric; Hebeisen, Christoph T.; Wanie, Vincent; Giguére, Mathieu; Kieffer, Jean-Claude; Spanner, Michael; Bandrauk, André D.; Sanderson, Joseph; Schuurman, Michael S.; Légaré, François

2014-07-01

The introduction of femto-chemistry has made it a primary goal to follow the nuclear and electronic evolution of a molecule in time and space as it undergoes a chemical reaction. Using Coulomb Explosion Imaging, we have shot the first high-resolution molecular movie of a to and fro isomerization process in the acetylene cation. So far, this kind of phenomenon could only be observed using vacuum ultraviolet light from a free-electron laser. Here we show that 266 nm ultrashort laser pulses are capable of initiating rich dynamics through multiphoton ionization. With our generally applicable tabletop approach that can be used for other small organic molecules, we have investigated two basic chemical reactions simultaneously: proton migration and C=C bond breaking, triggered by multiphoton ionization. The experimental results are in excellent agreement with the timescales and relaxation pathways predicted by new and quantitative ab initio trajectory simulations.

The Effects of Fracture Anisotropy on the Damage Pattern and Seismic Radiation from a Chemical Explosion in a Granite Quarry

NASA Astrophysics Data System (ADS)

Rogers-Martinez, M. A.; Sammis, C. G.; Ezzedine, S. M.

2017-12-01

As part of the New England Damage Experiment (NEDE) a 122.7 kg Heavy ANFO charge was detonated at a depth of 13 m in a granite quarry in Barre Vt. Subsequent drill cores from the source region revealed that most of the resultant fracturing was concentrated in the rift plane of the highly anisotropic Barre granite. We simulated this explosion using a dynamic damage mechanics model embedded in the ABAQUS 3D finite element code. The damage mechanics was made anisotropic by taking the critical stress intensity factor to be a function of azimuth in concert with the physics of interacting parallel fractures and laboratory studies of anisotropic granite. In order to identify the effects of anisotropy, the explosion was also simulated assuming 1) no initial damage (pure elasticity) and 2) isotropic initial damage. For the anisotropic case, the calculated fracture pattern simulated that observed in NEDE. The simulated seismic radiation looked very much like that from a tensile fracture oriented in the rift plane, and similar to the crack-like moment tensor observed in the far field of many nuclear explosions.

46 CFR 194.15-11 - Flushing systems.

Code of Federal Regulations, 2012 CFR

2012-10-01

..., AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194.15-11 Flushing systems. (a) Working spaces in which chemical stores are used shall be equipped with a fresh water supply shower. (b) There shall be a provision for flushing away chemical spills. ...

46 CFR 194.15-11 - Flushing systems.

Code of Federal Regulations, 2014 CFR

2014-10-01

..., AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194.15-11 Flushing systems. (a) Working spaces in which chemical stores are used shall be equipped with a fresh water supply shower. (b) There shall be a provision for flushing away chemical spills. ...

46 CFR 194.15-11 - Flushing systems.

Code of Federal Regulations, 2011 CFR

2011-10-01

..., AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194.15-11 Flushing systems. (a) Working spaces in which chemical stores are used shall be equipped with a fresh water supply shower. (b) There shall be a provision for flushing away chemical spills. ...

46 CFR 194.15-1 - General.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 7 2010-10-01 2010-10-01 false General. 194.15-1 Section 194.15-1 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194.15-1 General...

46 CFR 194.15-9 - Storage.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 7 2010-10-01 2010-10-01 false Storage. 194.15-9 Section 194.15-9 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194.15-9 Storage...

Sharing chemical structures with peer-reviewed publications. Are we there yet?

EPA Science Inventory

In the domain of chemistry one of the greatest benefits to publishing research is that data are shared. Unfortunately, the vast majority of chemical structure data remain locked up in document form, primarily as PDF files. Despite the explosive growth of online chemical databases...

46 CFR 194.15-9 - Storage.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 7 2013-10-01 2013-10-01 false Storage. 194.15-9 Section 194.15-9 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194.15-9 Storage...

46 CFR 194.15-1 - General.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 7 2013-10-01 2013-10-01 false General. 194.15-1 Section 194.15-1 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194.15-1 General...

46 CFR 194.15-9 - Storage.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 46 Shipping 7 2014-10-01 2014-10-01 false Storage. 194.15-9 Section 194.15-9 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194.15-9 Storage...

46 CFR 194.15-9 - Storage.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 46 Shipping 7 2012-10-01 2012-10-01 false Storage. 194.15-9 Section 194.15-9 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194.15-9 Storage...

46 CFR 194.15-9 - Storage.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 7 2011-10-01 2011-10-01 false Storage. 194.15-9 Section 194.15-9 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and Scientific Laboratory § 194.15-9 Storage...

Validation of a Simulation Process for Assessing the Response of a Vehicle and Its Occupants to an Explosive Threat

DTIC Science & Technology

2010-01-01

gross vehicle response; and the effects of blast mitigation material, restraint system, and seat design to the loads developed on the members of an...occupant. A Blast Event Simulation sysTem (BEST) has been developed for facilitating the easy use of the LS- DYNA solvers for conducting a...et al, 1999] for modeling blast events. In this paper the Eulerian solver of LS- DYNA is employed for simulating the soil – explosive – air

Signs of Asymmetry in Exploding Stars

NASA Astrophysics Data System (ADS)

Hensley, Kerry

2018-03-01

Supernova explosions enrich the interstellar medium and can even briefly outshine their host galaxies. However, the mechanism behind these massive explosions still isnt fully understood. Could probing the asymmetry of supernova remnants help us better understand what drives these explosions?Hubble image of the remnant of supernova 1987A, one of the first remnants discovered to be asymmetrical. [ESA/Hubble, NASA]Stellar Send-OffsHigh-mass stars end their lives spectacularly. Each supernova explosion churns the interstellar medium and unleashes high-energy radiation and swarms of neutrinos. Supernovae also suffuse the surrounding interstellar medium with heavy elements that are incorporated into later generations of stars and the planets that form around them.The bubbles of expanding gas these explosions leave behind often appear roughly spherical, but mounting evidence suggests that many supernova remnants are asymmetrical. While asymmetry in supernova remnants can arise when the expanding material plows into the non-uniform interstellar medium, it can also be an intrinsic feature of the explosion itself.Simulation results clockwise from top left: Mass density, calcium mass fraction, oxygen mass fraction, nickel-56 mass fraction. Click to enlarge. [Adapted from Wollaeger et al. 2017]Coding ExplosionsThe presence or absence of asymmetry in a supernova remnant can hold clues as to what drove the explosion. But how can we best observe asymmetry in a supernova remnant? Modeling lets us explore different observational approaches.A team of scientists led by Ryan T. Wollaeger (Los Alamos National Laboratory) used radiative transfer and radiative hydrodynamics simulations to model the explosion of a core-collapse supernova. Wollaeger and collaborators introduced asymmetry into the explosion by creating a single-lobed, fast-moving outflow along one axis.Their simulations showed that while some chemical elements lingered near the origin of the explosion or were distributed evenly throughout the remnant, calcium was isolated to the asymmetrical region, hinting that spectral lines of calcium may be good tracersof asymmetry.Bolometric (top) and gamma-ray (bottom) synthetic light curves for the authors model for a range of simulated viewing angles. [Adapted from Wollaeger et al. 2017]Synthesizing SpectraWollaeger and collaborators then generated synthetic light curves and spectra from their models to determine which spectral features or characteristics indicated the presence of the asymmetric outflow lobe. They found that when an asymmetric outflow lobe is present, the peak luminosity of the explosion depends on the angle at which you view it; the highest luminosity occurs when the lobe is viewed from the side, while the lowest luminosity nearly40%dimmer is seen when the explosion is viewed down the barrel of the lobe. The dense outflow shades the central radioactive source from view, lowering the luminosity.This effect also plays out in the gamma-ray light curves; when viewed down the barrel, the shading of the central source by ahigh-density lobe slows the rise of the gamma-ray luminosity and changes the shape of the light curve compared to views from other vantage points.Another promising avenue for exploring asymmetry is a near-infrared band encompassing an emission line of singly-ionized calcium near 815 nm. Since calcium is confined within the outflow lobe in the simulation, its emission lines are blueshifted when the lobe points toward the observer.The authors point out that there is much more to be done in their models, such as including the effects of shock heating of circumstellar material, which can contribute strongly to the light curve, but these simulations bring us a step closer to understanding the nature of asymmetrical supernova remnants and the explosions that create them.CitationRyan T. Wollaeger et al 2017ApJ845168. doi:10.3847/1538-4357/aa82bd

Study of premixing phase of steam explosion with JASMINE code in ALPHA program

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moriyama, Kiyofumi; Yamano, Norihiro; Maruyama, Yu

Premixing phase of steam explosion has been studied in ALPHA Program at Japan Atomic Energy Research Institute (JAERI). An analytical model to simulate the premixing phase, JASMINE (JAERI Simulator for Multiphase Interaction and Explosion), has been developed based on a multi-dimensional multi-phase thermal hydraulics code MISTRAL (by Fuji Research Institute Co.). The original code was extended to simulate the physics in the premixing phenomena. The first stage of the code validation was performed by analyzing two mixing experiments with solid particles and water: the isothermal experiment by Gilbertson et al. (1992) and the hot particle experiment by Angelini et al.more » (1993) (MAGICO). The code predicted reasonably well the experiments. Effectiveness of the TVD scheme employed in the code was also demonstrated.« less

Revival of the fittest: exploding core-collapse supernovae from 12 to 25 M⊙

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vartanyan, David; Burrows, Adam; Radice, David

Here, we present results of 2D axisymmetric core-collapse supernova simulations, employing the FORNAX code, of nine progenitor models spanning 12 to 25 M⊙. Four of the models explode with inelastic scattering off electrons and neutrons as well as the many-body correction to neutrino-nucleon scattering opacities. We show that these four models feature sharp Si–O interfaces in their density profiles, and that the corresponding dip in density reduces the accretion rate around the stalled shock and prompts explosion. The non-exploding models lack such a steep feature, highlighting the Si–O interface as one key to explosion. Furthermore, we show that all ofmore » the non-exploding models can be nudged to explosion with modest changes to macrophysical inputs, including moderate rotation and perturbations to infall velocities, as well as to microphysical inputs, including reasonable changes to neutrino-nucleon interaction rates, suggesting that all the models are perhaps close to criticality. Exploding models have energies of a few × 10 50 erg at the end of our simulation, and are rising, emphasizing the need to continue these simulations over larger grids and for longer times to reproduce the energies seen in nature. Morphology of the explosion contributes to the explosion energy, with more isotropic ejecta producing larger explosion energies. We do not find evidence for the Lepton-number Emission Self-sustained Asymmetry. Finally, we look at proto-neutron star (PNS) properties and explore the role of dimension in our simulations. We find that convection in the PNS produces larger PNS radii as well as greater ‘ν μ’ luminosities in 2D compared to 1D.« less

Nuclear subsurface explosion modeling and hydrodynamic fragmentation simulation of hazardous asteroids

NASA Astrophysics Data System (ADS)

Premaratne, Pavithra Dhanuka

Disruption and fragmentation of an asteroid using nuclear explosive devices (NEDs) is a highly complex yet a practical solution to mitigating the impact threat of asteroids with short warning time. A Hypervelocity Asteroid Intercept Vehicle (HAIV) concept, developed at the Asteroid Deflection Research Center (ADRC), consists of a primary vehicle that acts as kinetic impactor and a secondary vehicle that houses NEDs. The kinetic impactor (lead vehicle) strikes the asteroid creating a crater. The secondary vehicle will immediately enter the crater and detonate its nuclear payload creating a blast wave powerful enough to fragment the asteroid. The nuclear subsurface explosion modeling and hydrodynamic simulation has been a challenging research goal that paves the way an array of mission critical information. A mesh-free hydrodynamic simulation method, Smoothed Particle Hydrodynamics (SPH) was utilized to obtain both qualitative and quantitative solutions for explosion efficiency. Commercial fluid dynamics packages such as AUTODYN along with the in-house GPU accelerated SPH algorithms were used to validate and optimize high-energy explosion dynamics for a variety of test cases. Energy coupling from the NED to the target body was also examined to determine the effectiveness of nuclear subsurface explosions. Success of a disruption mission also depends on the survivability of the nuclear payload when the secondary vehicle approaches the newly formed crater at a velocity of 10 km/s or higher. The vehicle may come into contact with debris ejecting the crater which required the conceptual development of a Whipple shield. As the vehicle closes on the crater, its skin may also experience extreme temperatures due to heat radiated from the crater bottom. In order to address this thermal problem, a simple metallic thermal shield design was implemented utilizing a radiative heat transfer algorithm and nodal solutions obtained from hydrodynamic simulations.

Field measurements and modeling of wave propagation and subsequent weak layer failure in snow due to explosive loading

NASA Astrophysics Data System (ADS)

Simioni, Stephan; Sidler, Rolf; Dual, Jürg; Schweizer, Jürg

2015-04-01

Avalanche control by explosives is among the key temporary preventive measures. Yet, little is known about the mechanism involved in releasing avalanches by the effect of an explosion. Here, we test the hypothesis that the stress induced by acoustic waves exceeds the strength of weak snow layers. Consequently the snow fails and the onset of rapid crack propagation might finally lead to the release of a snow slab avalanche. We performed experiments with explosive charges over a snowpack. We installed microphones above the snowpack to measure near-surface air pressure and accelerometers within three snow pits. We also recorded pit walls of each pit with high speed cameras to detect weak layer failure. Empirical relationships and a priori information from ice and air were used to characterize a porous layered model from density measurements of snow profiles in the snow pits. This model was used to perform two-dimensional numerical simulations of wave propagation in Biot-type porous material. Locations of snow failure were identified in the simulation by comparing the axial and deviatoric stress field of the simulation to the corresponding snow strength. The identified snow failure locations corresponded well with the observed failure locations in the experiment. The acceleration measured in the snowpack best correlated with the modeled acceleration of the fluid relative to the ice frame. Even though the near field of the explosion is expected to be governed by non-linear effects as for example the observed supersonic wave propagation in the air above the snow surface, the results of the linear poroelastic simulation fit well with the measured air pressure and snowpack accelerations. The results of this comparison are an important step towards quantifying the effectiveness of avalanche control by explosives.

Revival of the fittest: exploding core-collapse supernovae from 12 to 25 M⊙

DOE PAGES

Vartanyan, David; Burrows, Adam; Radice, David; ...

2018-03-28

Here, we present results of 2D axisymmetric core-collapse supernova simulations, employing the FORNAX code, of nine progenitor models spanning 12 to 25 M⊙. Four of the models explode with inelastic scattering off electrons and neutrons as well as the many-body correction to neutrino-nucleon scattering opacities. We show that these four models feature sharp Si–O interfaces in their density profiles, and that the corresponding dip in density reduces the accretion rate around the stalled shock and prompts explosion. The non-exploding models lack such a steep feature, highlighting the Si–O interface as one key to explosion. Furthermore, we show that all ofmore » the non-exploding models can be nudged to explosion with modest changes to macrophysical inputs, including moderate rotation and perturbations to infall velocities, as well as to microphysical inputs, including reasonable changes to neutrino-nucleon interaction rates, suggesting that all the models are perhaps close to criticality. Exploding models have energies of a few × 10 50 erg at the end of our simulation, and are rising, emphasizing the need to continue these simulations over larger grids and for longer times to reproduce the energies seen in nature. Morphology of the explosion contributes to the explosion energy, with more isotropic ejecta producing larger explosion energies. We do not find evidence for the Lepton-number Emission Self-sustained Asymmetry. Finally, we look at proto-neutron star (PNS) properties and explore the role of dimension in our simulations. We find that convection in the PNS produces larger PNS radii as well as greater ‘ν μ’ luminosities in 2D compared to 1D.« less

Los Alamos RAGE Simulations of the HAIV Mission Concept

NASA Technical Reports Server (NTRS)

Weaver, Robert P.; Barbee, Brent W.; Wie, Bong; Zimmerman, Ben

2015-01-01

The mitigation of potentially hazardous objects (PHOs) can be accomplished by a variety of methods including kinetic impactors, gravity tractors and several nuclear explosion options. Depending on the available lead time prior to Earth impact, non- nuclear options can be very effective at altering a PHOs orbit. However if the warning time is short nuclear options are generally deemed most effective at mitigating the hazard. The NIAC mission concept for a nuclear mission has been presented at several meetings, including the last PDC (2013).We use the adaptive mesh hydrocode RAGE to perform detailed simulations of this Hypervelocity Asteroid Intercept Vehicle (HAIV) mission concept. We use the RAGE code to simulate the crater formation by the kinetic impactor as well as the explosion and energy coupling from the follower nuclear explosive device (NED) timed to detonate below the original surface to enhance the energy coupling. The RAGE code has been well validated for a wide variety of applications. A parametric study will be shown of the energy and momentum transfer to the target 100 m diameter object: 1) the HAIV mission as planned; 2) a surface explosion and 3) a subsurface (contained) explosion; both 2) and 3) use the same source energy as 1).Preliminary RAGE simulations show that the kinetic impactor will carve out a surface crater on the object and the subsequent NED explosion at the bottom of the crater transfers energy and momentum to the target effectively moving it off its Earth crossing orbit. Figure 1 shows the initial (simplified) RAGE 2D setup geometry for this study. Figure 2 shows the crater created by the kinetic impactor and Figure 3 shows the time sequence of the energy transfer to the target by the NED.

Probing Dynamic Processes in Explosives and Propellants - Science Issues

NASA Astrophysics Data System (ADS)

Moore, David

2017-06-01

Recent experiments on advanced light sources have started to unravel some of the micromechanical behavior of single crystal energetic materials, including void collapse under shock loading and inter-granular failure. These examples just scratch the surface of many extant explosives science issues, which could be elucidated with advanced XFEL-type resources. These include such diverse questions as: How do powders actually compact and what are the spatially and temporally resolved temperature and flow fields generated (especially two-phase flows)? Are there polymorphic effects (if so, how are they spatially distributed)? What are the strain fields during compaction? What happens near surfaces, especially for composite explosives? How is mechanics coupled to chemistry? What are hot spots really? I will provide some history behind these and other questions and point towards how future experiments might be designed to provide some answers.

Cylindrical Explosive Dispersal of Metal Particles: Predictive Calculations in SUpport of Experimental Trials

DTIC Science & Technology

2007-12-11

motivated by an experimental effort at the High Explosives R&D facility at Eglin AFB that aims to simulate dispersal and afterburning effects using dense...3] Ripley, R.C., Donahue, L., Dunbar, T.E., and Zhang, F., Explosion performance of aluminized TNT in a chamber, Proc. 19th Military Aspects of

Surface characterization of an energetic material, pentaerythritoltetranitrate (PETN), having a thin coating achieved through a starved addition microencapsulation technique

DOE Office of Scientific and Technical Information (OSTI.GOV)

Worley, C.M.

The objective of this research was to: (1) determine the nature of a thin coating on an explosive material which was applied using a starved addition microencapsulation technique, (2) understand the coating/crystal bond, and (3) investigate the wettability/adhesion of plastic/solvent combinations using the coating process. The coating used in this work was a Firestone Plastic Company copolymer (FPC-461) of vinylchloride/trifluorochloroethylene in a 1.5/1.0 weight ratio. The energetic explosive examined was pentaerythritoltetranitrate (PETN). The coating process used was starved addition followed by a solvent evaporation technique. Surface analytical studies, completed for characterization of the coating process, show (1) evidence that themore » polymer coating is present, but not continuous, over the surface of PETN; (2) the average thickness of the polymer coating is between 16-32 A and greater than 44 A, respectively, for 0.5 and 20 wt % coated PETN; (3) no changes in surface chemistry of the polymer or the explosive material following microencapsulation; and (4) the presence of explosive material on the surface of 0.5 wt % FPC-461 coated explosives. 5 refs., 15 figs., 6 tabs.« less

20180318 - Sharing chemical structures with peer-reviewed publications. Are we there yet? (ACS Spring)

EPA Science Inventory

In the domain of chemistry one of the greatest benefits to publishing research is that data are shared. Unfortunately, the vast majority of chemical structure data remain locked up in document form, primarily as PDF files. Despite the explosive growth of online chemical databases...

46 CFR 194.15-17 - Compressed gases other than inert gases.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 7 2010-10-01 2010-10-01 false Compressed gases other than inert gases. 194.15-17 Section 194.15-17 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and...

46 CFR 194.15-15 - Chemicals other than compressed gases.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 7 2010-10-01 2010-10-01 false Chemicals other than compressed gases. 194.15-15 Section 194.15-15 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and...

Synthesis and purification of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB)

DOEpatents

Mitchell, Alexander R [Livermore, CA; Coburn, Michael D [Santa Fe, NM; Lee, Gregory S [San Ramon, CA; Schmidt, Robert D [Livermore, CA; Pagoria, Philip F [Livermore, CA; Hsu, Peter C [Pleasanton, CA

2006-06-06

A method to convert surplus nitroarene explosives (picric acid, ammonium picrate,) into TATB is described. The process comprises three major steps: conversion of picric acid/ammonium picrate into picramide; conversion of picramide to TATB through vicarious nucleophilic substitution (VNS) of hydrogen chemistry; and purification of TATB.

46 CFR 194.15-17 - Compressed gases other than inert gases.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 7 2013-10-01 2013-10-01 false Compressed gases other than inert gases. 194.15-17 Section 194.15-17 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and...

46 CFR 194.15-15 - Chemicals other than compressed gases.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 7 2013-10-01 2013-10-01 false Chemicals other than compressed gases. 194.15-15 Section 194.15-15 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING, USE, AND CONTROL OF EXPLOSIVES AND OTHER HAZARDOUS MATERIALS Chemistry Laboratory and...

Vibrational spectroscopy standoff detection of threat chemicals

NASA Astrophysics Data System (ADS)

Ortiz-Rivera, William; Pacheco-Londoño, Leonardo C.; Castro-Suarez, John R.; Felix-Rivera, Hilsamar; Hernandez-Rivera, Samuel P.

2011-06-01

Spectroscopy based standoff detection systems: Raman and FTIR have been tested for detection of threat chemicals, including highly energetic materials, homemade explosives, explosives formulations and high explosives mixtures. Other threat chemicals studied included toxic industrial compounds (TIC) and chemical agent simulants. Microorganisms and biological threat agent simulants have also been detected at standoff distances. Open Path FTIR has been used to detect vapors and chemicals deposited on metal surfaces at μg/cm2 levels at distances as far as 30 m in active mode and 60 m in passive mode. In the case of Raman telescope, standoff distances for acetonitrile and ammonium nitrate were 140 m.

Mesoscopic simulations of shock-to-detonation transition in reactive liquid high explosive

NASA Astrophysics Data System (ADS)

Maillet, J. B.; Bourasseau, E.; Desbiens, N.; Vallverdu, G.; Stoltz, G.

2011-12-01

An extension of the model described in a previous work (see Maillet J. B. et al., EPL, 78 (2007) 68001) based on Dissipative Particle Dynamics is presented and applied to a liquid high explosive (HE), with thermodynamic properties mimicking those of liquid nitromethane. Large scale nonequilibrium simulations of reacting liquid HE with model kinetic under sustained shock conditions allow a better understanding of the shock-to-detonation transition in homogeneous explosives. Moreover, the propagation of the reactive wave appears discontinuous since ignition points in the shocked material can be activated by the compressive waves emitted from the onset of chemical reactions.

Experimental model of the role of cracks in the mechanism of explosive eruption of St. Helens-80

NASA Astrophysics Data System (ADS)

Kedrinskii, V. K.; Skulkin, A. A.

2017-07-01

A unique mini model of explosive volcano eruption through a formed system of cracks is developed. The process of crack formation and development is simulated by electric explosion of a conductor in a plate of optically transparent organic glass submerged into water. The explosion of a wire aligned with a through hole in the plate generates shock-wave loading along the plate and forms cracks. The fundamental role of high velocity flow in crack wedging by a high power hydrodynamic flow of a pulsating explosion cavity has been demonstrated.

Determination of JWL Parameters for Non-Ideal Explosive

NASA Astrophysics Data System (ADS)

Hamashima, H.; Kato, Y.; Itoh, S.

2004-07-01

JWL equation of state is widely used in numerical simulation of detonation phenomena. JWL parameters are determined by cylinder test. Detonation characteristics of non-ideal explosive depend strongly on confinement, and JWL parameters determined by cylinder test do not represent the state of detonation products in many applications. We developed a method to determine JWL parameters from the underwater explosion test. JWL parameters were determined through a method of characteristics applied to the configuration of the underwater shock waves of cylindrical explosives. The numerical results obtained using JWL parameters determined by the underwater explosion test and those obtained using JWL parameters determined by cylinder test were compared with experimental results for typical non-ideal explosive; emulsion explosive. Good agreement was confirmed between the results obtained using JWL parameters determined by the underwater explosion test and experimental results.

Simulation of the detonation process of an ammonium nitrate based emulsion explosive using the lee-tarver reactive flow model

NASA Astrophysics Data System (ADS)

Ribeiro, José B.; Silva, Cristóvão; Mendes, Ricardo; Plaksin, I.; Campos, Jose

2012-03-01

The use of emulsion explosives [EEx] for processing materials (compaction, welding and forming) requires the ability to perform detailed simulations of its detonation process [DP]. Detailed numerical simulations of the DP of this kind of explosives, characterized by having a finite reaction zone thickness, are thought to be suitably performed using the Lee-Tarver reactive flow model. In this work a real coded genetic algorithm methodology was used to estimate the 15 parameters of the reaction rate equation [RRE] of that model for a particular EEx. This methodology allows, in a single optimization procedure, using only one experimental result and without the need of any starting solution, to seek for the 15 parameters of the RRE that fit the numerical to the experimental results. Mass averaging and the Plate-Gap Model have been used for the determination of the shock data used in the unreacted explosive JWL EoS assessment, and the thermochemical code THOR retrieved the data used in the detonation products JWL EoS assessment. The obtained parameters allow a reasonable description of the experimental data.

A complete equation of state for non-ideal condensed phase explosives

NASA Astrophysics Data System (ADS)

Wilkinson, S. D.; Braithwaite, M.; Nikiforakis, N.; Michael, L.

2017-12-01

The objective of this work is to improve the robustness and accuracy of numerical simulations of both ideal and non-ideal explosives by introducing temperature dependence in mechanical equations of state for reactants and products. To this end, we modify existing mechanical equations of state to appropriately approximate the temperature in the reaction zone. Mechanical equations of state of the Mie-Grüneisen form are developed with extensions, which allow the temperature to be evaluated appropriately and the temperature equilibrium condition to be applied robustly. Furthermore, the snow plow model is used to capture the effect of porosity on the reactant equation of state. We apply the methodology to predict the velocity of compliantly confined detonation waves. Once reaction rates are calibrated for unconfined detonation velocities, simulations of confined rate sticks and slabs are performed, and the experimental detonation velocities are matched without further parameter alteration, demonstrating the predictive capability of our simulations. We apply the same methodology to both ideal (PBX9502, a high explosive with principal ingredient TATB) and non-ideal (EM120D, an ANE or ammonium nitrate based emulsion) explosives.

Conventional Weapons Underwater Explosions

DTIC Science & Technology

1988-12-01

Nitromethane," UCRL 52903, December 1980. 22 I >I I 20 0--0 AIcN 23 0 I0 0 0 c W * ’S * / 0 o ---. 0 / nEil~ 24 Unreacted explosive Shock front t t...1976. 57 7. B. M. Dobratz LLNL Explosives Handbook - Properties of Explosives and Ex- plosive Simulants, UCRL -52997, March 1981. 8. M. H. Rice and J...Canada (403) 549- 3701 Ext. 4787 39. Joel C. W. Rogers Dept. of Mathemantics Polytechnic University 333 Jay Street Brooklyn, NY 11201 (718) 260-3501 40

On the prompt identification of traces of explosives

NASA Astrophysics Data System (ADS)

Trobajo, M. T.; López-Cabeceira, M. M.; Carriegos, M. V.; Díez-Machío, H.

2014-12-01

Some recent results in the use of Raman spectroscopy for recognition of explosives are reviewed. Experimental study using spectra data base has been developed. In order to simulate a more real situation, both blank substances and explosives substances have been considered in this research. Statistic classification techniques have been performed. Estimations of prediction errors were obtained by cross-validation methods. These results can be applied in airport security systems in order to prevent terror acts (by the detection of explosive/flammable substances).

Physical explosion analysis in heat exchanger network design

NASA Astrophysics Data System (ADS)

Pasha, M.; Zaini, D.; Shariff, A. M.

2016-06-01

The failure of shell and tube heat exchangers is being extensively experienced by the chemical process industries. This failure can create a loss of production for long time duration. Moreover, loss of containment through heat exchanger could potentially lead to a credible event such as fire, explosion and toxic release. There is a need to analyse the possible worst case effect originated from the loss of containment of the heat exchanger at the early design stage. Physical explosion analysis during the heat exchanger network design is presented in this work. Baker and Prugh explosion models are deployed for assessing the explosion effect. Microsoft Excel integrated with process design simulator through object linking and embedded (OLE) automation for this analysis. Aspen HYSYS V (8.0) used as a simulation platform in this work. A typical heat exchanger network of steam reforming and shift conversion process was presented as a case study. It is investigated from this analysis that overpressure generated from the physical explosion of each heat exchanger can be estimated in a more precise manner by using Prugh model. The present work could potentially assist the design engineer to identify the critical heat exchanger in the network at the preliminary design stage.

Effects of different representations of transport in the new EMAC-SWIFT chemistry climate model

NASA Astrophysics Data System (ADS)

Scheffler, Janice; Langematz, Ulrike; Wohltmann, Ingo; Kreyling, Daniel; Rex, Markus

2017-04-01

It is well known that the representation of atmospheric ozone chemistry in weather and climate models is essential for a realistic simulation of the atmospheric state. Interactively coupled chemistry climate models (CCMs) provide a means to realistically simulate the interaction between atmospheric chemistry and dynamics. The calculation of chemistry in CCMs, however, is computationally expensive which renders the use of complex chemistry models not suitable for ensemble simulations or simulations with multiple climate change scenarios. In these simulations ozone is therefore usually prescribed as a climatological field or included by incorporating a fast linear ozone scheme into the model. While prescribed climatological ozone fields are often not aligned with the modelled dynamics, a linear ozone scheme may not be applicable for a wide range of climatological conditions. An alternative approach to represent atmospheric chemistry in climate models which can cope with non-linearities in ozone chemistry and is applicable to a wide range of climatic states is the Semi-empirical Weighted Iterative Fit Technique (SWIFT) that is driven by reanalysis data and has been validated against observational satellite data and runs of a full Chemistry and Transport Model. SWIFT has been implemented into the ECHAM/MESSy (EMAC) chemistry climate model that uses a modular approach to climate modelling where individual model components can be switched on and off. When using SWIFT in EMAC, there are several possibilities to represent the effect of transport inside the polar vortex: the semi-Lagrangian transport scheme of EMAC and a transport parameterisation that can be useful when using SWIFT in models not having transport of their own. Here, we present results of equivalent simulations with different handling of transport, compare with EMAC simulations with full interactive chemistry and evaluate the results with observations.

Prediction of the explosion effect of aluminized explosives

NASA Astrophysics Data System (ADS)

Zhang, Qi; Xiang, Cong; Liang, HuiMin

2013-05-01

We present an approach to predict the explosion load for aluminized explosives using a numerical calculation. A code to calculate the species of detonation products of high energy ingredients and those of the secondary reaction of aluminum and the detonation products, velocity of detonation, pressure, temperature and JWL parameters of aluminized explosives has been developed in this study. Through numerical calculations carried out with this code, the predicted JWL parameters for aluminized explosives have been compared with those measured by the cylinder test. The predicted JWL parameters with this code agree with those measured by the cylinder test. Furthermore, the load of explosion for the aluminized explosive was calculated using the numerical simulation by using the JWL equation of state. The loads of explosion for the aluminized explosive obtained using the predicted JWL parameters have been compared with those using the measured JWL parameters. Both of them are almost the same. The numerical results using the predicted JWL parameters show that the explosion air shock wave is the strongest when the mass fraction of aluminum powder in the explosive mixtures is 30%. This result agrees with the empirical data.

The equation of state of predominant detonation products

NASA Astrophysics Data System (ADS)

Zaug, Joseph; Crowhurst, Jonathan; Bastea, Sorin; Fried, Laurence

2009-06-01

The equation of state of detonation products, when incorporated into an experimentally grounded thermochemical reaction algorithm can be used to predict the performance of explosives. Here we report laser based Impulsive Stimulated Light Scattering measurements of the speed of sound from a variety of polar and nonpolar detonation product supercritical fluids and mixtures. The speed of sound data are used to improve the exponential-six potentials employed within the Cheetah thermochemical code. We will discuss the improvements made to Cheetah in terms of predictions vs. measured performance data for common polymer blended explosives. Accurately computing the chemistry that occurs from reacted binder materials is one important step forward in our efforts.

Ignition sensitivity study of an energetic train configuration using experiments and simulation

NASA Astrophysics Data System (ADS)

Kim, Bohoon; Yu, Hyeonju; Yoh, Jack J.

2018-06-01

A full scale hydrodynamic simulation intended for the accurate description of shock-induced detonation transition was conducted as a part of an ignition sensitivity analysis of an energetic component system. The system is composed of an exploding foil initiator (EFI), a donor explosive unit, a stainless steel gap, and an acceptor explosive. A series of velocity interferometer system for any reflector measurements were used to validate the hydrodynamic simulations based on the reactive flow model that describes the initiation of energetic materials arranged in a train configuration. A numerical methodology with ignition and growth mechanisms for tracking multi-material boundary interactions as well as severely transient fluid-structure coupling between high explosive charges and metal gap is described. The free surface velocity measurement is used to evaluate the sensitivity of energetic components that are subjected to strong pressure waves. Then, the full scale hydrodynamic simulation is performed on the flyer impacted initiation of an EFI driven pyrotechnical system.

A verification and validation effort for high explosives at Los Alamos National Lab (u)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scovel, Christina A; Menikoff, Ralph S

2009-01-01

We have started a project to verify and validate ASC codes used to simulate detonation waves in high explosives. Since there are no non-trivial analytic solutions, we are going to compare simulated results with experimental data that cover a wide range of explosive phenomena. The intent is to compare both different codes and different high explosives (HE) models. The first step is to test the products equation of state used for the HE models, For this purpose, the cylinder test, flyer plate and plate-push experiments are being used. These experiments sample different regimes in thermodynamic phase space: the CJ isentropemore » for the cylinder tests, the isentrope behind an overdriven detonation wave for the flyer plate experiment, and expansion following a reflected CJ detonation for the plate-push experiment, which is sensitive to the Gruneisen coefficient. The results of our findings for PBX 9501 are presented here.« less

Investigation of detonation velocity in heterogeneous explosive system using the reactive Burgers' analog

NASA Astrophysics Data System (ADS)

Di Labbio, G.; Kiyanda, C. B.; Mi, X.; Higgins, A. J.; Nikiforakis, N.; Ng, H. D.

2016-06-01

In this study, the applicability of the Chapman-Jouguet (CJ) criterion is tested numerically for heterogeneous explosive media using a simple detonation analog. The analog system consists of a reactive Burgers' equation coupled with an Arrhenius type reaction wave, and the heterogeneity of the explosive media is mimicked using a discrete energy source approach. The governing equation is solved using a second order, finite-volume approach and the average propagation velocity of the discrete detonation is determined by tracking the leading shock front. Consistent with previous studies, the averaged velocity of the leading shock front from the unsteady numerical simulations is also found to be in good agreement with the velocity of a CJ detonation in a uniform medium wherein the energy source is spatially homogenized. These simulations have thus implications for whether the CJ criterion is valid to predict the detonation velocity in heterogeneous explosive media.

Modeling shock responses of plastic bonded explosives using material point method

NASA Astrophysics Data System (ADS)

Shang, Hailin; Zhao, Feng; Fu, Hua

2017-01-01

Shock responses of plastic bonded explosives are modeled using material point method as implemented in the Uintah Computational Framework. Two-dimensional simulation model was established based on the micrograph of PBX9501. Shock loading for the explosive was performed by a piston moving at a constant velocity. Unreactive simulation results indicate that under shock loading serious plastic strain appears on the boundary of HMX grains. Simultaneously, the plastic strain energy transforms to thermal energy, causing the temperature to rise rapidly on grain boundary areas. The influence of shock strength on the responses of explosive was also investigated by increasing the piston velocity. And the results show that with increasing shock strength, the distribution of plastic strain and temperature does not have significant changes, but their values increase obviously. Namely, the higher the shock strength is, the higher the temperature rise will be.

77 FR 58006 - Addition of Certain Persons to the Entity List; Removal of Person From the Entity List Based on...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-09-19

...; (5) Chinese Academy of Engineering Physics, a.k.a., the following seventeen aliases: --Ninth Academy...; --Southwest Institute of Explosives and Chemical Engineering; --Southwest Institute of Fluid Physics...; --Southwest Institute of Materials; --Southwest Institute of Nuclear Physics and Chemistry (a.k.a., China...

Basic Research Plan.

DTIC Science & Technology

1996-05-01

detection, catalysts for enhancing and controlling energetic reactions, synthesis of new compounds (e.g., narrow band-gap materials and non-linear...design for synthesis of advanced materials Fabricate porous lightweight and resilient structural materials with novel properties and uses Demonstrate...elements for 10 nm computer memory elements Demonstrate enhanced propellants and explosives with nanoparticle surface chemistry Demonstrate sensing of

The use of neutrons for the detection of explosives in Civil Security Applications

NASA Astrophysics Data System (ADS)

Pesente, S.; Fabris, D.; Lunardon, M.; Moretto, S.; Nebbia, G.; Viesti, G.

2007-02-01

The search for hidden explosives has been simulated in laboratory conditions by using our Tagged Neutron Inspection System (TNIS). Applications of the TNIS concept to Civil Security problems are discussed in the light of our projects for cargo container inspections. Moreover, neutron attenuation and scattering can be used to search in real time for large quantity of explosive hidden in vehicles.

Application of high explosion cratering data to planetary problems

NASA Technical Reports Server (NTRS)

Oberbeck, V. R.

1977-01-01

The present paper deals with the conditions of explosion or nuclear cratering required to simulate impact crater formation. Some planetary problems associated with three different aspects of crater formation are discussed, and solutions based on high-explosion data are proposed. Structures of impact craters and some selected explosion craters formed in layered media are examined and are related to the structure of lunar basins. The mode of ejection of material from impact craters is identified using explosion analogs. The ejection mode is shown to have important implications for the origin of material in crater and basin deposits. Equally important are the populations of secondary craters on lunar and planetary surfaces.

Mechanism of vacuum breakdown in radio-frequency accelerating structures

NASA Astrophysics Data System (ADS)

Barengolts, S. A.; Mesyats, V. G.; Oreshkin, V. I.; Oreshkin, E. V.; Khishchenko, K. V.; Uimanov, I. V.; Tsventoukh, M. M.

2018-06-01

It has been investigated whether explosive electron emission may be the initiating mechanism of vacuum breakdown in the accelerating structures of TeV linear electron-positron colliders (Compact Linear Collider). The physical processes involved in a dc vacuum breakdown have been considered, and the relationship between the voltage applied to the diode and the time delay to breakdown has been found. Based on the results obtained, the development of a vacuum breakdown in an rf electric field has been analyzed and the main parameters responsible for the initiation of explosive electron emission have been estimated. The formation of craters on the cathode surface during explosive electron emission has been numerically simulated, and the simulation results are discussed.

The temporal evolution of explosive events and its implication on reconnection dynamics

NASA Astrophysics Data System (ADS)

Guo, L.; Liu, W.; De Pontieu, B.; Huang, Y. M.; Peter, H.; Bhattacharjee, A.

2017-12-01

Transition-region explosive events and other bursts seen in extreme UV light are characterized by broad spectral line profiles, and the more violent ones show a strong enhancement of emission. They are thought to be driven by magnetic reconnection, because of their characteristic spectral profiles often indicating strong Alfvénic flows, and because of the fact that they typically occur where magnetic flux concentrations of opposite polarity intersect. In this presentation, we will focus on the temporal evolution of transition-region explosive events. In particular, we will investigate fast onsets of these events and the rapid oscillations of intensity during these event. The fast onset refers to the beginning of an explosive event, where the intensities and the widths of its line profiles increase dramatically (often within less than 10 seconds) and the rapid oscillations of intensity refer to blinks of emission that usually last less than 10 seconds during the event. In order to interpret and understand underlying mechanisms of these observations, we conduct numerical simulation of an explosive event and calculate its spectra. We observe a similar temporal evolution in the synthetic Si IV spectra when the explosive event is driven by time-dependent reconnection—plasmoid instability. The qualitative agreement between observations and simulations suggests that the temporal evolution of Si IV spectra of explosive events are closely related to reconnection dynamics.

Proceedings of the 11th Annual DARPA/AFGL Seismic Research symposium

NASA Astrophysics Data System (ADS)

Lewkowicz, James F.; McPhetres, Jeanne M.

1990-11-01

The following subjects are covered: near source observations of quarry explosions; small explosion discrimination and yield estimation; Rg as a depth discriminant for earthquakes and explosions: a case study in New England; a comparative study of high frequency seismic noise at selected sites in the USSR and USA; chemical explosions and the discrimination problem; application of simulated annealing to joint hypocenter determination; frequency dependence of Q(sub Lg) and Q in the continental crust; statistical approaches to testing for compliance with a threshold test ban treaty; broad-band studies of seismic sources at regional and teleseismic distances using advanced time series analysis methods; effects of depth of burial and tectonic release on regional and teleseismic explosion waveforms; finite difference simulations of seismic wave excitation at Soviet test sites with deterministic structures; stochastic geologic effects on near-field ground motions; the damage mechanics of porous rock; nonlinear attenuation mechanism in salt at moderate strain; compressional- and shear-wave polarizations at the Anza seismic array; and a generalized beamforming approach to real time network detection and phase association.

Nucleosynthesis during a Thermonuclear Supernova Explosion

NASA Astrophysics Data System (ADS)

Panov, I. V.; Glazyrin, S. I.; Röpke, F. K.; Blinnikov, S. I.

2018-05-01

Supernovae are such bright objects that they can be observed even at high redshifts. Some types of such events, for example, type Ia (thermonuclear), have peculiarities of the light curve, which allows them to be used for cosmological applications. The light curve is determined by the details of the explosion dynamics and nucleosynthesis: in particular, it depends on the amount of iron-peak elements produced during the explosion. We discuss the burning processes in such objects and the peculiarities of turbulence simulations in them, which is needed for a proper hydrodynamic description of the explosion process. A direct nucleosynthesis calculation is performed for the temperature and density profiles derived in the available 3D hydrodynamic explosion simulations. We show that in the supernova progenitor model considered the calculated abundances of elements from carbon to iron-peak elements are in good agreement both with the observations and with the calculations of other authors. At the same time, no r-elements are produced even at the maximum neutron excess for this model ( Y e 0.47) due to the slow evolution of the density and temperature.

The Numerical Simulation of the Shock Wave of Coal Gas Explosions in Gas Pipe*

NASA Astrophysics Data System (ADS)

Chen, Zhenxing; Hou, Kepeng; Chen, Longwei

2018-03-01

For the problem of large deformation and vortex, the method of Euler and Lagrange has both advantage and disadvantage. In this paper we adopt special fuzzy interface method(volume of fluid). Gas satisfies the conditions of conservation equations of mass, momentum, and energy. Based on explosion and three-dimension fluid dynamics theory, using unsteady, compressible, inviscid hydrodynamic equations and state equations, this paper considers pressure gradient’s effects to velocity, mass and energy in Lagrange steps by the finite difference method. To minimize transport errors of material, energy and volume in Finite Difference mesh, it also considers material transport in Euler steps. Programmed with Fortran PowerStation 4.0 and visualized with the software designed independently, we design the numerical simulation of gas explosion with specific pipeline structure, check the key points of the pressure change in the flow field, reproduce the gas explosion in pipeline of shock wave propagation, from the initial development, flame and accelerate the process of shock wave. This offers beneficial reference and experience to coal gas explosion accidents or safety precautions.

Nucleosynthesis in neutrino-driven, aspherical Population III supernovae

NASA Astrophysics Data System (ADS)

Fujimoto, Shin-ichiro; Hashimoto, Masa-aki; Ono, Masaomi; Kotake, Kei

2012-09-01

We investigate explosive nucleosynthesis during neutrino-driven, aspherical supernova (SN) explosion aided by standing accretion shock instability (SASI), based on two-dimensional hydrodynamic simulations of the explosion of 11, 15, 20, 25, 30 and 40M ⊙ stars with zero metallicity. The magnitude and asymmetry of the explosion energy are estimated with simulations, for a given set of neutrino luminosities and temperatures, not as in the previous study in which the explosion is manually and spherically initiated by means of a thermal bomb or a piston and also some artificial mixing procedures are applied for the estimate of abundances of the SN ejecta. By post-processing calculations with a large nuclear reaction network, we have evaluated abundances and masses of ejecta from the aspherical SNe. We find that matter mixing induced via SASI is important for the abundant production of nuclei with atomic number >= 21, in particular Sc, which is underproduced in the spherical models without artificial mixing. We also find that the IMF-averaged abundances are similar to those observed in extremely metal poor stars. However, observed [K/Fe] cannot be reproduced with our aspherical SN models.

Spatial distribution of radionuclides in 3D models of SN 1987A and Cas A

NASA Astrophysics Data System (ADS)

Janka, Hans-Thomas; Gabler, Michael; Wongwathanarat, Annop

2017-02-01

Fostered by the possibilities of multi-dimensional computational modeling, in particular the advent of three-dimensional (3D) simulations, our understanding of the neutrino-driven explosion mechanism of core-collapse supernovae (SNe) has experienced remarkable progress over the past decade. First self-consistent, first-principle models have shown successful explosions in 3D, and even failed cases may be cured by moderate changes of the microphysics inside the neutron star (NS), better grid resolution, or more detailed progenitor conditions at the onset of core collapse, in particular large-scale perturbations in the convective Si and O burning shells. 3D simulations have also achieved to follow neutrino-driven explosions continuously from the initiation of the blast wave, through the shock breakout from the progenitor surface, into the radioactively powered evolution of the SN, and towards the free expansion phase of the emerging remnant. Here we present results from such simulations, which form the basis for direct comparisons with observations of SNe and SN remnants in order to derive constraints on the still disputed explosion mechanism. It is shown that predictions based on hydrodynamic instabilities and mixing processes associated with neutrino-driven explosions yield good agreement with measured NS kicks, light-curve properties of SN 1987A and asymmetries of iron and 44Ti distributions observed in SN 1987A and Cassiopeia A.

A qualitative case study of instructional support for web-based simulated laboratory exercises in online college chemistry laboratory courses

NASA Astrophysics Data System (ADS)

Schulman, Kathleen M.

This study fills a gap in the research literature regarding the types of instructional support provided by instructors in online introductory chemistry laboratory courses that employ chemistry simulations as laboratory exercises. It also provides information regarding students' perceptions of the effectiveness of that instructional support. A multiple case study methodology was used to carry out the research. Two online introductory chemistry courses were studied at two community colleges. Data for this study was collected using phone interviews with faculty and student participants, surveys completed by students, and direct observation of the instructional designs of instructional support in the online Blackboard web sites and the chemistry simulations used by the participating institutions. The results indicated that the instructors provided multiple types of instructional support that correlated with forms of effective instructional support identified in the research literature, such as timely detailed feedback, detailed instructions for the laboratory experiments, and consistency in the instructional design of lecture and laboratory course materials, including the chemistry lab simulation environment. The students in one of these courses identified the following as the most effective types of instructional support provided: the instructor's feedback, opportunities to apply chemistry knowledge in the chemistry lab exercises, detailed procedures for the simulated laboratory exercises, the organization of the course Blackboard sites and the chemistry lab simulation web sites, and the textbook homework web sites. Students also identified components of instructional support they felt were missing. These included a desire for more interaction with the instructor, more support for the simulated laboratory exercises from the instructor and the developer of the chemistry simulations, and faster help with questions about the laboratory exercises or experimental calculations. Students believed that having this additional instructional support would lead to increased understanding of the laboratory exercises, allowing them to complete them with less difficulty, and giving them increased access to the instructor. Recommendations for the instructors of these two courses include: increased participation in the online course environment, increased emphasis on laboratory safety, and increased emphasis on the differences between simulated and real life chemistry laboratory experiments.

Initiation Capacity of a Specially Shaped Booster Pellet and Numerical Simulation of Its Initiation Process

NASA Astrophysics Data System (ADS)

Hu, Li-Shuang; Hu, Shuang-Qi; Cao, Xiong; Zhang, Jian-Ren

2014-01-01

The insensitive main charge explosive is creating new requirements for the booster pellet of detonation trains. The traditional cylindrical booster pellet has insufficient energy output to reliably initiate the insensitive main charge explosive. In this research, a concave spherical booster pellet was designed. The initiation capacity of the concave spherical booster pellet was studied using varied composition and axial steel dent methods. The initiation process of the concave spherical booster pellet was also simulated by ANSYS/LS-DYNA. The results showed that using a concave spherical booster allows a 42% reduction in the amount of explosive needed to match the initiation capacity of a conventional cylindrical booster of the same dimensions. With the other parameters kept constant, the initiation capacity of the concave spherical booster pellet increases with decreased cone angle and concave radius. The numerical simulation results are in good agreement with the experimental data.

Internet Based Simulations of Debris Dispersion of Shuttle Launch

NASA Technical Reports Server (NTRS)

Bardina, Jorge; Thirumalainambi, Rajkumar

2004-01-01

The debris dispersion model (which dispersion model?) is so heterogeneous and interrelated with various factors, 3D graphics combined with physical models are useful in understanding the complexity of launch and range operations. Modeling and simulation in this area mainly focuses on orbital dynamics and range safety concepts, including destruct limits, telemetry and tracking, and population risk. Particle explosion modeling is the process of simulating an explosion by breaking the rocket into many pieces. The particles are scattered throughout their motion using the laws of physics eventually coming to rest. The size of the foot print explains the type of explosion and distribution of the particles. The shuttle launch and range operations in this paper are discussed based on the operations of the Kennedy Space Center, Florida, USA. Java 3D graphics provides geometric and visual content with suitable modeling behaviors of Shuttle launches.

Microscale simulations of shock interaction with large assembly of particles for developing point-particle models

NASA Astrophysics Data System (ADS)

Thakur, Siddharth; Neal, Chris; Mehta, Yash; Sridharan, Prasanth; Jackson, Thomas; Balachandar, S.

2017-01-01

Micrsoscale simulations are being conducted for developing point-particle and other related models that are needed for the mesoscale and macroscale simulations of explosive dispersal of particles. These particle models are required to compute (a) instantaneous aerodynamic force on the particle and (b) instantaneous net heat transfer between the particle and the surrounding. A strategy for a sequence of microscale simulations has been devised that allows systematic development of the hybrid surrogate models that are applicable at conditions representative of the explosive dispersal application. The ongoing microscale simulations seek to examine particle force dependence on: (a) Mach number, (b) Reynolds number, and (c) volume fraction (different particle arrangements such as cubic, face-centered cubic (FCC), body-centered cubic (BCC) and random). Future plans include investigation of sequences of fully-resolved microscale simulations consisting of an array of particles subjected to more realistic time-dependent flows that progressively better approximate the actual problem of explosive dispersal. Additionally, effects of particle shape, size, and number in simulation as well as the transient particle deformation dependence on various parameters including: (a) particle material, (b) medium material, (c) multiple particles, (d) incoming shock pressure and speed, (e) medium to particle impedance ratio, (f) particle shape and orientation to shock, etc. are being investigated.

Critical Resolution and Physical Dependenices of Supernovae: Stars in Heat and Under Pressure

NASA Astrophysics Data System (ADS)

Vartanyan, David; Burrows, Adam Seth

2017-01-01

For over five decades, the mechanism of explosion in core-collapse supernova continues to remain one of the last untoppled bastions in astrophysics, presenting both a technical and physical problem.Motivated by advances in computation and nuclear physics and the resilience of the core-collapse problem, collaborators Adam Burrows (Princeton), Joshua Dolence (LANL), and Aaron Skinner (LNL) have developed FORNAX - a highly parallelizable multidimensional supernova simulation code featuring an explicit hydrodynamic and radiation-transfer solver.We present the results (Vartanyan et. al 2016, Burrows et. al 2016, both in preparation) of a sequence of two-dimensional axisymmetric simulations of core-collapse supernovae using FORNAX, probing both progenitor mass dependence and the effect of physical inputs in explosiveness in our study on the revival of the stalled shock via the neutrino heating mechanism. We also performed a resolution study, testing spatial and energy group resolutions as well as compilation flags. We illustrate that, when the protoneutron star bounded by a stalled shock is close to the critical explosion condition (Burrows & Goshy 1993), small changes of order 10% in neutrino energies and luminosities can result in explosion, and that these effects couple nonlinearly.We show that many-body medium effects due to neutrino-nucleon scattering as well as inelastic neutrino-nucleon and neutrino-electron scattering are strongly favorable to earlier and more vigorous explosions by depositing energy in the gain region. Additionally, we probe the effects of a ray-by-ray+ transport solver (which does not include transverse velocity terms) employed by many groups and confirm that it artificially accelerates explosion (see also Skinner et. al 2016).In the coming year, we are gearing up for the first set of 3D simulations yet performed in the context of core-collapse supernovae employing 20 energy groups, and one of the most complete nuclear physics modules in the field with the ambitious goal of simulating supernova remants like Cas A. The current environment for core-collapse supernova provides for invigorating optimism that a robust explosion mechanism is within reach on graduate student lifetimes.

Equations of state for detonation products of high energy PBX explosives

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, E. L.; Helm, F. H.; Finger, M.

1977-08-01

It has become apparent that the accumulated changes in the analysis of cylinder test data, in the material specifications, and in the hydrodynamic code simulation of the cylinder test necessitated an update of the detonation product EOS description for explosives in common use at LLL. The explosives reviewed are PBX-9404-3, LX-04-1, LX-10-1, LX-14-0 and LX-09-1. In order to maintain the proper relation of predicted performance of these standard explosives, they have been revised as a single set.

Numerical Simulation using VolcFlow for Pyroclastic Density Currents by Explosive Eruption of Mt. Baekdu, Korea

NASA Astrophysics Data System (ADS)

Yun, S. H.; Chang, C.

2015-12-01

It is the numerical simulation using a VolcFlow model to determine the runout range of pyroclastic density currents where an eruption column had been formed by the explosive Plinian eruption and the collapse of the column had caused to occur on Mt. Baekdu. We assumed that the most realistic way for the simulation of a sustained volcanic column is to modify the topography with a cone above the crater to follow expert advice from Dr. Karim Kelfoun, the developer of VolcFlow. Then we set the radius and height of the cone, the volume of pyroclastic flow, and the duration and simulation time accoding to the volcanic explosivity index (VEI). Also we set the yield stress as 5,000 Pa, 10,000 Pa, 15,000 Pa, the basal friction angle as 3°, 5°, 10°, respectively. As the simulation results, the longest runout range was 2.3 km, 9.1 km, 14.4 km, 18.6 km, 23.4 km from VEI 3 to VEI 7, respectively. It can be used as a very important material to predict the impact range of pyroclastic density currents and to minimize human and material damages caused by pyroclastic density currents derived from the future explosive eruption of Mt. Baekdu. This research was supported by a grant 'Development of Advanced Volcanic Disaster Response System considering Potential Volcanic Risk around Korea' [MPSS-NH-2015-81] from the Natural Hazard Mitigation Research Group, National Emergency Management Agency of Korea.

Simulation Study of Near-Surface Coupling of Nuclear Devices vs. Equivalent High-Explosive Charges

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fournier, Kevin B; Walton, Otis R; Benjamin, Russ

2014-09-29

A computational study was performed to examine the differences in near-surface ground-waves and air-blast waves generated by high-explosive energy sources and those generated by much higher energy - density low - yield nuclear sources. The study examined the effect of explosive-source emplacement (i.e., height-of-burst, HOB, or depth-of-burial, DOB) over a range from depths of -35m to heights of 20m, for explosions with an explosive yield of 1-kt . The chemical explosive was modeled by a JWL equation-of-state model for a ~14m diameter sphere of ANFO (~1,200,000kg – 1 k t equivalent yield ), and the high-energy-density source was modeled asmore » a one tonne (1000 kg) plasma of ‘Iron-gas’ (utilizing LLNL’s tabular equation-of-state database, LEOS) in a 2m diameter sphere, with a total internal-energy content equivalent to 1 k t . A consistent equivalent-yield coupling-factor approach was developed to compare the behavior of the two sources. The results indicate that the equivalent-yield coupling-factor for air-blasts from 1 k t ANFO explosions varies monotonically and continuously from a nearly perfec t reflected wave off of the ground surface for a HOB ≈ 20m, to a coupling factor of nearly zero at DOB ≈ -25m. The nuclear air - blast coupling curve, on the other hand, remained nearly equal to a perfectly reflected wave all the way down to HOB’s very near zero, and then quickly dropped to a value near zero for explosions with a DOB ≈ -10m. The near - surface ground - wave traveling horizontally out from the explosive source region to distances of 100’s of meters exhibited equivalent - yield coupling - factors t hat varied nearly linearly with HOB/DOB for the simulated ANFO explosive source, going from a value near zero at HOB ≈ 5m to nearly one at DOB ≈ -25m. The nuclear-source generated near-surface ground wave coupling-factor remained near zero for almost all HOB’s greater than zero, and then appeared to vary nearly - linearly with depth-of-burial until it reached a value of one at a DOB between 15m and 20m. These simulations confirm the expected result that the variation of coupling to the ground, or the air, change s much more rapidly with emplacement location for a high-energy-density (i.e., nuclear-like) explosive source than it does for relatively low - energy - density chemical explosive sources. The Energy Partitioning, Energy Coupling (EPEC) platform at LLNL utilizes laser energy from one quad (i.e. 4-laser beams) of the 192 - beam NIF Laser bank to deliver ~10kJ of energy to 1mg of silver in a hohlraum creating an effective small-explosive ‘source’ with an energy density comparable to those in low-yield nuclear devices. Such experiments have the potential to provide direct experimental confirmation of the simulation results obtained in this study, at a physical scale (and time-scale) which is a factor of 1000 smaller than the spatial- or temporal-scales typically encountered when dealing with nuclear explosions.« less

Modeling and Simulation of Explosively Driven Electromechanical Devices

NASA Astrophysics Data System (ADS)

Demmie, Paul N.

2002-07-01

Components that store electrical energy in ferroelectric materials and produce currents when their permittivity is explosively reduced are used in a variety of applications. The modeling and simulation of such devices is a challenging problem since one has to represent the coupled physics of detonation, shock propagation, and electromagnetic field generation. The high fidelity modeling and simulation of complicated electromechanical devices was not feasible prior to having the Accelerated Strategic Computing Initiative (ASCI) computers and the ASCI developed codes at Sandia National Laboratories (SNL). The EMMA computer code is used to model such devices and simulate their operation. In this paper, I discuss the capabilities of the EMMA code for the modeling and simulation of one such electromechanical device, a slim-loop ferroelectric (SFE) firing set.

Numerical Experiments Investigating the Source of Explosion S-Waves

DTIC Science & Technology

2007-09-01

simulations in this study are based on the well-recorded 1993 Nonproliferation experiment (NPE) ( chemical kiloton). A regional 3-dimensional model...1-kiloton chemical explosion at the NTS. NPE details and research reports can be found in Denny and Stull (1994). Figure 3 shows the extensive...T., D. Helmberger, and G. Engen (1985). Evidence for tectonic release from underground nuclear explosions in long period S waves, Bull. Seismol. Soc

High Power Microwaves for Defense and Accelerator Applications

DTIC Science & Technology

1990-06-11

pulsed power machines are typically made for laboratory simulation of charged particle and radiation spectra of nuclear explosions . Early on, it was...cathode and then explosive 10 ionization. After the first few nanoseconds, the electron emission is from a plasma produced at the cathode. Typically the...Virtually nothing is needed except an electron beam source. This power and simplicity makes vircators particularly interesting for single shot or explosively

Coulomb explosion of uniformly charged spheroids

NASA Astrophysics Data System (ADS)

Grech, M.; Nuter, R.; Mikaberidze, A.; di Cintio, P.; Gremillet, L.; Lefebvre, E.; Saalmann, U.; Rost, J. M.; Skupin, S.

2011-11-01

A simple, semianalytical model is proposed for nonrelativistic Coulomb explosion of a uniformly charged spheroid. This model allows us to derive the time-dependent particle energy distributions. Simple expressions are also given for the characteristic explosion time and maximum particle energies in the limits of extreme prolate and oblate spheroids as well as for the sphere. Results of particle simulations are found to be in remarkably good agreement with the model.

Numerical simulation study on thermal response of PBX 9501 to low velocity impact

NASA Astrophysics Data System (ADS)

Lou, Jianfeng; Zhou, Tingting; Zhang, Yangeng; Zhang, Xiaoli

2017-01-01

Impact sensitivity of solid high explosives, an important index in evaluating the safety and performance of explosives, is an important concern in handling, storage, and shipping procedures. It is a great threat for either bare dynamite or shell charge when subjected to low velocity impact involved in traffic accidents or charge piece drops. The Steven test is an effective tool to study the relative sensitivity of various explosives. In this paper, we built the numerical simulation method involving mechanical, thermo and chemical properties of Steven test based on the thermo-mechanical coupled material model. In the model, the stress-strain relationship is described by dynamic plasticity model, the thermal effect of the explosive induced by impact is depicted by isotropic thermal material model, the chemical reaction of explosives is described by Arrhenius reaction rate law, and the effects of heating and melting on mechanical properties and thermal properties of materials are also taken into account. Specific to the standard Steven test, the thermal and mechanical response rules of PBX 9501 at various impact velocities were numerically analyzed, and the threshold velocity of explosive initiation was obtained, which is in good agreement with experimental results. In addition, the effect of confine condition of test device to the threshold velocity was explored.

ALE3D Simulation and Measurement of Violence in a Fast Cookoff Experiment with LX-10

DOE Office of Scientific and Technical Information (OSTI.GOV)

McClelland, M A; Maienschein, J L; Howard, W M

We performed a computational and experimental analysis of fast cookoff of LX-10 (94.7% HMX, 5.3% Viton A) confined in a 2 kbar steel tube with reinforced end caps. A Scaled-Thermal-Explosion-eXperiment (STEX) was completed in which three radiant heaters were used to heat the vessel until ignition, resulting in a moderately violent explosion after 20.4 minutes. Thermocouple measurements showed tube temperatures as high as 340 C at ignition and LX-10 surface temperatures as high as 279 C, which is near the melting point of HMX. Three micro-power radar systems were used to measure mean fragment velocities of 840 m/s. Photonics Dopplermore » Velocimeters (PDVs) showed a rapid acceleration of fragments over 80 {micro}s. A one-dimensional ALE3D cookoff model at the vessel midplane was used to simulate the heating, thermal expansion, LX-10 decomposition composition, and closing of the gap between the HE (High Explosive) and vessel wall. Although the ALE3D simulation terminated before ignition, the model provided a good representation of heat transfer through the case and across the dynamic gap to the explosive.« less

Predictive Capability of the Compressible MRG Equation for an Explosively Driven Particle with Validation

NASA Astrophysics Data System (ADS)

Garno, Joshua; Ouellet, Frederick; Koneru, Rahul; Balachandar, Sivaramakrishnan; Rollin, Bertrand

2017-11-01

An analytic model to describe the hydrodynamic forces on an explosively driven particle is not currently available. The Maxey-Riley-Gatignol (MRG) particle force equation generalized for compressible flows is well-studied in shock-tube applications, and captures the evolution of particle force extracted from controlled shock-tube experiments. In these experiments only the shock-particle interaction was examined, and the effects of the contact line were not investigated. In the present work, the predictive capability of this model is considered for the case where a particle is explosively ejected from a rigid barrel into ambient air. Particle trajectory information extracted from simulations is compared with experimental data. This configuration ensures that both the shock and contact produced by the detonation will influence the motion of the particle. The simulations are carried out using a finite volume, Euler-Lagrange code using the JWL equation of state to handle the explosive products. This work was supported by the U.S. Department of Energy, National Nuclear Security Administration, Advanced Simulation and Computing Program, as a Cooperative Agreement under the Predictive Science Academic Alliance Program,under Contract No. DE-NA0002378.

Experimental study on the influence of chemical sensitizer on pressure resistance in deep water of emulsion explosives

NASA Astrophysics Data System (ADS)

Liu, Lei; zhang, Zhihua; Wang, Ya; Qin, hao

2018-03-01

The study on the pressure resistance performance of emulsion explosives in deep water can provide theoretical basis for underwater blasting, deep-hole blasting and emulsion explosives development. The sensitizer is an important component of emulsion explosives. By using reusable experimental devices to simulate the charge environment in deep water, the influence of the content of chemical sensitizer on the deep-water pressure resistance performance of emulsion explosives was studied. The experimental results show that with the increasing of the content of chemical sensitizer, the deep-water pressure resistance performance of emulsion explosives gradually improves, and when the pressure is fairly large, the effect is particularly pronounced; in a certain range, with the increase of the content of chemical sensitizer, that emulsion explosives’ explosion performance also gradually improve, but when the content reaches a certain value, the explosion properties declined instead; under the same emulsion matrix condition, when the content of NANO2 is 0.2%, that the emulsion explosives has good resistance to water pressure and good explosion properties. The correctness of the results above was testified in model blasting.

Design and validation of inert homemade explosive simulants for ground penetrating radar

NASA Astrophysics Data System (ADS)

VanderGaast, Brian W.; McFee, John E.; Russell, Kevin L.; Faust, Anthony A.

2015-05-01

The Canadian Armed Forces (CAF) identified a requirement for inert simulants to act as improvised, or homemade, explosives (IEs) when training on, or evaluating, ground penetrating radar (GPR) systems commonly used in the detection of buried landmines and improvised explosive devices (IEDs). In response, Defence R and D Canada (DRDC) initiated a project to develop IE simulant formulations using commonly available inert materials. These simulants are intended to approximate the expected GPR response of common ammonium nitrate-based IEs, in particular ammonium nitrate/fuel oil (ANFO) and ammonium nitrate/aluminum (ANAl). The complex permittivity over the range of electromagnetic frequencies relevant to standard GPR systems was measured for bulk quantities of these three IEs that had been fabricated at DRDC Suffield Research Centre. Following these measurements, published literature was examined to find benign materials with both a similar complex permittivity, as well as other physical properties deemed desirable - such as low-toxicity, thermal stability, and commercial availability - in order to select candidates for subsequent simulant formulation. Suitable simulant formulations were identified for ANFO, with resulting complex permittivities measured to be within acceptable limits of target values. These IE formulations will now undergo end-user trials with CAF operators in order to confirm their utility. Investigations into ANAl simulants continues. This progress report outlines the development program, simulant design, and current validation results.

Dynamic Fracture Simulations of Explosively Loaded Cylinders

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arthur, Carly W.; Goto, D. M.

2015-11-30

This report documents the modeling results of high explosive experiments investigating dynamic fracture of steel (AerMet® 100 alloy) cylinders. The experiments were conducted at Lawrence Livermore National Laboratory (LLNL) during 2007 to 2008 [10]. A principal objective of this study was to gain an understanding of dynamic material failure through the analysis of hydrodynamic computer code simulations. Two-dimensional and three-dimensional computational cylinder models were analyzed using the ALE3D multi-physics computer code.

Radiation Transport in Type IA Supernovae

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eastman, R

1999-11-16

It has been said more than once that the critical link between explosion models and observations is the ability to accurately simulate cooling and radiation transport in the expanding ejecta of Type Ia supernovae. It is perhaps frustrating to some of the theorists who study explosion mechanisms, and to some of the observers too, that more definitive conclusions have not been reached about the agreement, or lack thereof, between various Type Ia supernova models and the data. Although claims of superlative accuracy in transport simulations are sometimes made, I will argue here that there are outstanding issues of critical importancemore » and in need of addressing before radiation transport calculations are accurate enough to discriminate between subtly different explosion models.« less

Investigations of Novel Sensor Technology for Explosive Specific Detection

DTIC Science & Technology

2009-12-01

considered impractical due to oxidation , however, a zinc analogue was synthesized to improve the photostability. [67] They concluded that AcrH2 is...of 2,4-dinitrotoluene in a γ- CD/metal oxide matrix and its sensitive detection via a cyclic surface polarization impedance (cSPI) method”, Chemistry...sensor ........................................................................................... 40 6.3.13 Nanofibrous membranes

Life Modeling for Nickel-Hydrogen Batteries in Geosynchronous Satellite Operation

DTIC Science & Technology

2005-03-25

aerothermodynamics; chemical and electric propulsion; environmental chemistry; combustion processes; space environment effects on materials, hardening and...intelligent microinstruments for monitoring space and launch system environments . Space Science Applications Laboratory: Magnetospheric, auroral and cosmic-ray...hyperspectral imagery to defense, civil space, commercial, and environmental missions; effects of solar activity, magnetic storms and nuclear explosions on the

Development of polyion-complex hydrogels as an alternative approach for the production of bio-based polymers for food packaging applications: A review

USDA-ARS?s Scientific Manuscript database

Development of packaging materials from renewable resources has for a long time been desirable for sustainability reasons, but with the recent explosion in prices of petroleum products, this now becomes also more economically viable. This paper shows how fundamental chemistry underlying three forms ...

Mini-Lab Activities: Inquiry-Based Lab Activities for Formative Assessment

ERIC Educational Resources Information Center

Branan, Daniel; Morgan, Matt

2010-01-01

Students everywhere love chemistry demonstrations, especially if they involve explosions. But have you ever wanted to move beyond the "wow" factor and find a way to incorporate active student learning into your demos? What if you could get them to think more deeply about what they're observing, and then find out if they really understand what…

Multidimensional neutrino-transport simulations of the core-collapse supernova central engine

NASA Astrophysics Data System (ADS)

O'Connor, Evan; Couch, Sean

2017-01-01

Core-collapse supernovae (CCSNe) mark the explosive death of a massive star. The explosion itself is triggered by the collapse of the iron core that forms near the end of a massive star's life. The core collapses to nuclear densities where the stiff nuclear equation of state halts the collapse and leads to the formation of the supernova shock. In many cases, this shock will eventually propagate throughout the entire star and produces a bright optical display. However, the path from shock formation to explosion has proven difficult to recreate in simulations. Soon after the shock forms, its outward propagation is stagnated and must be revived in order for the CCSNe to be successful. The leading theory for the mechanism that reenergizes the shock is the deposition of energy by neutrinos. In 1D simulations this mechanism fails. However, there is growing evidence that in 2D and 3D, hydrodynamic instabilities can assist the neutrino heating in reviving the shock. In this talk, I will present new multi-D neutrino-radiation-hydrodynamic simulations of CCSNe performed with the FLASH hydrodynamics package. I will discuss the efficacy of neutrino heating in our simulations and show the impact of the multi-D hydrodynamic instabilities.

Numerical experiments on evaporation and explosive boiling of ultra-thin liquid argon film on aluminum nanostructure substrate

NASA Astrophysics Data System (ADS)

Wang, Weidong; Zhang, Haiyan; Tian, Conghui; Meng, Xiaojie

2015-04-01

Evaporation and explosive boiling of ultra-thin liquid film are of great significant fundamental importance for both science and engineering applications. The evaporation and explosive boiling of ultra-thin liquid film absorbed on an aluminum nanostructure solid wall are investigated by means of molecular dynamics simulations. The simulated system consists of three regions: liquid argon, vapor argon, and an aluminum substrate decorated with nanostructures of different heights. Those simulations begin with an initial configuration for the complex liquid-vapor-solid system, followed by an equilibrating system at 90 K, and conclude with two different jump temperatures, including 150 and 310 K which are far beyond the critical temperature. The space and time dependences of temperature, pressure, density number, and net evaporation rate are monitored to investigate the phase transition process on a flat surface with and without nanostructures. The simulation results reveal that the nanostructures are of great help to raise the heat transfer efficiency and that evaporation rate increases with the nanostructures' height in a certain range.

Numerical experiments on evaporation and explosive boiling of ultra-thin liquid argon film on aluminum nanostructure substrate.

PubMed

Wang, Weidong; Zhang, Haiyan; Tian, Conghui; Meng, Xiaojie

2015-01-01

Evaporation and explosive boiling of ultra-thin liquid film are of great significant fundamental importance for both science and engineering applications. The evaporation and explosive boiling of ultra-thin liquid film absorbed on an aluminum nanostructure solid wall are investigated by means of molecular dynamics simulations. The simulated system consists of three regions: liquid argon, vapor argon, and an aluminum substrate decorated with nanostructures of different heights. Those simulations begin with an initial configuration for the complex liquid-vapor-solid system, followed by an equilibrating system at 90 K, and conclude with two different jump temperatures, including 150 and 310 K which are far beyond the critical temperature. The space and time dependences of temperature, pressure, density number, and net evaporation rate are monitored to investigate the phase transition process on a flat surface with and without nanostructures. The simulation results reveal that the nanostructures are of great help to raise the heat transfer efficiency and that evaporation rate increases with the nanostructures' height in a certain range.

Rg-Lg coupling as a Lg-wave excitation mechanism

NASA Astrophysics Data System (ADS)

Ge, Z.; Xie, X.

2003-12-01

Regional phase Lg is predominantly comprised of shear wave energy trapped in the crust. Explosion sources are expected to be less efficient for excitation of Lg phases than earthquakes to the extent that the source can be approximated as isotropic. Shallow explosions generate relatively large surface wave Rg compared to deeper earthquakes, and Rg is readily disrupted by crustal heterogeneity. Rg energy may thus scatter into trapped crustal S-waves near the source region and contribute to low-frequency Lg wave. In this study, a finite-difference modeling plus the slowness analysis are used for investigating the above mentioned Lg-wave excitation mechanism. The method allows us to investigate near source energy partitioning in multiple domains including frequency, slowness and time. The main advantage of this method is that it can be applied at close range, before Lg is actually formed, which allows us to use very fine near source velocity model to simulate the energy partitioning process. We use a layered velocity structure as the background model and add small near source random velocity patches to the model to generate the Rg to Lg coupling. Two types of simulations are conducted, (1) a fixed shallow explosion source vs. randomness at different depths and (2) a fixed shallow randomness vs. explosion sources at different depths. The results show apparent couplings between the Rg and Lg waves at lower frequencies (0.3-1.5 Hz). A shallow source combined with shallow randomness generates the maximum Lg-wave, which is consistent with the Rg energy distribution of a shallow explosion source. The Rg energy and excited Lg energy show a near linear relationship. The numerical simulation and slowness analysis suggest that the Rg to Lg coupling is an effective excitation mechanism for low frequency Lg-waves from a shallow explosion source.

On high explosive launching of projectiles for shock physics experiments

NASA Astrophysics Data System (ADS)

Swift, Damian C.; Forest, Charles A.; Clark, David A.; Buttler, William T.; Marr-Lyon, Mark; Rightley, Paul

2007-06-01

The hydrodynamic operation of the "Forest Flyer" type of explosive launching system for shock physics projectiles was investigated in detail using one and two dimensional continuum dynamics simulations. The simulations were numerically converged and insensitive to uncertainties in the material properties; they reproduced the speed of the projectile and the shape of its rear surface. The most commonly used variant, with an Al alloy case, was predicted to produce a slightly curved projectile, subjected to some shock heating and likely exhibiting some porosity from tensile damage. The curvature is caused by a shock reflected from the case; tensile damage is caused by the interaction of the Taylor wave pressure profile from the detonation wave with the free surface of the projectile. The simulations gave only an indication of tensile damage in the projectile, as damage is not understood well enough for predictions in this loading regime. The flatness can be improved by using a case of lower shock impedance, such as polymethyl methacrylate. High-impedance cases, including Al alloys but with denser materials improving the launching efficiency, can be used if designed according to the physics of oblique shock reflection, which indicates an appropriate case taper for any combination of explosive and case material. The tensile stress induced in the projectile depends on the relative thickness of the explosive, expansion gap, and projectile. The thinner the projectile with respect to the explosive, the smaller the tensile stress. Thus if the explosive is initiated with a plane wave lens, the tensile stress is lower than that for initiation with multiple detonators over a plane. The previous plane wave lens designs did, however, induce a tensile stress close to the spall strength of the projectile. The tensile stress can be reduced by changes in the component thicknesses. Experiments verifying the operation of explosively launched projectiles should attempt to measure porosity induced in the projectile: arrival time measurements are likely to be insensitive to porous regions caused by damaged or recollected material.

Core-collapse supernova simulations

NASA Astrophysics Data System (ADS)

Mueller, Bernhard

2017-01-01

Core-collapse supernovae, the deaths of massive stars, are among the most spectacular phenomena in astrophysics: Not only can supernovae outshine their host galaxy for weeks; they are also laboratories for the behavior of matter at supranuclear densities, and one of the few environments where collective neutrino effects can become important. Moreover, supernovae play a central role in the cosmic matter cycle, e.g., as the dominant producers of oxygen in the Universe. Yet the mechanism by which massive stars explode has eluded us for decades, partly because classical astronomical observations across the electromagnetic spectrum cannot directly probe the supernovae ``engine''. Numerical simulations are thus our primary tool for understanding the explosion mechanism(s) of massive stars. Rigorous modeling needs to take a host of important physical ingredients into account, such as the emission and partial reabsorption of neutrinos from the young proto-neutron star, multi-dimensional fluid motions, general relativistic gravity, the equation of state of nuclear matter, and magnetic fields. This is a challenging multi-physics problem that has not been fully solved yet. Nonetheless, as I shall argue in this talk, recent first-principle 3D simulations have gone a long way towards demonstrating the viability of the most popular explosion scenario, the ``neutrino-driven mechanism''. Focusing on successful explosion models of the MPA-QUB-Monash collaboration, I will discuss possible requirements for robust explosions across a wide range of progenitors, such as accurate neutrino opacities, stellar rotation, and seed asymmetries from convective shell burning. With the advent of successful explosion models, supernova theory can also be confronted with astronomical observations. I will show that recent 3D models come closer to matching observed explosion parameters (explosion energies, neutron star kicks) than older 2D models, although there are still discrepancies. This work has been supported by the ARC (grant DE150101145), NSF (PHY-1430152, JINA-CEE) and the supercomputing centers/initiatives NCI, Pawsey, and DiRAC.

Decomposition of the Seismic Source Using Numerical Simulations and Observations of Nuclear Explosions

DTIC Science & Technology

2017-05-31

SUBJECT TERMS nonlinear finite element calculations, nuclear explosion monitoring, topography 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT 18...3D North Korea calculations........ Figure 6. The CRAM 3D finite element outer grid (left) is rectangular......................... Figure 7. Stress...Figure 6. The CRAM 3D finite element outer grid (left) is rectangular. The inner grid (center) is shaped to match the shape of the explosion shock wave

Microscale Electromagnetic Heating in Heterogeneous Energetic Materials Based on X-ray Computed Tomography

NASA Astrophysics Data System (ADS)

Kort-Kamp, W. J. M.; Cordes, N. L.; Ionita, A.; Glover, B. B.; Duque, A. L. Higginbotham; Perry, W. L.; Patterson, B. M.; Dalvit, D. A. R.; Moore, D. S.

2016-04-01

Electromagnetic stimulation of energetic materials provides a noninvasive and nondestructive tool for detecting and identifying explosives. We combine structural information based on x-ray computed tomography, experimental dielectric data, and electromagnetic full-wave simulations to study microscale electromagnetic heating of realistic three-dimensional heterogeneous explosives. We analyze the formation of electromagnetic hot spots and thermal gradients in the explosive-binder mesostructures and compare the heating rate for various binder systems.

Structure-based classification and ontology in chemistry

PubMed Central

2012-01-01

Background Recent years have seen an explosion in the availability of data in the chemistry domain. With this information explosion, however, retrieving relevant results from the available information, and organising those results, become even harder problems. Computational processing is essential to filter and organise the available resources so as to better facilitate the work of scientists. Ontologies encode expert domain knowledge in a hierarchically organised machine-processable format. One such ontology for the chemical domain is ChEBI. ChEBI provides a classification of chemicals based on their structural features and a role or activity-based classification. An example of a structure-based class is 'pentacyclic compound' (compounds containing five-ring structures), while an example of a role-based class is 'analgesic', since many different chemicals can act as analgesics without sharing structural features. Structure-based classification in chemistry exploits elegant regularities and symmetries in the underlying chemical domain. As yet, there has been neither a systematic analysis of the types of structural classification in use in chemistry nor a comparison to the capabilities of available technologies. Results We analyze the different categories of structural classes in chemistry, presenting a list of patterns for features found in class definitions. We compare these patterns of class definition to tools which allow for automation of hierarchy construction within cheminformatics and within logic-based ontology technology, going into detail in the latter case with respect to the expressive capabilities of the Web Ontology Language and recent extensions for modelling structured objects. Finally we discuss the relationships and interactions between cheminformatics approaches and logic-based approaches. Conclusion Systems that perform intelligent reasoning tasks on chemistry data require a diverse set of underlying computational utilities including algorithmic, statistical and logic-based tools. For the task of automatic structure-based classification of chemical entities, essential to managing the vast swathes of chemical data being brought online, systems which are capable of hybrid reasoning combining several different approaches are crucial. We provide a thorough review of the available tools and methodologies, and identify areas of open research. PMID:22480202

The Use of Online Modules and the Effect on Student Outcomes in a High School Chemistry Class

NASA Astrophysics Data System (ADS)

Lamb, Richard L.; Annetta, Len

2013-10-01

The purpose of the study was to review the efficacy of online chemistry simulations in a high school chemistry class and provide discussion of the factors that may affect student learning. The sample consisted of 351 high school students exposed to online simulations. Researchers administered a pretest, intermediate test and posttest to measure chemistry content knowledge acquired during the use of online chemistry laboratory simulations. The authors also analyzed student journal entries as an attitudinal measure of chemistry during the simulation experience. The four analyses conducted were Repeated Time Measures Analysis of Variance, a three-way Analysis of Variance, Logistic Regression and Multiple Analysis of Variance. Each of these analyses provides for a slightly different aspect of factors regarding student attitudes and outcomes. Results indicate that there is a statistically significant main effect across grouping type (experimental versus control, p = 0.042, α = 0.05). Analysis of student journal entries suggests that attitudinal factors may affect student outcomes concerning the use of online supplemental instruction. Implications for this study show that the use of online simulations promotes increased understanding of chemistry content through open-ended and interactive questioning.

PUSHing core-collapse simulations to explosion

NASA Astrophysics Data System (ADS)

Fröhlich, C.; Perego, A.; Hempe, M.; Ebinger, K.; Eichler, M.; Casanova, J.; Liebendörfer, M.; Thielemann, F.-K.

2018-01-01

We report on the PUSH method for artificially triggering core-collapse supernova explosions of massive stars in spherical symmetry. The PUSH method increases the energy deposition in the gain region proportionally to the heavy flavor neutrino fluxes.We summarize the parameter dependence of the method and calibrate PUSH to reproduce SN 1987A observables. We identify a best-fit progenitor and set of parameters that fit the explosion properties of SN 1987A, assuming 0.1 M⊙ of fallback. For the explored progenitor range of 18-21 M⊙, we find correlations between explosion properties and the compactness of the progenitor model.

ON THE IMPACT OF THREE DIMENSIONS IN SIMULATIONS OF NEUTRINO-DRIVEN CORE-COLLAPSE SUPERNOVA EXPLOSIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Couch, Sean M., E-mail: smc@flash.uchicago.edu

2013-09-20

We present one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D) hydrodynamical simulations of core-collapse supernovae including a parameterized neutrino heating and cooling scheme in order to investigate the critical core neutrino luminosity (L{sub crit}) required for explosion. In contrast to some previous works, we find that 3D simulations explode later than 2D simulations, and that L{sub crit} at fixed mass accretion rate is somewhat higher in three dimensions than in two dimensions. We find, however, that in two dimensions L{sub crit} increases as the numerical resolution of the simulation increases. In contrast to some previous works, we argue that the averagemore » entropy of the gain region is in fact not a good indicator of explosion but is rather a reflection of the greater mass in the gain region in two dimensions. We compare our simulations to semi-analytic explosion criteria and examine the nature of the convective motions in two dimensions and three dimensions. We discuss the balance between neutrino-driven buoyancy and drag forces. In particular, we show that the drag force will be proportional to a buoyant plume's surface area while the buoyant force is proportional to a plume's volume and, therefore, plumes with greater volume-to-surface-area ratios will rise more quickly. We show that buoyant plumes in two dimensions are inherently larger, with greater volume-to-surface-area ratios, than plumes in three dimensions. In the scenario that the supernova shock expansion is dominated by neutrino-driven buoyancy, this balance between buoyancy and drag forces may explain why 3D simulations explode later than 2D simulations and why L{sub crit} increases with resolution. Finally, we provide a comparison of our results with other calculations in the literature.« less

Conduit dynamics and post explosion degassing on Stromboli: A combined UV camera and numerical modeling treatment

PubMed Central

McGonigle, A. J. S.; James, M. R.; Tamburello, G.; Aiuppa, A.; Delle Donne, D.; Ripepe, M.

2016-01-01

Abstract Recent gas flux measurements have shown that Strombolian explosions are often followed by periods of elevated flux, or “gas codas,” with durations of order a minute. Here we present UV camera data from 200 events recorded at Stromboli volcano to constrain the nature of these codas for the first time, providing estimates for combined explosion plus coda SO2 masses of ≈18–225 kg. Numerical simulations of gas slug ascent show that substantial proportions of the initial gas mass can be distributed into a train of “daughter bubbles” released from the base of the slug, which we suggest, generate the codas, on bursting at the surface. This process could also cause transitioning of slugs into cap bubbles, significantly reducing explosivity. This study is the first attempt to combine high temporal resolution gas flux data with numerical simulations of conduit gas flow to investigate volcanic degassing dynamics. PMID:27478285

Multi-factor Analysis of Pre-control Fracture Simulations about Projectile Material

NASA Astrophysics Data System (ADS)

Wan, Ren-Yi; Zhou, Wei

2016-05-01

The study of projectile material pre-control fracture is helpful to improve the projectile metal effective fragmentation and the material utilization rate. Fragments muzzle velocity and lethality can be affected by the different explosive charge and the way of initiation. The finite element software can simulate the process of projectile explosive rupture which has a pre-groove in the projectile shell surface and analysis of typical node velocity change with time, to provides a reference for the design and optimization of precontrol frag.

Simulation of detonation of ammonium nitrate fuel oil mixture confined by aluminum: edge angles for DSD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Short, Mark; Quirk, James J; Kiyanda, Charles B

2010-01-01

Non-ideal high explosives are typically porous, low-density materials with a low detonation velocity (3--5 km/s) and long detonation reaction zone ({approx} cms). As a result, the interaction of a non-ideal high explosive with an inert confiner can be markedly different than for a conventional high explosive. Issues arise, for example, with light stiff confiners where the confiner can drive the high explosive (HE) through a Prandtl-Meyer fan at the HE/confiner interface rather than the HE driving the confiner. For a non-ideal high explosive confined by a high sound speed inert such that the detonation velocity is lower than the inertmore » sound speed, the flow is subsonic and thus shockless in the confiner. In such cases, the standard detonation shock dynamics methodology, which requires a positive edge-angle be specified at the HE/confiner interface in order that the detonation shape be divergent, cannot be directly utilized. In order to study how detonation shock dynamics can be utilized in such cases, numerical simulations of the detonation of ammonium nitrate-fuel oil (ANFO) confined by aluminum 6061 are conducted.« less

Microphysics of Pyrocumulonimbus Clouds

NASA Technical Reports Server (NTRS)

Jensen, Eric; Ackerman, Andrew S.; Fridlind, Ann

2004-01-01

The intense heat from forest fires can generate explosive deep convective cloud systems that inject pollutants to high altitudes. Both satellite and high-altitude aircraft measurements have documented cases in which these pyrocumulonimbus clouds inject large amounts of smoke well into the stratosphere (Fromm and Servranckx 2003; Jost et al. 2004). This smoke can remain in the stratosphere, be transported large distances, and affect lower stratospheric chemistry. In addition recent in situ measurements in pyrocumulus updrafts have shown that the high concentrations of smoke particles have significant impacts on cloud microphysical properties. Very high droplet number densities result in delayed precipitation and may enhance lightning (Andrew et al. 2004). Presumably, the smoke particles will also lead to changes in the properties of anvil cirrus produces by the deep convection, with resulting influences on cloud radiative forcing. In situ sampling near the tops of mature pyrocumulonimbus is difficult due to the high altitude and violence of the storms. In this study, we use large eddy simulations (LES) with size-resolved microphysics to elucidate physical processes in pyrocumulonimbus clouds.

PhET Interactive Simulations: Transformative Tools for Teaching Chemistry

ERIC Educational Resources Information Center

Moore, Emily B.; Chamberlain, Julia M.; Parson, Robert; Perkins, Katherine K.

2014-01-01

Developing fluency across symbolic-, macroscopic-, and particulate-level representations is central to learning chemistry. Within the chemistry education community, animations and simulations that support multi-representational fluency are considered critical. With advances in the accessibility and sophistication of technology,…

Novel process windows for enabling, accelerating, and uplifting flow chemistry.

PubMed

Hessel, Volker; Kralisch, Dana; Kockmann, Norbert; Noël, Timothy; Wang, Qi

2013-05-01

Novel Process Windows make use of process conditions that are far from conventional practices. This involves the use of high temperatures, high pressures, high concentrations (solvent-free), new chemical transformations, explosive conditions, and process simplification and integration to boost synthetic chemistry on both the laboratory and production scale. Such harsh reaction conditions can be safely reached in microstructured reactors due to their excellent transport intensification properties. This Review discusses the different routes towards Novel Process Windows and provides several examples for each route grouped into different classes of chemical and process-design intensification. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Numerical modelling of underwater detonation of non-ideal condensed-phase explosives

NASA Astrophysics Data System (ADS)

Schoch, Stefan; Nikiforakis, Nikolaos

2015-01-01

The interest in underwater detonation tests originated from the military, since the expansion and subsequent collapse of the explosive bubble can cause considerable damage to surrounding structures or vessels. In military applications, the explosive is typically represented as a pre-burned material under high pressure, a reasonable assumption due to the short reaction zone lengths, and complete detonation of the unreacted explosive. Hence, numerical simulations of underwater detonation tests have been primarily concerned with the prediction of target loading and the damage incurred rather than the accurate modelling of the underwater detonation process. The mining industry in contrast has adopted the underwater detonation test as a means to experimentally characterise the energy output of their highly non-ideal explosives depending on explosive type and charge configuration. This characterisation requires a good understanding of how the charge shape, pond topography, charge depth, and additional charge confinement affect the energy release, some of which can be successfully quantified with the support of accurate numerical simulations. In this work, we propose a numerical framework which is able to capture the non-ideal explosive behaviour and in addition is capable of capturing both length scales: the reaction zone and the pond domain. The length scale problem is overcome with adaptive mesh refinement, which, along with the explosive model, is validated against experimental data of various TNT underwater detonations. The variety of detonation and bubble behaviour observed in non-ideal detonations is demonstrated in a parameter study over the reactivity of TNT. A representative underwater mining test containing an ammonium-nitrate fuel-oil ratestick charge is carried out to demonstrate that the presented method can be readily applied alongside experimental underwater detonation tests.

Microscale electromagnetic heating in heterogeneous energetic materials based on x-ray computed tomography

DOE PAGES

Kort-Kamp, W. J. M.; Cordes, N. L.; Ionita, A.; ...

2016-04-01

Electromagnetic stimulation of energetic materials provides a noninvasive and nondestructive tool for detecting and identifying explosives. We combine structural information based on x-ray computed tomography, experimental dielectric data, and electromagnetic full-wave simulations to study microscale electromagnetic heating of realistic three-dimensional heterogeneous explosives. In conclusion, we analyze the formation of electromagnetic hot spots and thermal gradients in the explosive-binder mesostructures and compare the heating rate for various binder systems.

Microscale electromagnetic heating in heterogeneous energetic materials based on x-ray computed tomography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kort-Kamp, W. J. M.; Cordes, N. L.; Ionita, A.

Electromagnetic stimulation of energetic materials provides a noninvasive and nondestructive tool for detecting and identifying explosives. We combine structural information based on x-ray computed tomography, experimental dielectric data, and electromagnetic full-wave simulations to study microscale electromagnetic heating of realistic three-dimensional heterogeneous explosives. In conclusion, we analyze the formation of electromagnetic hot spots and thermal gradients in the explosive-binder mesostructures and compare the heating rate for various binder systems.

Nonlinear to Linear Elastic Code Coupling in 2-D Axisymmetric Media.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Preston, Leiph

Explosions within the earth nonlinearly deform the local media, but at typical seismological observation distances, the seismic waves can be considered linear. Although nonlinear algorithms can simulate explosions in the very near field well, these codes are computationally expensive and inaccurate at propagating these signals to great distances. A linearized wave propagation code, coupled to a nonlinear code, provides an efficient mechanism to both accurately simulate the explosion itself and to propagate these signals to distant receivers. To this end we have coupled Sandia's nonlinear simulation algorithm CTH to a linearized elastic wave propagation code for 2-D axisymmetric media (axiElasti)more » by passing information from the nonlinear to the linear code via time-varying boundary conditions. In this report, we first develop the 2-D axisymmetric elastic wave equations in cylindrical coordinates. Next we show how we design the time-varying boundary conditions passing information from CTH to axiElasti, and finally we demonstrate the coupling code via a simple study of the elastic radius.« less

The ν process in the innermost supernova ejecta

NASA Astrophysics Data System (ADS)

Sieverding, Andre; Martínez Pinedo, Gabriel; Langanke, Karlheinz; Harris, J. Austin; Hix, W. Raphael

2018-01-01

The neutrino-induced nucleosynthesis (ν process) in supernova explosions of massive stars of solar metallicity with initial main sequence masses between 13 and 30 M⊙ has been studied with an analytic explosion model using a new extensive set of neutrino-nucleus cross-sections and spectral properties that agree with modern supernova simulations. The production factors for the nuclei 7Li, 11B, 19F, 138La and 180Ta, are still significantly enhanced but do not reproduce the full solar abundances. We study the possible contribution of the innermost supernova eject to the production of the light elements 7Li and 11B with tracer particles based on a 2D supernova simulation of a 12 M⊙ progenitor and conclude, that a contribution exists but is negligible for the total yield for this explosion model.

Characterization of plasma sprayed and explosively consolidated simulated lunar soil

DOE Office of Scientific and Technical Information (OSTI.GOV)

Powell, S.J.; Inal, O.T.; Smith, M.F.

1997-06-01

Two methods for the use of lunar materials for the construction of shelters on the Moon are being proposed: explosive consolidation of the soil into structural components and plasma spraying of the soil to join components. The plasma-sprayed coating would also provide protection from the intense radiation. In this work, a mare simulant was plasma-sprayed onto a stainless steel substrate. Deposition of a 0.020 inch coating using power inputs of 23, 25, 27 and 29 kW were compared. Hardness of the coatings increased with each increase of power to the system, while porosity at the interface decreased. All coatings exhibitedmore » good adhesion. Simultaneously, an explosively consolidated sample was similarly characterized to afford a comparison of structural features associated with each mode of proposed use.« less

Proceedings of the Numerical Modeling for Underground Nuclear Test Monitoring Symposium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Taylor, S.R.; Kamm, J.R.

1993-11-01

The purpose of the meeting was to discuss the state-of-the-art in numerical simulations of nuclear explosion phenomenology with applications to test ban monitoring. We focused on the uniqueness of model fits to data, the measurement and characterization of material response models, advanced modeling techniques, and applications of modeling to monitoring problems. The second goal of the symposium was to establish a dialogue between seismologists and explosion-source code calculators. The meeting was divided into five main sessions: explosion source phenomenology, material response modeling, numerical simulations, the seismic source, and phenomenology from near source to far field. We feel the symposium reachedmore » many of its goals. Individual papers submitted at the conference are indexed separately on the data base.« less

Surface-Accelerated Decomposition of δ-HMX.

PubMed

Sharia, Onise; Tsyshevsky, Roman; Kuklja, Maija M

2013-03-07

Despite extensive efforts to study the explosive decomposition of HMX, a cyclic nitramine widely used as a solid fuel, explosive, and propellant, an understanding of the physicochemical processes, governing the sensitivity of condensed HMX to detonation initiation is not yet achieved. Experimental and theoretical explorations of the initiation of chemistry are equally challenging because of many complex parallel processes, including the β-δ phase transition and the decomposition from both phases. Among four known polymorphs, HMX is produced in the most stable β-phase, which transforms into the most reactive δ-phase under heat or pressure. In this study, the homolytic NO2 loss and HONO elimination precursor reactions of the gas-phase, ideal crystal, and the (100) surface of δ-HMX are explored by first principles modeling. Our calculations revealed that the high sensitivity of δ-HMX is attributed to interactions of surfaces and molecular dipole moments. While both decomposition reactions coexist, the exothermic HONO-isomer formation catalyzes the N-NO2 homolysis, leading to fast violent explosions.

Ontologies in medicinal chemistry: current status and future challenges.

PubMed

Gómez-Pérez, Asunción; Martínez-Romero, Marcos; Rodríguez-González, Alejandro; Vázquez, Guillermo; Vázquez-Naya, José M

2013-01-01

Recent years have seen a dramatic increase in the amount and availability of data in the diverse areas of medicinal chemistry, making it possible to achieve significant advances in fields such as the design, synthesis and biological evaluation of compounds. However, with this data explosion, the storage, management and analysis of available data to extract relevant information has become even a more complex task that offers challenging research issues to Artificial Intelligence (AI) scientists. Ontologies have emerged in AI as a key tool to formally represent and semantically organize aspects of the real world. Beyond glossaries or thesauri, ontologies facilitate communication between experts and allow the application of computational techniques to extract useful information from available data. In medicinal chemistry, multiple ontologies have been developed during the last years which contain knowledge about chemical compounds and processes of synthesis of pharmaceutical products. This article reviews the principal standards and ontologies in medicinal chemistry, analyzes their main applications and suggests future directions.

Analysis and Simulation of Near-Field Ground Motions from the Source Physics Experiment

NASA Astrophysics Data System (ADS)

Antoun, T. H.; Vorobiev, O.; Xu, H.; Herbold, E. B.; Glenn, L.; Lomov, I.

2011-12-01

The Source Physics Experiment (SPE) at the Nevada National Security Site is planned as a series of chemical explosions under a variety of emplacement conditions. The goal of the SPE is to improve our physical understanding and ability to model explosively generated seismic waves, particularly S-waves. The first SPE explosion (SPE1) consisted of a 100 kg shot at a depth of 60 meters in granite (Climax Stock). The shot was well-recorded by an array of over 150 instruments, including both near-field wave motion measurements as well as far-field seismic measurements. This paper focuses on measurements and modeling of the near-field data, which included triaxial acceleration measurements at eighteen different locations azimuthally distributed around the explosive charge. Three triaxial accelerometers were embedded in each of six vertical boreholes, distributed in two concentric rings around the charge. The inner ring consisted of three equidistant boreholes at a radius of 10 m from the charge, and the outer ring consisted of another three equidistant boreholes at a radius of 20 m. In each borehole, the accelerometers were vertically distributed at depths of 60 m (shot horizon), 50 m and 15 m. Surface accelerations were also recorded along a radial line centered at surface ground zero. A review of the SPE1 data shows that the peak radial velocity as a function of scaled range is consistent with previous nuclear explosion data but exhibits greater variability. The scaled peak radial displacement also exhibits greater variability but the mean values are significantly higher than exhibited in previous nuclear explosion data. These higher displacements were also observed in calculations performed with a constitutive model based on nuclear explosion data in hard rock, but employed a JWL equation of state for the ANFO explosive used in SPE1. The reason for this behavior is believed to be the higher effective ratio of specific heats in the explosion products of the chemical explosive, leading to higher residual cavity pressure. Azimuthal scatter in the velocity data correspond to joint orientation, and as anticipated, the joints appear to be the principal source of observed shear wave generation in the near field. Preliminary modeling of the SPE1 data shows that continuum simulations that do not explicitly account for the effect of joints will not successfully reproduce the observed directional variations in the recorded data. However, 2D and 3D simulations that explicitly account for joints and pre-existing fractures show that a low friction angle, derived with water-filled joints, may account for the observed variation in peak velocity and displacement. Waves appear to propagate more readily in the direction of persistent joints, as opposed to staggered joints. Furthermore, the anisotropy associated with wave propagation seems to be more pronounced when the friction angle was lowered to account for the effect of saturation. Further modeling is being conducted with continued focus on the effect of the presence of joints and their properties on shear wave generation. Simulation results will be compared to experimental measurements of both radial and non-radial motions from the SPE1 event, as well as from planned future SPE explosions.

Ultrafast nuclear dynamics in halomethanes studied with time-resolved Coulomb explosion imaging and channel-selective Fourier spectroscopy

NASA Astrophysics Data System (ADS)

Malakar, Y.; Kaderiya, B.; Pearson, W. L.; Ziaee, F.; Kanaka Raju, P.; Zohrabi, M.; Jensen, K.; Rajput, J.; Ben-Itzhak, I.; Rolles, D.; Rudenko, A.

2016-05-01

Halomethanes have recently attracted considerable attention since they often serve as prototype systems for laser-controlled chemistry (e.g., selective bond breaking or concerted elimination reactions), and are important molecules in atmospheric chemistry. Here we combine a femtosecond laser pump-probe setup with coincident 3D ion momentum imaging apparatus to study strong-field induced nuclear dynamics in methane and several of its halogenated derivatives (CH3 I, CH2 I2, CH2 ICl). We apply a time-resolved Coulomb explosion imaging technique to map the nuclear motion on both, bound and continuum potential surfaces, disentangle different fragmentation pathways and, for halogenated molecules, observe clear signatures of vibrational wave packets in neutral or ionized states. Channel-selective and kinetic-energy resolved Fourier analysis of these data allows for unique identification of different electronic states and vibrational modes responsible for a particular structure. Supported by the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U. S. DOE. K. R. P. and W. L. P. supported by NSF Award No. IIA-143049. K.J. supported by the NSF-REU Grant No. PHYS-1461251.

Predicting the Emplacement of Improvised Explosive Devices: An Innovative Solution

ERIC Educational Resources Information Center

Lerner, Warren D.

2013-01-01

In this quantitative correlational study, simulated data were employed to examine artificial-intelligence techniques or, more specifically, artificial neural networks, as they relate to the location prediction of improvised explosive devices (IEDs). An ANN model was developed to predict IED placement, based upon terrain features and objects…

Simulation of Metal Particulates in High Energetic Materials

DTIC Science & Technology

2015-05-28

in explosive mixtures increases the density of the shock wave, causing a higher pressure in the shock . The high pressure in the shock is devastating...19 2.3.3 Explosive Materials with Aluminum Powders . . . . . . . . . . . . . . . . . 21 2.3.4 An Analysis of Shock ...32 3.2.4 Nozzling Sources . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35 3.3

A novel method for the measurement of the von Neumann spike in detonating high explosives

NASA Astrophysics Data System (ADS)

Sollier, A.; Bouyer, V.; Hébert, P.; Doucet, M.

2016-06-01

We present detonation wave profiles measured in T2 (97 wt. % TATB) and TX1 (52 wt. % TATB and 45 wt. % HMX) high explosives. The experiments consisted in initiating a detonation wave in a 15 mm diameter cylinder of explosive using an explosive wire detonator and an explosive booster. Free surface velocity wave profiles were measured at the explosive/air interface using a Photon Doppler Velocimetry system. We demonstrate that a comparison of these free surface wave profiles with those measured at explosive/window interfaces in similar conditions allows to bracket the von Neumann spike in a narrow range. For T2, our measurements show that the spike pressure lies between 35.9 and 40.1 GPa, whereas for TX1, it lies between 42.3 and 47.0 GPa. The numerical simulations performed in support to these measurements show that they can be used to calibrate reactive burn models and also to check the accuracy of the detonation products equation of state at low pressure.

Investigating ground effects on mixing and afterburning during a TNT explosion

NASA Astrophysics Data System (ADS)

Fedina, E.; Fureby, C.

2013-05-01

In this paper, the unconfined and semi-confined condensed phase explosions of TNT will be studied using large eddy simulations based on the unsteady, compressible, reacting, multi-species Navier-Stokes equations to gain further understanding of the physical processes involved in a condensed phase explosion and the effect of confinement on the physical processes involved. The analysis of the mixing and afterburning of TNT explosions in free air (unconfined) and near the ground (semi-confined) indicates that the combustion region of detonation products and air is determined by the vorticity patterns, which are induced by the Richtmeyer-Meshkov instabilities that arise during the explosion. When the explosive is detonated in the vicinity of a surface, the surface affects the shock propagation by creating complex shock systems, thereby changing the orientation of the vorticity, giving the afterburning a mushroom shape, and increasing performance of an explosive charge by prolonging the existence of the mixing layer and thereby the afterburning.

Modeling and Optimization of Shaped Charge Liner Collapse and Jet Formation

DTIC Science & Technology

1993-01-01

Properties of Chemical Explosives and Explosive Simulants," Technical Report UCRL -52997, University of California, CA, 1981. 22. Mader, C. L., "FORTRAN...Numerical Modeling of Detonations, University of California Press, CA, 19,9. 49. Wilkens, M. L., "The Equation of State of PBX 9404 and LX04-01 ," Report UCRL ...of High Explosive Detonation Products, Report UCRL -50422, University of Califor- nia, CA, 1968. 51. Green, L. G.; Traver, C. M.; and Erskine, D. J

Analysis and Simulation of Near-Field Wave Motion Data from the Source Physics Experiment Explosions

DTIC Science & Technology

2011-09-01

understanding and ability to model explosively generated seismic waves, particularly S-waves. The first SPE explosion (SPE1) consisted of a 100 kg shot at a...depth of 60 meters in granite (Climax Stock). The shot was well- recorded by an array of over 150 instruments, including both near-field wave motion...measurements as well as far- field seismic measurements. This paper focuses on measurements and modeling of the near-field data. A complimentary

New developments of the CARTE thermochemical code: A two-phase equation of state for nanocarbons

NASA Astrophysics Data System (ADS)

Dubois, Vincent; Pineau, Nicolas

2016-01-01

We developed a new equation of state (EOS) for nanocarbons in the thermodynamic range of high explosives detonation products (up to 50 GPa and 4000 K). This EOS was fitted to an extensive database of thermodynamic properties computed by molecular dynamics simulations of nanodiamonds and nano-onions with the LCBOPII potential. We reproduced the detonation properties of a variety of high explosives with the CARTE thermochemical code, including carbon-poor and carbon-rich explosives, with excellent accuracy.

Student Engagement with a Science Simulation: Aspects That Matter

ERIC Educational Resources Information Center

Rodrigues, Susan; Gvozdenko, Eugene

2011-01-01

It is argued that multimedia technology affords an opportunity to better visualise complex relationships often seen in chemistry. This paper describes the influence of chemistry simulation design facets on user progress through a simulation. Three versions of an acid-base titration simulation were randomly allocated to 36 volunteers to examine…

Generalized Pseudo-Reaction Zone Model for Non-Ideal Explosives

NASA Astrophysics Data System (ADS)

Wescott, Bradley

2007-06-01

The pseudo-reaction zone model was proposed to improve engineering scale simulations when using Detonation Shock Dynamics with high explosives that have a slow reaction component. In this work an extension of the pseudo-reaction zone model is developed for non-ideal explosives that propagate well below their steady-planar Chapman-Jouguet velocity. A programmed burn method utilizing Detonation Shock Dynamics and a detonation velocity dependent pseudo-reaction rate has been developed for non-ideal explosives and applied to the explosive mixture of ammonium nitrate and fuel oil (ANFO). The pseudo-reaction rate is calibrated to the experimentally obtained normal detonation velocity---shock curvature relation. The generalized pseudo-reaction zone model proposed here predicts the cylinder expansion to within 1% by accounting for the slow reaction in ANFO.

Large eddy simulation and experimental study on vented gasoline-air mixture explosions in a semi-confined obstructed pipe.

PubMed

Li, Guoqing; Du, Yang; Wang, Shimao; Qi, Sheng; Zhang, Peili; Chen, Wenzhuo

2017-10-05

In this work, LES simulation coupled with a TFC sub-grid combustion model has been performed in a semi-confined pipe (L/D=10, V=10L) in the presence of four hollow-square obstacles (BR=49.8%) with circular hollow cross-section, in order to study the premixed gasoline-air mixture explosions. The comparisons between simulated results and experimental results have been conducted. It was found that the simulated results were in good agreement with experimental data in terms of flame structures, flame locations and overpressure time histories. Moreover, the interaction between flame propagation process and obstacles, overpressure dynamics were analyzed. In addition, the effects of initial gasoline vapor concentration (lean (ϕ=1.3%), stoichiometric (ϕ=1.7%) and rich (ϕ=2.1%)), and the number of obstacles (from 1 to 4) were also investigated by experiments. Some of the experimental results have been compared with the literature data. It is found that the explosion parameters of gasoline-air mixtures (e.g. the maximum overpressure peaks, average overpressure growth rates, etc.) are different from some other fuels such as hydrogen, methane and LPG, etc. Copyright © 2017. Published by Elsevier B.V.

Coupling crystal plasticity and phase-field damage to simulate β-HMX-based polymer-bonded explosive under shock load

NASA Astrophysics Data System (ADS)

Grilli, Nicolo; Dandekar, Akshay; Koslowski, Marisol

2017-06-01

The development of high explosive materials requires constitutive models that are able to predict the influence of microstructure and loading conditions on shock sensitivity. In this work a model at the continuum-scale for the polymer-bonded explosive constituted of β-HMX particles embedded in a Sylgard matrix is developed. It includes a Murnaghan equation of state, a crystal plasticity model, based on power-law slip rate and hardening, and a phase field damage model based on crack regularization. The temperature increase due to chemical reactions is introduced by a heat source term, which is validated using results from reactive molecular dynamics simulations. An initial damage field representing pre-existing voids and cracks is used in the simulations to understand the effect of these inhomogeneities on the damage propagation and shock sensitivity. We show the predictions of the crystal plasticity model and the effect of the HMX crystal orientation on the shock initiation and on the dissipated plastic work and damage propagation. The simulation results are validated with ultra-fast dynamic transmission electron microscopy experiments and x-ray experiments carried out at Purdue University. Membership Pending.

Final Environmental Assessment for Proposed Enhanced Testing and Associated Training Use of the Giant Reusable Air Blast Simulator (GRABS) Site at Kirtland Air Force Base, New Mexico

DTIC Science & Technology

2015-02-01

Sustainable design measures such as the use of “green” technology (e.g., photovoltaic panels, solar collection, heat recovery systems, wind turbines , green...explosive test events. During a I ,000 pounds explosive test event, the sound pressure level can cause tinnitus ( ringing of the ears) with a temporary...quality. ln additional, biological simulant testing would only occur when winds are from the south; ensuring lands off the installation would be

3D Hydrodynamic Simulation of Classical Novae Explosions

NASA Astrophysics Data System (ADS)

Kendrick, Coleman J.

2015-01-01

This project investigates the formation and lifecycle of classical novae and determines how parameters such as: white dwarf mass, star mass and separation affect the evolution of the rotating binary system. These parameters affect the accretion rate, frequency of the nova explosions and light curves. Each particle in the simulation represents a volume of hydrogen gas and are initialized randomly in the outer shell of the companion star. The forces on each particle include: gravity, centrifugal, coriolis, friction, and Langevin. The friction and Langevin forces are used to model the viscosity and internal pressure of the gas. A velocity Verlet method with a one second time step is used to compute velocities and positions of the particles. A new particle recycling method was developed which was critical for computing an accurate and stable accretion rate and keeping the particle count reasonable. I used C++ and OpenCL to create my simulations and ran them on two Nvidia GTX580s. My simulations used up to 1 million particles and required up to 10 hours to complete. My simulation results for novae U Scorpii and DD Circinus are consistent with professional hydrodynamic simulations and observed experimental data (light curves and outburst frequencies). When the white dwarf mass is increased, the time between explosions decreases dramatically. My model was used to make the first prediction for the next outburst of nova DD Circinus. My simulations also show that the companion star blocks the expanding gas shell leading to an asymmetrical expanding shell.

Continuum dislocation-density based models for the dynamic shock response of single-crystal and polycrystalline materials

NASA Astrophysics Data System (ADS)

Luscher, Darby

2017-06-01

The dynamic thermomechanical responses of polycrystalline materials under shock loading are often dominated by the interaction of defects and interfaces. For example, polymer-bonded explosives (PBX) can initiate under weak shock impacts whose energy, if distributed homogeneously throughout the material, translates to temperature increases that are insufficient to drive the rapid chemistry observed. In such cases, heterogeneous thermomechanical interactions at the mesoscale (i.e. between single-crystal and macroscale) lead to the formation of localized hot spots. Within metals, a prescribed deformation associated with a shock wave may be accommodated by crystallographic slip, provided a sufficient population of mobile dislocations is available. However, if the deformation rate is large enough, there may be an insufficient number of freely mobile dislocations. In these cases, additional dislocations may be nucleated, or alternate mechanisms (e.g. twinning, damage) activated in order to accommodate the deformation. Direct numerical simulation at the mesoscale offers insight into these physical processes that can be invaluable to the development of macroscale constitutive theories, if the mesoscale models adequately represent the anisotropic nonlinear thermomechanical response of individual crystals and their interfaces. This talk will briefly outline a continuum mesoscale modeling framework founded upon local and nonlocal variations of dislocation-density based crystal plasticity theory. The nonlocal theory couples continuum dislocation transport with the local theory. In the latter, dislocation transport is modeled by enforcing dislocation conservation at a slip-system level through the solution of advection-diffusion equations. The configuration of geometrically necessary dislocation density gives rise to a back-stress that inhibits or accentuates the flow of dislocations. Development of the local theory and application to modeling the explosive molecular crystal RDX and polycrystalline PBX will be discussed. The talk will also emphasize recent implementation of the coupled nonlocal model into a 3D shock hydrocode and simulation results for the dynamic response of polycrystalline copper in two and three dimensions.

Structure of hydrogen-rich transverse jets in a vitiated turbulent flow

DOE PAGES

Lyra, Sgouria; Wilde, Benjamin; Kolla, Hemanth; ...

2014-11-24

Our paper reports the results of a joint experimental and numerical study of the flow characteristics and flame structure of a hydrogen rich jet injected normal to a turbulent, vitiated crossflow of lean methane combustion products. Simultaneous high-speed stereoscopic PIV and OH PLIF measurements were obtained and analyzed alongside three-dimensional direct numerical simulations of inert and reacting JICF with detailed H2/COH2/CO chemistry. Both the experiment and the simulation reveal that, contrary to most previous studies of reacting JICF stabilized in low-to-moderate temperature air crossflow, the present conditions lead to a burner-attached flame that initiates uniformly around the burner edge. Significantmore » asymmetry is observed, however, between the reaction zones located on the windward and leeward sides of the jet, due to the substantially different scalar dissipation rates. The windward reaction zone is much thinner in the near field, while also exhibiting significantly higher local and global heat release than the much broader reaction zone found on the leeward side of the jet. The unsteady dynamics of the windward shear layer, which largely control the important jet/crossflow mixing processes in that region, are explored in order to elucidate the important flow stability implications arising in the inert and reacting JICF. The paper concludes with an analysis of the ignition, flame characteristics, and global structure of the burner-attached flame. FurthermoreChemical explosive mode analysis (CEMA) shows that the entire windward shear layer, and a large region on the leeward side of the jet, are highly explosive prior to ignition and are dominated by non-premixed flame structures after ignition. The predominantly mixing limited nature of the flow after ignition is examined by computing the Takeno flame index, which shows that ~70% of the heat release occurs in non-premixed regions.« less

Numerical Simulation of Ionospheric Disturbances Generated by the Chelyabinsk and Tunguska Space Body Impacts

NASA Astrophysics Data System (ADS)

Shuvalov, V. V.; Khazins, V. M.

2018-03-01

Numerical simulation of atmospheric disturbances during the first hours after the Chelyabinsk and Tunguska space body impacts has been carried out. The results of detailed calculations, including the stages of destruction, evaporation and deceleration of the cosmic body, the generation of atmospheric disturbances and their propagation over distances of thousands of kilometers, have been compared with the results of spherical explosions with energy equal to the kinetic energy of meteoroids. It has been shown that in the case of the Chelyabinsk meteorite, an explosive analogy provides acceptable dimensions of the perturbed region and the perturbation amplitude. With a more powerful Tunguska fall, the resulting atmospheric flow is very different from the explosive one; an atmospheric plume emerges that releases matter from the meteoric trace to an altitude of the order of a thousand kilometers.

The ν process in the innermost supernova ejecta

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sieverding, Andre; Martínez-Pinedo, Gabriel; Langanke, Karlheinz

2017-12-01

The neutrino-induced nucleosynthesis (ν process) in supernova explosions of massive stars of solar metallicity with initial main sequence masses between 13 and 30 M⊙ has been studied with an analytic explosion model using a new extensive set of neutrino-nucleus cross-sections and spectral properties that agree with modern supernova simulations. The production factors for the nuclei 7Li, 11B, 19F, 138La and 180Ta, are still significantly enhanced but do not reproduce the full solar abundances. We study the possible contribution of the innermost supernova eject to the production of the light elements 7Li and 11B with tracer particles based on a 2Dmore » supernova simulation of a 12 M⊙ progenitor and conclude, that a contribution exists but is negligible for the total yield for this explosion model.« less

Explosion hazards of LPG-air mixtures in vented enclosure with obstacles.

PubMed

Zhang, Qi; Wang, Yaxing; Lian, Zhen

2017-07-15

Numerical simulations were performed to study explosion characteristics of liquefied petroleum gas (LPG) explosion in enclosure with a vent. Unlike explosion overpressure and dynamic pressure, explosion temperature of the LPG-air mixture at a given concentration in a vented enclosure has very little variation with obstacle numbers for a given blockage ratio. For an enclosure without obstacle, explosion overpressures for the stoichiometric mixtures and the fuel-lean mixtures reach their maximum within the vent and that for fuel-rich mixture reaches its maximum beyond and near the vent. Dynamic pressures produced by an indoor LPG explosion reach their maximum always beyond the vent no matter obstacles are present or not in the enclosure. A LPG explosion in a vented enclosure with built-in obstacles is strong enough to make the brick and mortar wall with a thickness of 370mm damaged. If there is no obstacle in the enclosure, the lower explosion pressure of several kPa can not break the brick and mortar wall with a thickness of 370mm. For a LPG explosion produced in an enclosure with a vent, main hazards, within the vent, are overpressure and high temperature. However main hazards are dynamic pressure, blast wind, and high temperature beyond the vent. Copyright © 2017 Elsevier B.V. All rights reserved.

Modeling and Simulation of Survivable Armor Design Studies for IED Threats

DTIC Science & Technology

2008-03-01

to be a threat both globally and domestically. One of the deadly devices in this arsenal is the Explosively Formed Projectile ( EPF ). This study...continues to be a threat both globally and domestically. One of the deadly devices in this arsenal is the Explosively Formed Projectile ( EPF ). This study

A single cell model for pretreatment of wood by microwave explosion

Treesearch

Xianjun Li; Yongdong Zhou; Yonglin Yan; Zhiyong Cai; Fu Feng

2010-01-01

A theoretical model was developed to better understand the process of microwave explosion treatment of wood cells. The cell expansion and critical conditions concerning pressure and temperature of ray parenchyma cells in Eucalyptus urophylla were simulated during microwave pretreatment. The results indicate that longitudinal and circumferential stresses were generated...

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lu, Tianfeng

The goal of the proposed research is to create computational flame diagnostics (CFLD) that are rigorous numerical algorithms for systematic detection of critical flame features, such as ignition, extinction, and premixed and non-premixed flamelets, and to understand the underlying physicochemical processes controlling limit flame phenomena, flame stabilization, turbulence-chemistry interactions and pollutant emissions etc. The goal has been accomplished through an integrated effort on mechanism reduction, direct numerical simulations (DNS) of flames at engine conditions and a variety of turbulent flames with transport fuels, computational diagnostics, turbulence modeling, and DNS data mining and data reduction. The computational diagnostics are primarily basedmore » on the chemical explosive mode analysis (CEMA) and a recently developed bifurcation analysis using datasets from first-principle simulations of 0-D reactors, 1-D laminar flames, and 2-D and 3-D DNS (collaboration with J.H. Chen and S. Som at Argonne, and C.S. Yoo at UNIST). Non-stiff reduced mechanisms for transportation fuels amenable for 3-D DNS are developed through graph-based methods and timescale analysis. The flame structures, stabilization mechanisms, local ignition and extinction etc., and the rate controlling chemical processes are unambiguously identified through CFLD. CEMA is further employed to segment complex turbulent flames based on the critical flame features, such as premixed reaction fronts, and to enable zone-adaptive turbulent combustion modeling.« less

JPRS Report, Science & Technology, USSR: Chemistry.

DTIC Science & Technology

1988-07-06

During Hydrodynamic Cavitation [A. V. Yefimov, G.A. Vorobyev; ZHURNAL FIZICHESKOY KHIMII No 1, Jan 88] 7 COMBUSTION AND EXPLOSIVES Suppression of...RSR", 1988 12770 Microhits and Luminescent Flashes During Hydrodynamic Cavitation 18410249b Moscow ZHURNAL FIZICHESKOY KHIMII in Russian Vol 62, No...monitor the occurrence of hydrodynamic cavitation and make an online estimate of its erosion activity by using devices based on photomultiplier tubes

Vibrational Energy in Molecules and Nanoparticles: Applications to Energetic Materials

DTIC Science & Technology

2009-01-30

of vibrational energy in a polyatomic molecule, nitromethane . Work on water and amino acids partially supported by AFOSR are developmental in nature...have characterized the surface vibrations of HMX explosive and their interaction with polymer binders. We have introduced a major improvement in SFG...Vibrational energy in nitromethane and benzene E. Time resolved spectroscopy of chemistry in flash-heated nanoenergetic materials F. Complete

Measurements of nitric oxide after a nuclear burst

NASA Technical Reports Server (NTRS)

Mcghan, M.; Shaw, A.; Megill, L. R.; Sedlacek, W.; Guthals, P. R.; Fowler, M. M.

1981-01-01

Measurements of ozone and nitric oxide in a nuclear cloud 7 days after the explosion are reported. No measurable increase above ambient density of either ozone or nitric oxide was found. Results from a chemistry model of the cloud do not agree with the measurement unless 'nonstandard' assumptions are made with regard to the operating chemical processes. A number of possible explanations of the results are discussed.

JPRS Report, Science & Technology, USSR: Chemistry.

DTIC Science & Technology

1987-12-11

UDC 536.75:541.128.7 BIFURCATIONAL ANALYSIS OF AUTO-OSCILLATING MODEL OF SYSTEM POTASSIUM IODATE - HYDROGEN PEROXIDE - CYSTE1NE - SULFURIC ACID Kiev...the explosive drilling team of the first ore administration of the Ural Potassium Association headed by Hero of Socialist Labor N. P. Savchuk, because...Republic Socialist Republic of Rumania USSR CSSR Mineral fertilizers Nitrogen Phosphate Potassium Mineral fertilizers play a significant role in

Groundwater Chemistry and Microbial Ecology Effects on Explosives Biodegradation

DTIC Science & Technology

2008-09-01

was detected (grouping near the known RDX-degrading actinobacteria ). Two bands recovered from RDX- degrading groundwater amended with succinate...about equal numbers of genera in the betaproteobacteria, gammaproteobacteria, actinobacteria , and firmicutes phyla. 3) The lack of detection of...microorganisms capable of using RDX as a nitrogen source) of 8 microcosms receiving cheese whey. The 16S rRNA gene sequences belonged to Actinobacteria 9

New insights into the explosive history of the Yellowstone super-volcano from high-precision dating and mineral chemistry

NASA Astrophysics Data System (ADS)

Ellis, B. S.; Mark, D. F.; Nix, C.; Rowe, M. C.; Wolff, J. A.; Kent, A. J.; Loewen, M. W.

2012-12-01

Yellowstone is commonly held up as the archetypal 'super-volcano', having had three major eruptive episodes at ~ 2 Ma, 1.3 Ma, and 0.6 Ma. However, given the importance of such large magnitude events on all scales from local to global, this idea has been held up to surprisingly little rigorous testing. Here we combine new high-precision Ar/Ar geochronology and mineral chemistry from multiple phases to shed new light on the explosive history of the Huckleberry Ridge and Lava Creek eruptions from the Yellowstone volcanic field. Recent high precision 40Ar/39Ar geochronology has shown that member C of the Huckleberry Ridge Tuff was erupted at least 6,000 years later than members A and B. This result is supported by significant differences in the compositions of fayalitic olivine, augite, and quartz between the different members. Mafic minerals are compositionally homogeneous with augites and fayalites of member C less magnesian than those found in members A and B. Quartz grains show a variety of textures in CL imaging and have within-grain variations in titanium (determined via EMPA and LA-ICPMS) reaching a factor of 2. Again, member C of the Huckleberry Ridge Tuff has distinct compositions of quartz (with higher Ti up to 242 ppm) than earlier erupted HRT. Quartz from Lava Creek Tuff shows differences in abundance of Ti between members A and B with member A having generally lower Ti (average 55 ppm) than member B (average 102 ppm). The mineral-scale chemistry presented here agrees with the pre-existing field evidence, radiogenic isotopic variation and high-precision geochronology to indicate that member C of Huckleberry Ridge Tuff represents a different magma to that which erupted and formed members A and B. Combining high-precision geochronology and detailed mineral-scale geochemistry from a number of different phases provides a robust method of distinguishing individual magma batches and clarifying the explosive history of a volcano. Our new data suggest that in some cases 'super-eruptions' might be better thought of as a series of large eruptions over a short timespan rather than a single gigantic event.

Infrasound radiated by the Gerdec and Chelopechene explosions: propagation along unexpected paths

NASA Astrophysics Data System (ADS)

Green, David N.; Vergoz, Julien; Gibson, Robert; Le Pichon, Alexis; Ceranna, Lars

2011-05-01

Infrasound propagation paths through the atmosphere are controlled by the temporally and spatially varying sound speed and wind speed amplitudes. Because of the complexity of atmospheric acoustic propagation it is often difficult to reconcile observed infrasonic arrivals with the sound speed profiles predicted by meteorological specifications. This paper provides analyses of unexpected arrivals recorded in Europe and north Africa from two series of accidental munitions dump explosions, recorded at ranges greater than 1000 km: two explosions at Gerdec, Albania, on 2008 March 15 and four explosions at Chelopechene, Bulgaria, on 2008 July 3. The recorded signal characteristics include multiple pulsed arrivals, celerities between 0.24 and 0.34 km s-1 and some signal frequency content above 1 Hz. Often such characteristics are associated with waves that have propagated within a ground-to-stratosphere waveguide, although the observed celerities extend both above and below the conventional range for stratospheric arrivals. However, state-of-the-art meteorological specifications indicate that either weak, or no, ground-to-stratosphere waveguides are present along the source-to-receiver paths. By incorporating realistic gravity-wave induced horizontal velocity fluctuations into time-domain Parabolic Equation models the pulsed nature of the signals is simulated, and arrival times are predicted to within 30 s of the observed values (<1 per cent of the source-to-receiver transit time). Modelling amplitudes is highly dependent upon estimates of the unknown acoustic source strength (or equivalent chemical explosive yield). Current empirical explosive yield relationships, derived from infrasonic amplitude measurements from point-source chemical explosions, suggest that the equivalent chemical yield of the largest Gerdec explosion was of the order of 1 kt and the largest Chelopechene explosion was of the order of 100 t. When incorporating these assumed yields, the Parabolic Equation simulations predict peak signal amplitudes to within an order of magnitude of the observed values. As gravity wave velocity perturbations can significantly influence both infrasonic arrival times and signal amplitudes they need to be accounted for in source location and yield estimation routines, both of which are important for explosion monitoring, especially in the context of the Comprehensive Nuclear-Test-Ban Treaty.

Numerical Simulation of Shock-Dispersed Fuel Charges

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bell, John B.; Day, Marcus; Beckner, Vincent

Successfully attacking underground storage facilities for chemical and biological (C/B) weapons is an important mission area for the Department of Defense. The fate of a C/B agent during an attack depends critically on the pressure and thermal environment that the agent experiences. The initial environment is determined by the blast wave from an explosive device. The byproducts of the detonation provide a fuel source that burn when mixed with oxidizer (after burning). Additional energy can be released by the ignition of the C/B agent as it mixes with the explosion products and the air in the chamber. Hot plumes ventingmore » material from any openings in the chamber can provide fuel for additional energy release when mixed with additional oxidizer. Assessment of the effectiveness of current explosives as well as the development of new explosive systems requires a detailed understanding of all of these modes of energy release. Using methodologies based on the use of higher-order Godunov schemes combined with Adaptive Mesh Refinement (AMR), implemented in a parallel adaptive framework suited to the massively parallel computer systems provided by the DOD High-Performance Computing Modernization program, we use a suite of programs to develop predictive models for the simulation of the energetics of blast waves, deflagration waves and ejecta plumes. The programs use realistic reaction kinetic and thermodynamic models provided by standard components (such as CHEMKIN) as well as other novel methods to model enhanced explosive devices. The work described here focuses on the validation of these models against a series of bomb calorimetry experiments performed at the Ernst-Mach Institute. In this paper, we present three-dimensional simulations of the experiments, examining the explosion dynamics and the role of subsequent burning on the explosion products on the thermal and pressure environment within the calorimeter. The effects of burning are quantified by comparing two sets of computations, one in which the calorimeter is filled with nitrogen so there is no after burning and a second in which the calorimeter contains air.« less

ON THE IMPORTANCE OF THE EQUATION OF STATE FOR THE NEUTRINO-DRIVEN SUPERNOVA EXPLOSION MECHANISM

DOE Office of Scientific and Technical Information (OSTI.GOV)

Suwa, Yudai; Takiwaki, Tomoya; Kotake, Kei

2013-02-10

By implementing the widely used equations of state (EOS) from Lattimer and Swesty (LS) and H. Shen et al. (SHEN) in core-collapse supernova simulations, we explore possible impacts of these EOS on the post-bounce dynamics prior to the onset of neutrino-driven explosions. Our spherically symmetric (1D) and axially symmetric (2D) models are based on neutrino radiation hydrodynamics including spectral transport, which is solved by the isotropic diffusion source approximation. We confirm that in 1D simulations neutrino-driven explosions cannot be obtained for any of the employed EOS. Impacts of the EOS on the post-bounce hydrodynamics are more clearly visible in 2Dmore » simulations. In 2D models of a 15 M {sub Sun} progenitor using the LS EOS, the stalled bounce shock expands to increasingly larger radii, which is not the case when using the SHEN EOS. Keeping in mind that the omission of the energy drain by heavy-lepton neutrinos in the present scheme could facilitate explosions, we find that 2D models of an 11.2 M {sub Sun} progenitor produce neutrino-driven explosions for all the EOS under investigation. Models using the LS EOS are slightly more energetic compared with those with the SHEN EOS. The more efficient neutrino heating in the LS models coincides with a higher electron antineutrino luminosity and a larger mass that is enclosed within the gain region. The models based on the LS EOS also show a more vigorous and aspherical downflow of accreting matter to the surface of the protoneutron star (PNS). The accretion pattern is essential for the production and strength of outgoing pressure waves, which can push in turn the shock to larger radii and provide more favorable conditions for the explosion. Based on our models, we investigate several diagnostic indicators of the explosion that have been suggested in the literature, e.g., the amplitude of the standing accretion shock instability mode, the mass-weighted average entropy in the gain region, the PNS radius, the antesonic condition, the ratio of advection and heating timescales, the neutrino heating efficiency, and the growth parameter of convection.« less

Effects of Aircraft Wake Dynamics on Measured and Simulated NO(x) and HO(x) Wake Chemistry. Appendix B

NASA Technical Reports Server (NTRS)

Lewellen, D. C.; Lewellen, W. S.

2001-01-01

High-resolution numerical large-eddy simulations of the near wake of a B757 including simplified NOx and HOx chemistry were performed to explore the effects of dynamics on chemistry in wakes of ages from a few seconds to several minutes. Dilution plays an important basic role in the NOx-O3 chemistry in the wake, while a more interesting interaction between the chemistry and dynamics occurs for the HOx species. These simulation results are compared with published measurements of OH and HO2 within a B757 wake under cruise conditions in the upper troposphere taken during the Subsonic Aircraft Contrail and Cloud Effects Special Study (SUCCESS) mission in May 1996. The simulation provides a much finer grained representation of the chemistry and dynamics of the early wake than is possible from the 1 s data samples taken in situ. The comparison suggests that the previously reported discrepancy of up to a factor of 20 - 50 between the SUCCESS measurements of the [HO2]/[OH] ratio and that predicted by simplified theoretical computations is due to the combined effects of large mixing rates around the wake plume edges and averaging over volumes containing large species fluctuations. The results demonstrate the feasibility of using three-dimensional unsteady large-eddy simulations with coupled chemistry to study such phenomena.

Ultrafast Coulomb explosion of a diiodomethane molecule induced by an X-ray free-electron laser pulse.

PubMed

Takanashi, Tsukasa; Nakamura, Kosuke; Kukk, Edwin; Motomura, Koji; Fukuzawa, Hironobu; Nagaya, Kiyonobu; Wada, Shin-Ichi; Kumagai, Yoshiaki; Iablonskyi, Denys; Ito, Yuta; Sakakibara, Yuta; You, Daehyun; Nishiyama, Toshiyuki; Asa, Kazuki; Sato, Yuhiro; Umemoto, Takayuki; Kariyazono, Kango; Ochiai, Kohei; Kanno, Manabu; Yamazaki, Kaoru; Kooser, Kuno; Nicolas, Christophe; Miron, Catalin; Asavei, Theodor; Neagu, Liviu; Schöffler, Markus; Kastirke, Gregor; Liu, Xiao-Jing; Rudenko, Artem; Owada, Shigeki; Katayama, Tetsuo; Togashi, Tadashi; Tono, Kensuke; Yabashi, Makina; Kono, Hirohiko; Ueda, Kiyoshi

2017-08-02

Coulomb explosion of diiodomethane CH 2 I 2 molecules irradiated by ultrashort and intense X-ray pulses from SACLA, the Japanese X-ray free electron laser facility, was investigated by multi-ion coincidence measurements and self-consistent charge density-functional-based tight-binding (SCC-DFTB) simulations. The diiodomethane molecule, containing two heavy-atom X-ray absorbing sites, exhibits a rather different charge generation and nuclear motion dynamics compared to iodomethane CH 3 I with only a single heavy atom, as studied earlier. We focus on charge creation and distribution in CH 2 I 2 in comparison to CH 3 I. The release of kinetic energy into atomic ion fragments is also studied by comparing SCC-DFTB simulations with the experiment. Compared to earlier simulations, several key enhancements are made, such as the introduction of a bond axis recoil model, where vibrational energy generated during charge creation processes induces only bond stretching or shrinking. We also propose an analytical Coulomb energy partition model to extract the essential mechanism of Coulomb explosion of molecules from the computed and the experimentally measured kinetic energies of fragment atomic ions by partitioning each pair Coulomb interaction energy into two ions of the pair under the constraint of momentum conservation. Effective internuclear distances assigned to individual fragment ions at the critical moment of the Coulomb explosion are then estimated from the average kinetic energies of the ions. We demonstrate, with good agreement between the experiment and the SCC-DFTB simulation, how the more heavily charged iodine fragments and their interplay define the characteristic features of the Coulomb explosion of CH 2 I 2 . The present study also confirms earlier findings concerning the magnitude of bond elongation in the ultrashort X-ray pulse duration, showing that structural damage to all but C-H bonds does not develop to a noticeable degree in the pulse length of ∼10 fs.

Abaqus Simulations of Rock Response to Dynamic Loading

DOE Office of Scientific and Technical Information (OSTI.GOV)

Steedman, David W.; Coblentz, David

The LANL Geodynamics Team has been applying Abaqus modeling to achieve increasingly complex simulations. Advancements in Abaqus model building and simulation tools allows this progress. We use Lab-developed constitutive models, the fully coupled CEL Abaqus and general contact to simulate response of realistic sites to explosively driven shock.

Inter-Level Scaffolding and Sequences of Representational Activities in Teaching a Chemical System with Graphical Simulations

ERIC Educational Resources Information Center

Li, Na; Black, John B.

2016-01-01

Chemistry knowledge can be represented at macro-, micro- and symbolic levels, and learning a chemistry topic requires students to engage in multiple representational activities. This study focused on scaffolding for inter-level connection-making in learning chemistry knowledge with graphical simulations. We also tested whether different sequences…

Metallic glass coating on metals plate by adjusted explosive welding technique

NASA Astrophysics Data System (ADS)

Liu, W. D.; Liu, K. X.; Chen, Q. Y.; Wang, J. T.; Yan, H. H.; Li, X. J.

2009-09-01

Using an adjusted explosive welding technique, an aluminum plate has been coated by a Fe-based metallic glass foil in this work. Scanning electronic micrographs reveal a defect-free metallurgical bonding between the Fe-based metallic glass foil and the aluminum plate. Experimental evidence indicates that the Fe-based metallic glass foil almost retains its amorphous state and mechanical properties after the explosive welding process. Additionally, the detailed explosive welding process has been simulated by a self-developed hydro-code and the bonding mechanism has been investigated by numerical analysis. The successful welding between the Fe-based metallic glass foil and the aluminum plate provides a new way to obtain amorphous coating on general metal substrates.

High-Speed Photography of Detonation Propagation in Dynamically Precompressed Liquid Explosives

NASA Astrophysics Data System (ADS)

Petel, O. E.; Higgins, A. J.; Yoshinaka, A. C.; Zhang, F.

2007-12-01

The propagation of detonation in shock-compressed nitromethane was observed with a high-speed framing camera. The test explosive, nitromethane, was compressed by a reverberating shock wave to pressures as high as 10 GPa prior to being detonated by a secondary detonation event. The pressure and density in the test explosive prior to detonation were determined using two methods: manganin stress gauge measurements and LS-DYNA simulations. The velocity of the detonation front was determined from consecutive frames and correlated to the density of the reverberating shock-compressed explosive prior to detonation. Observing detonation propagation under these non-ambient conditions provides data which can be useful in the validation of equation of state models.

Underwater sympathetic detonation of pellet explosive

NASA Astrophysics Data System (ADS)

Kubota, Shiro; Saburi, Tei; Nagayama, Kunihito

2017-06-01

The underwater sympathetic detonation of pellet explosives was taken by high-speed photography. The diameter and the thickness of the pellet were 20 and 10 mm, respectively. The experimental system consists of the precise electric detonator, two grams of composition C4 booster and three pellets, and these were set in water tank. High-speed video camera, HPV-X made by Shimadzu was used with 10 Mfs. The underwater explosions of the precise electric detonator, the C4 booster and a pellet were also taken by high-speed photography to estimate the propagation processes of the underwater shock waves. Numerical simulation of the underwater sympathetic detonation of the pellet explosives was also carried out and compared with experiment.

Polar boundary layer bromine explosion and ozone depletion events in the chemistry-climate model EMAC v2.52: implementation and evaluation of AirSnow algorithm

NASA Astrophysics Data System (ADS)

Falk, Stefanie; Sinnhuber, Björn-Martin

2018-03-01

Ozone depletion events (ODEs) in the polar boundary layer have been observed frequently during springtime. They are related to events of boundary layer enhancement of bromine. Consequently, increased amounts of boundary layer volume mixing ratio (VMR) and vertical column densities (VCDs) of BrO have been observed by in situ observation, ground-based as well as airborne remote sensing, and from satellites. These so-called bromine explosion (BE) events have been discussed serving as a source of tropospheric BrO at high latitudes, which has been underestimated in global models so far. We have implemented a treatment of bromine release and recycling on sea-ice- and snow-covered surfaces in the global chemistry-climate model EMAC (ECHAM/MESSy Atmospheric Chemistry) based on the scheme of Toyota et al. (2011). In this scheme, dry deposition fluxes of HBr, HOBr, and BrNO3 over ice- and snow-covered surfaces are recycled into Br2 fluxes. In addition, dry deposition of O3, dependent on temperature and sunlight, triggers a Br2 release from surfaces associated with first-year sea ice. Many aspects of observed bromine enhancements and associated episodes of near-complete depletion of boundary layer ozone, both in the Arctic and in the Antarctic, are reproduced by this relatively simple approach. We present first results from our global model studies extending over a full annual cycle, including comparisons with Global Ozone Monitoring Experiment (GOME) satellite BrO VCDs and surface ozone observations.

Summary of efficiency testing of standard and high-capacity high-efficiency particulate air filters subjected to simulated tornado depressurization and explosive shock waves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, P.R.; Gregory, W.S.

1985-04-01

Pressure transients in nuclear facility air cleaning systems can originate from natural phenomena such as tornadoes or from accident-induced explosive blast waves. This study was concerned with the effective efficiency of high-efficiency particulate air (HEPA) filters during pressure surges resulting from simulated tornado and explosion transients. The primary objective of the study was to examine filter efficiencies at pressure levels below the point of structural failure. Both standard and high-capacity 0.61-m by 0.61-m HEPA filters were evaluated, as were several 0.2-m by 0.2-m HEPA filters. For a particular manufacturer, the material release when subjected to tornado transients is the samemore » (per unit area) for both the 0.2-m by 0.2-m and the 0.61-m by 0.61-m filters. For tornado transients, the material release was on the order of micrograms per square meter. When subjecting clean HEPA filters to simulated tornado transients with aerosol entrained in the pressure pulse, all filters tested showed a degradation of filter efficiency. For explosive transients, the material release from preloaded high-capacity filters was as much as 340 g. When preloaded high-capacity filters were subjected to shock waves approximately 50% of the structural limit level, 1 to 2 mg of particulate was released.« less

Numerical modeling of the 1840s major eruption of η Carinae as an explosion

NASA Astrophysics Data System (ADS)

González, Ricardo F.

2018-01-01

In this paper, new two-dimensional hydrodynamical simulations of η Car's nebulae are performed. In the 1840s, the massive star η Car suffered a major eruption that resulted in the formation of a bipolar structure, which is commonly known as the large Homunculus. During this event, η Car expelled into the circumstellar material a total mass of 10 M⊙ and released a total energy of Ek 1050 erg over a very short time (≤5 yr). These kinds of explosive events are frequently called supernova impostors due to their resemblance to a type II supernova, but the stars survive the explosion. In the case of η Car, a brief explosion scenario provides a potential explanation for the behavior of the historical light curve of η Car a few years ( 10 yr) after the nineteenth century outburst. Here, such an alternative scenario of an explosion is assumed (instead of a super-Eddington wind) in order to investigate whether an explosive event is also able to explain the shape and kinematics of the large Homunculus. I show that the numerical simulations presented here indeed resemble some of the observed features of the nebula, such as the present-day double-shell structure of the Homunculus, with a thin outer dense shell and a thicker inner layer, as well as thermal instabilities (Rayleigh-Taylor and Kelvin-Helmholtz) along the dense shell that may lead to the current mottled appearance of the large Homunculus. Nonetheless, the explosion model for the 1840s major eruption of η Car is not able to account for the estimated age of the large Homunculus.

Position-adaptive explosive detection concepts for swarming micro-UAVs

NASA Astrophysics Data System (ADS)

Selmic, Rastko R.; Mitra, Atindra

2008-04-01

We have formulated a series of position-adaptive sensor concepts for explosive detection applications using swarms of micro-UAV's. These concepts are a generalization of position-adaptive radar concepts developed for challenging conditions such as urban environments. For radar applications, this concept is developed with platforms within a UAV swarm that spatially-adapt to signal leakage points on the perimeter of complex clutter environments to collect information on embedded objects-of-interest. The concept is generalized for additional sensors applications by, for example, considering a wooden cart that contains explosives. We can formulate system-of-systems concepts for a swarm of micro-UAV's in an effort to detect whether or not a given cart contains explosives. Under this new concept, some of the members of the UAV swarm can serve as position-adaptive "transmitters" by blowing air over the cart and some of the members of the UAV swarm can serve as position-adaptive "receivers" that are equipped with chem./bio sensors that function as "electronic noses". The final objective can be defined as improving the particle count for the explosives in the air that surrounds a cart via development of intelligent position-adaptive control algorithms in order to improve the detection and false-alarm statistics. We report on recent simulation results with regard to designing optimal sensor placement for explosive or other chemical agent detection. This type of information enables the development of intelligent control algorithms for UAV swarm applications and is intended for the design of future system-of-systems with adaptive intelligence for advanced surveillance of unknown regions. Results are reported as part of a parametric investigation where it is found that the probability of contaminant detection depends on the air flow that carries contaminant particles, geometry of the surrounding space, leakage areas, and other factors. We present a concept of position-adaptive detection (i.e. based on the example in the previous paragraph) consisting of position-adaptive fluid actuators (fans) and position-adaptive sensors. Based on these results, a preliminary analysis of sensor requirements for these fluid actuators and sensors is presented for small-UAVs in a field-enabled explosive detection environment. The computational fluid dynamics (CFD) simulation software Fluent is used to simulate the air flow in the corridor model containing a box with explosive particles. It is found that such flow is turbulent with Reynolds number greater than 106. Simulation methods and results are presented which show particle velocity and concentration distribution throughout the closed box. The results indicate that the CFD-based method can be used for other sensor placement and deployment optimization problems. These techniques and results can be applied towards the development of future system-of-system UAV swarms for defense, homeland defense, and security applications.

Integrated rheology model: Explosive Composition B-3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davis, Stephen M.; Zerkle, David K.; Smilowitz, Laura B.

Composition B-3 (Comp B-3) is a high explosive formulation composed of 60/40wt% RDX (1,3,5-trinitroperhydro-1,3,5-triazine) /TNT (2,4,6 trinitrotoluene). Above approximately 78°C this formulation partially melts to form a multiphase system with solid RDX particles in a molten TNT matrix. This multiphase system presents a number of phenomena that influence its apparent viscosity. In an earlier study explosive Composition B-3 (Comp B-3, 60/40wt% RDX/TNT) was examined for evidence of yield stress using a non-isothermal falling ball viscometer and a yield stress model was proposed in this paper. An integrated viscosity model suitable for use in computational fluid dynamics (CFD) simulations is developedmore » to capture the transition from a heterogeneous solid to a Bingham viscoplastic fluid. This viscosity model is used to simulate the motion of imbedded spheres falling through molten Comp B-3. Finally, comparison of the simulations to physical tests show agreement between the positions predicted by the model and the measured locations of the spheres as a function of temperature between 90C and 165C.« less

Integrated rheology model: Explosive Composition B-3

DOE PAGES

Davis, Stephen M.; Zerkle, David K.; Smilowitz, Laura B.; ...

2018-03-20

Composition B-3 (Comp B-3) is a high explosive formulation composed of 60/40wt% RDX (1,3,5-trinitroperhydro-1,3,5-triazine) /TNT (2,4,6 trinitrotoluene). Above approximately 78°C this formulation partially melts to form a multiphase system with solid RDX particles in a molten TNT matrix. This multiphase system presents a number of phenomena that influence its apparent viscosity. In an earlier study explosive Composition B-3 (Comp B-3, 60/40wt% RDX/TNT) was examined for evidence of yield stress using a non-isothermal falling ball viscometer and a yield stress model was proposed in this paper. An integrated viscosity model suitable for use in computational fluid dynamics (CFD) simulations is developedmore » to capture the transition from a heterogeneous solid to a Bingham viscoplastic fluid. This viscosity model is used to simulate the motion of imbedded spheres falling through molten Comp B-3. Finally, comparison of the simulations to physical tests show agreement between the positions predicted by the model and the measured locations of the spheres as a function of temperature between 90C and 165C.« less

On the generation of tangential ground motion by underground explosions in jointed rocks

NASA Astrophysics Data System (ADS)

Vorobiev, Oleg; Ezzedine, Souheil; Antoun, Tarabay; Glenn, Lewis

2015-03-01

This paper describes computational studies of tangential ground motions generated by spherical explosions in a heavily jointed granite formation. Various factors affecting the shear wave generation are considered, including joint spacing, orientation and frictional properties. Simulations are performed both in 2-D for a single joint set to elucidate the basic response mechanisms, and in 3-D for multiple joint sets to realistically represent in situ conditions in a realistic geological setting. The joints are modelled explicitly using both contact elements and weakness planes in the material. Simulations are performed both deterministically and stochastically to quantify the effects of geological uncertainties on near field ground motions. The mechanical properties of the rock and the joints as well as the joint spacing and orientation are taken from experimental test data and geophysical logs corresponding to the Climax Stock granitic outcrop, which is the geological setting of the source physics experiment (SPE). Agreement between simulation results and near field wave motion data from SPE enables newfound understanding of the origin and extent of non-spherical motions associated with underground explosions in fractured geological media.

Underwater explosive compaction-sintering of tungsten-copper coating on a copper surface

NASA Astrophysics Data System (ADS)

Chen, Xiang; Li, Xiaojie; Yan, Honghao; Wang, Xiaohong; Chen, Saiwei

2018-01-01

This study investigated underwater explosive compaction-sintering for coating a high-density tungsten-copper composite on a copper surface. First, 50% W-50% Cu tungsten-copper composite powder was prepared by mechanical alloying. The composite powder was pre-compacted and sintered by hydrogen. Underwater explosive compaction was carried out. Finally, a high-density tungsten-copper coating was obtained by diffusion sintering of the specimen after explosive compaction. A simulation of the underwater explosive compaction process showed that the peak value of the pressure in the coating was between 3.0 and 4.8 GPa. The hardness values of the tungsten-copper layer and the copper substrate were in the range of 87-133 and 49 HV, respectively. The bonding strength between the coating and the substrate was approximately 100-105 MPa.

Nanopowder synthesis based on electric explosion technology

NASA Astrophysics Data System (ADS)

Kryzhevich, D. S.; Zolnikov, K. P.; Korchuganov, A. V.; Psakhie, S. G.

2017-10-01

A computer simulation of the bicomponent nanoparticle formation during the electric explosion of copper and nickel wires was carried out. The calculations were performed in the framework of the molecular dynamics method using many-body potentials of interatomic interaction. As a result of an electric explosion of dissimilar metal wires, bicomponent nanoparticles having different stoichiometry and a block structure can be formed. It is possible to control the process of destruction and the structure of the formed bicomponent nanoparticles by varying the distance between the wires and the loading parameters.

Design and analysis of a personnel blast shield for different explosives applications

NASA Astrophysics Data System (ADS)

Lozano, Eduardo

The use of explosives brings countless benefits to our everyday lives in areas such as mining, oil and gas exploration, demolition, and avalanche control. However, because of the potential destructive power of explosives, strict safety procedures must be an integral part of any explosives operation. The goal of this work is to provide a solution to protect against the hazards that accompany the general use of explosives, specifically in avalanche control. For this reason, a blast shield was designed and tested to protect the Colorado Department of Transportation personnel against these unpredictable effects. This document will develop a complete analysis to answer the following questions: what are the potential hazards from the detonation of high explosives, what are their effects, and how can we protect ourselves against them. To answer these questions theoretical, analytical, and numerical calculations were performed. Finally, a full blast shield prototype was tested under different simulated operational environments proving its effectiveness as safety device. The Colorado Department of Transportation currently owns more than fifteen shields that are used during every operation involving explosive materials.

Attitudes toward a Simulation Based Chemistry Curriculum for Nursing Students.

ERIC Educational Resources Information Center

Dori, Yehudit

Chemistry anxiety exists among nursing students as well as other allied health professions. The causes for this anxiety may be attributed to three variables. Chemistry: (1) is perceived as difficult; (2) involves a multitude of facts; and (3) is not connected to reality. A curriculum with a simulation format has been developed to help Israeli…

Pedagogy-Based-Technology and Chemistry Students' Performance in Higher Institutions: A Case of Debre Berhan University

ERIC Educational Resources Information Center

Demissie, Tesfaye; Ochonogor, Chukunoye E.; Engida, Temechegn

2011-01-01

Many students have difficulty in learning abstract and complex lessons of chemistry. This study investigated how students develop their understandings of abstract and complex lessons in chemistry with the aid of visualizing tools: animation, simulation and video that allow them to build clear concepts. Animation, simulation and video enable…

Contribution of explosion and future collision fragments to the orbital debris environment

NASA Technical Reports Server (NTRS)

Su, S.-Y.; Kessler, D. J.

1985-01-01

The time evolution of the near-earth man-made orbital debris environment modeled by numerical simulation is presented in this paper. The model starts with a data base of orbital debris objects which are tracked by the NORAD ground radar system. The current untrackable small objects are assumed to result from explosions and are predicted from data collected from a ground explosion experiment. Future collisions between earth orbiting objects are handled by the Monte Carlo method to simulate the range of collision possibilities that may occur in the real world. The collision fragmentation process between debris objects is calculated using an empirical formula derived from a laboratory spacecraft impact experiment to obtain the number versus size distribution of the newly generated debris population. The evolution of the future space debris environment is compared with the natural meteoroid background for the relative spacecraft penetration hazard.

Three-dimensional simulations of rapidly rotating core-collapse supernovae: finding a neutrino-powered explosion aided by non-axisymmetric flows

NASA Astrophysics Data System (ADS)

Takiwaki, Tomoya; Kotake, Kei; Suwa, Yudai

2016-09-01

We report results from a series of three-dimensional (3D) rotational core-collapse simulations for 11.2 and 27 M⊙ stars employing neutrino transport scheme by the isotropic diffusion source approximation. By changing the initial strength of rotation systematically, we find a rotation-assisted explosion for the 27 M⊙ progenitor , which fails in the absence of rotation. The unique feature was not captured in previous two-dimensional (2D) self-consistent rotating models because the growing non-axisymmetric instabilities play a key role. In the rapidly rotating case, strong spiral flows generated by the so-called low T/|W| instability enhance the energy transport from the proto-neutron star (PNS) to the gain region, which makes the shock expansion more energetic. The explosion occurs more strongly in the direction perpendicular to the rotational axis, which is different from previous 2D predictions.

Numerical simulation of Composition B high explosive charge desensitization in gap test assembly after loading by precursor wave

NASA Astrophysics Data System (ADS)

Balagansky, I. A.; Stepanov, A. A.

2016-03-01

Results of numerical research into the desensitization of high explosive charges in water gap test-based experimental assemblies are presented. The experimental data are discussed, and the analysis using ANSYS AUTODYN 14.5 is provided. The desensitization phenomenon is well reproduced in numerical simulation using the JWL EOS and the Lee-Tarver kinetic equation for modeling of the initiation of heterogeneous high explosives with as well as without shock front waves. The analysis of the wave processes occurring during the initiation of the acceptor HE charge has been carried out. Peculiarities of the wave processes in the water gap test assemblies, which can influence the results of sensitivity measurement, have been studied. In particular, it has been established that precursor waves in the walls of the gap test assemblies can influence the detonation transmission distance.

Quantum chemistry simulation on quantum computers: theories and experiments.

PubMed

Lu, Dawei; Xu, Boruo; Xu, Nanyang; Li, Zhaokai; Chen, Hongwei; Peng, Xinhua; Xu, Ruixue; Du, Jiangfeng

2012-07-14

It has been claimed that quantum computers can mimic quantum systems efficiently in the polynomial scale. Traditionally, those simulations are carried out numerically on classical computers, which are inevitably confronted with the exponential growth of required resources, with the increasing size of quantum systems. Quantum computers avoid this problem, and thus provide a possible solution for large quantum systems. In this paper, we first discuss the ideas of quantum simulation, the background of quantum simulators, their categories, and the development in both theories and experiments. We then present a brief introduction to quantum chemistry evaluated via classical computers followed by typical procedures of quantum simulation towards quantum chemistry. Reviewed are not only theoretical proposals but also proof-of-principle experimental implementations, via a small quantum computer, which include the evaluation of the static molecular eigenenergy and the simulation of chemical reaction dynamics. Although the experimental development is still behind the theory, we give prospects and suggestions for future experiments. We anticipate that in the near future quantum simulation will become a powerful tool for quantum chemistry over classical computations.

Violent Explosive Eruptions in the Ararat Valley, Armenia and Associated Volcanic Hazards

NASA Astrophysics Data System (ADS)

Meliksetian, Khachatur; Savov, Ivan; Connor, Charles; Gevorgyan, Hripsime; Connor, Laura; Navasardyan, Gevorg; Manucharyan, Davit; Jrbashyan, Ruben; Ghukasyan, Yura

2016-04-01

The Anatolian-Armenian-Iranian volcanically active orogenic plateau is located in the collision zone between the Arabian and Eurasian plates. The majority of regional geodynamic and petrologic models of collision-related magmatism use the model proposed by Keskin (2003), where volcanism is driven by Neo-Tethyan slab break-off, however an updated model by Neill et al. (2015) and Skolbeltsyn et al.(2014) comprise break-off of two slabs. One of the significant (and understudied) features of the regionally extensive collision zone volcanism is the diversity of eruption styles and also the presence of large number of highly explosive (Plinian) eruptions with VEI≥5 during the Middle-Upper Pleistocene. Geological records of the Ararat depression include several generations of thick low aspect ratio Quaternary ignimbrites erupted from Aragats volcano, as well as up to 3 m thick ash and pumice fall deposit from the Holocene-historically active Ararat volcano. The Ararat tephra fall deposit is studied at 12 newly discovered outcrops covering an area ˜1000 km2. It is noteworthy, that the Ararat tephra deposits are loose and unwelded and observed only in cross-sections in small depressions or in areas where they were rapidly covered by younger, colluvium deposits, presumably of Holocene age. Therefore, the spatial extent of the explosive deposits of Ararat is much bigger but not well preserved due to rapid erosion. Whole rock elemental, isotope (Sr, Nd) and mineral chemistry data demonstrate significant difference in the magma sources of the large Aragats and Ararat stratovolcanoes. Lavas and pyroclastic products of Aragats are high K calc-alkaline, and nearly always deprived from H2O rich phases such as amphibole. In contrasts lavas and pyroclastic products from Ararat are medium K calc-alkaline and volatile-rich (>4.6 wt% H2O and amphibole bearing) magmas. Here we shall attempt to reveal possible geochemical triggers of explosive eruptions in these volcanoes and assess volcanic hazards for the region of Ararat valley based on numerical simulations. Our work is important as Ararat Valley host the capital city of Yerevan (population ˜ 1.4 million) and also the currently operating Armenian Nuclear Power Plant at Metsamor. References Keskin,2003. GRL 30, 1-4; Neill et al., 2015 Chemical Geology, 403, p. 24-41; Skolbeltsyn et al. 2014. Tectonics 33, 207-221.

Simulation Study on the Deflection Response of the 921A Steel thin plate under Explosive Impact Load

NASA Astrophysics Data System (ADS)

Zhang, Yu-Xiang; Chen, Fang; Han, Yan

2018-03-01

The Ship cabin would be subject to high-intensity shock wave load when it is attacked by anti-ship weapons, causing its side board damaged. The time course of the deflection of the thin plate made of 921A steel in different initial conditions under the impact load is researched by theoretical analysis and numerical simulation. According to the theory of elastic-plastic deformation of the thin plate, the dynamic response equation of the thin plate under the explosion impact load is established with the method of energy, and the theoretical calculation value is compared with the result from the simulation method. It proved that the theoretical calculation method has better reliability and accuracy in different boundary size.

Shock Initiation Characteristics of an Aluminized DNAN/RDX Melt-Cast Explosive

NASA Astrophysics Data System (ADS)

Cao, Tong-Tang; Zhou, Lin; Zhang, Xiang-Rong; Zhang, Wei; Miao, Fei-Chao

2017-10-01

Shock sensitivity is one of the key parameters for newly developed, 2,4-dinitroanisole (DNAN)-based, melt-cast explosives. For this paper, a series of shock initiation experiments were conducted using a one-dimensional Lagrangian system with a manganin piezoresistive pressure gauge technique to evaluate the shock sensitivity of an aluminized DNAN/cyclotrimethylenetrinitramine (RDX) melt-cast explosive. This study fully investigated the effects of particle size distributions in both RDX and aluminum, as well as the RDX's crystal quality on the shock sensitivity of the aluminized DNAN/RDX melt-cast explosive. Ultimately, the shock sensitivity of the aluminized DNAN/RDX melt-cast explosives increases when the particle size decreases in both RDX and aluminum. Additionally, shock sensitivity increases when the RDX's crystal quality decreases. In order to simulate these effects, an Ignition and Growth (I&G) reactive flow model was calibrated. This calibrated I&G model was able to predict the shock initiation characteristics of the aluminized DNAN/RDX melt-cast explosive.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sollier, A., E-mail: arnaud.sollier@cea.fr; Bouyer, V.; Hébert, P.

We present detonation wave profiles measured in T2 (97 wt. % TATB) and TX1 (52 wt. % TATB and 45 wt. % HMX) high explosives. The experiments consisted in initiating a detonation wave in a 15 mm diameter cylinder of explosive using an explosive wire detonator and an explosive booster. Free surface velocity wave profiles were measured at the explosive/air interface using a Photon Doppler Velocimetry system. We demonstrate that a comparison of these free surface wave profiles with those measured at explosive/window interfaces in similar conditions allows to bracket the von Neumann spike in a narrow range. For T2, our measurements show that the spike pressuremore » lies between 35.9 and 40.1 GPa, whereas for TX1, it lies between 42.3 and 47.0 GPa. The numerical simulations performed in support to these measurements show that they can be used to calibrate reactive burn models and also to check the accuracy of the detonation products equation of state at low pressure.« less

Can North Korean Nuclear Explosions Stir Baekdu (Changbai) Volcano to be Erupted?

NASA Astrophysics Data System (ADS)

Hong, T. K.; Choi, E.; Park, S.; Shin, J. S.

2015-12-01

Potential volcanic eruption in Mt. Baekdu (Changbai) hasbeen a long-lasting concern in the far-eastern Asia.There were several explosive eruptions historically. Themost recent eruption was made in 1903. The eruption in969 is believed to be the most violent with volcanicexplosivity index of 7. The volcano is located in ~130 kmaway from the North Korean nuclear explosion test sitewhere three moderate-size nuclear explosions withmagnitudes of 4.3, 4.7 and 5.1 were conducted in 2006,2009 and 2013. There is increasing concern that a largenuclear explosion may trigger volcanic eruption. Seismicwaveforms are subtle to vary with the crustal structure.The strong ground motions generated by a potential largenuclear explosion are difficult to be simulated forvolcanic regions where complex crustal structures areexpected. We calculate the ground motions by hypotheticallarge nuclear explosions using a nuclear-explosion sourcemodel and the seismic waveforms of prior nuclearexplosions. The validity of the method is examined bycomparing the observed and quasi-synthetic seismicwaveforms of prior nuclear explosions. The peak groundaccelerations (PGA) around the volcano are estimated froma PGA attenuation equation that was determined based onseismic waveforms from natural earthquakes. Thehorizontal and vertical PGAs by an M7.0 undergroundnuclear explosion are expected to reach 0.14 and 0.11m/s2 at the volcano, inducing a dynamic stress in themagma chamber. The induced pressure change in the magmachamber is verified by numerical modeling of dynamicstress changes.

Multiphase flow modeling and simulation of explosive volcanic eruptions

NASA Astrophysics Data System (ADS)

Neri, Augusto

Recent worldwide volcanic activity, such as eruptions at Mt. St. Helens, Washington, in 1980, Mt. Pinatubo, Philippines, in 1991, as well as the ongoing eruption at Montserrat, West Indies, highlighted again the complex nature of explosive volcanic eruptions as well as the tremendous risk associated to them. In the year 2000, about 500 million people are expected to live under the shadow of an active volcano. The understanding of pyroclastic dispersion processes produced by explosive eruptions is, therefore, of primary interest, not only from the scientific point of view, but also for the huge worldwide risk associated with them. The thesis deals with an interdisciplinary research aimed at the modeling and simulation of explosive volcanic eruptions by using multiphase thermo-fluid-dynamic models. The first part of the work was dedicated to the understanding and validation of recently developed kinetic theory of two-phase flow. The hydrodynamics of fluid catalytic cracking particles in the IIT riser were simulated and compared with lab experiments. Simulation results confirm the validity of the kinetic theory approach. Transport of solids in the riser is due to dense clusters. On a time-average basis the bottom of the riser and the walls are dense, in agreement with IIT experimental data. The low frequency of oscillation (about 0.2 Hz) is also in agreement with data. The second part of the work was devoted to the development of transient two-dimensional multiphase and multicomponent flow models of pyroclastic dispersion processes. In particular, the dynamics of ground-hugging high-speed and high-temperature pyroclastic flows generated by the collapse of volcanic columns or by impulsive discrete explosions, was investigated. The model accounts for the mechanical and thermal non-equilibrium between a multicomponent gas phase and N different solid phases representative of pyroclastic particles of different sizes. Pyroclastic dispersion dynamics describes the formation of the initial vertical jet, the column collapse, and the building of the pyroclastic fountain, followed by the generation of radially spreading pyroclastic flows. The development of thermal convective instabilities in the flow lead to the formation of co-ignimbritic or phoenix clouds. Simulation results strongly highlight the importance of the multiphase flow formulation of the mixture. Large particles tend to segregate and sediment along the ground, whereas fine particles tend to form ascending buoyant plumes. Mixtures rich in fine grained particles produce larger runout of the flow and larger ascending plumes than mixtures rich in coarse particles. Simulation results appear to be qualitatively in agreement with field observations, but require to be fully validated by the simulation of well-known test cases.

Detection of vehicle-based improvised explosives using ultra-trace detection equipment

NASA Astrophysics Data System (ADS)

Fisher, Mark; Sikes, John; Prather, Mark; Wichert, Clint

2005-05-01

Vehicle-borne improvised explosive devices (VBIEDs) have become the weapon of choice for insurgents in Iraq. At the same time, these devices are becoming increasingly sophisticated and effective. VBIEDs can be difficult to detect during visual inspection of vehicles. This is especially true when explosives have been hidden behind a vehicle"s panels, inside seat cushions, under floorboards, or behind cargo. Even though the explosive may not be visible, vapors of explosive emanating from the device are often present in the vehicle, but the current generation of trace detection equipment has not been sensitive enough to detect these low concentrations of vapor. This paper presents initial test results using the Nomadics Fido sensor for detection of VBIEDs. The sensor is a small, explosives detector with unprecedented levels of sensitivity for detection of nitroaromatic explosives. Fido utilizes fluorescence quenching of novel polymer materials to detect traces of explosive vapor emanating from targets containing explosives. These materials, developed by collaborators at the Massachusetts Institute of Technology (MIT), amplify the quenching response that occurs when molecules of explosive bind to films of the polymer. These materials have enabled development of sensors with performance approaching that of canines trained to detect explosives. The ability of the sensor to detect explosives in vehicles and on persons who have recently been in close proximity to explosives has recently been demonstrated. In these tests, simulated targets were quickly and easily detected using a Fido sensor in conjunction with both direct vapor and swipe sampling methods. The results of these tests suggest that chemical vapor sensing has utility as a means of screening vehicles for explosives at checkpoints and on patrols.

JPRS Report Science & Technology USSR: Chemistry

DTIC Science & Technology

1991-08-29

EXPLOSIVES Cryostatic Problems at Temperatures Below 2 K. Part 2. Analysis of Principal Refrigerator Designs //. F. Kuzmenko; KHIMICHESKOYEINEFTYANOYE...VOLOKNA, No 1, Jan 91] 24 Eperimental Method for Evaluating Quality of Core-Shell Interface in Polymeric Light Conductors [M. A. Maryukov...No 3, Mar 91 pp 178-179 [Article by Yu. S. Ivchenko] UDC 66.023.002.237:66.063.8 [Abstract] An attempt was made to design a universal apparatus

Surface Chemistry of a Microcoated Energetic Material, Pentaerythritoltetranitrate (PETN)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Worley, C.M.; Vannet, M.D.; Ball, G.L.

1987-01-01

A microcoating technique was used to apply a polymer to an energetic explosive material. The explosive was pentaerythritoltetranitrate (PETN), and the coating was a copolymer consisting of vinylchloride/trifluorochloroethylene in a 1.5/1.0 molecular ratio. X-ray photoelectron spectroscopy (XPS) and ion scattering spectroscopy (ISS) were used to study the surface and interfacial chemistry of PETN powders and pellets made from compressed powders having either 0.5 or 20 wt% coating. Two simple models were used to discuss the nature of the copolymer film on the PETN. Model I shows the copolymer completely coating PETN; Model II depicts the copolymer as only partially coveringmore » PETN. Model II was applicable in explaining the 0.5 and 20 wt% microcoating of powders, as well as the 0.5 wt% coated pellets. However, the pellets with 20 wt% coating showed the copolymer to completely coat PETN (Model I), suggesting copolymer redistribution during pelletization. XPS and ISS results showed the copolymer film to be thin. An XPS expression modified to accommodate ISS data was developed for the calculation of the average copolymer thickness of PETN. The thicknesses were determined to be 10 {angstrom} and 6 {angstrom} for 0.5 wt% coated PETN powders and pellets, respectively. Bonding between the copolymer and PETN was concluded to be mechanical.« less

Characteristics of a plasma flow field produced by a metal array bridge foil explosion

NASA Astrophysics Data System (ADS)

Junying, WU; Long, WANG; Yase, LI; Lijun, YANG; Manzoor, SULTAN; Lang, CHEN

2018-07-01

To improve the energy utilization efficiency of metal bridge foil explosion, and increase the function range of plasmas, array bridge foil explosion experiments with different structures were performed. A Schlieren photographic measurement system with a double-pulse laser source was used to observe the flow field of a bridge foil explosion. The evolution laws of plasmas and shock waves generated by array bridge foil explosions of different structures were analyzed and compared. A multi-phase flow calculation model was established to simulate the electrical exploding process of a metal bridge foil. The plasma equation of state was determined by considering the effect of the changing number of particles and Coulomb interaction on the pressure and internal energy. The ionization degree of the plasma was calculated via the Saha–Eggert equation assuming conditions of local thermal equilibrium. The exploding process of array bridge foils was simulated, and the superposition processes of plasma beams were analyzed. The variation and distribution laws of the density, temperature, pressure, and other important parameters were obtained. The results show that the array bridge foil has a larger plasma jet diameter than the single bridge foil for an equal total area of the bridge foil. We also found that the temperature, pressure, and density of the plasma jet’s center region sharply increase because of the superposition of plasma beams.

Explosive magnetic reconnection caused by an X-shaped current-vortex layer in a collisionless plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hirota, M.; Hattori, Y.; Morrison, P. J.

2015-05-15

A mechanism for explosive magnetic reconnection is investigated by analyzing the nonlinear evolution of a collisionless tearing mode in a two-fluid model that includes the effects of electron inertia and temperature. These effects cooperatively enable a fast reconnection by forming an X-shaped current-vortex layer centered at the reconnection point. A high-resolution simulation of this model for an unprecedentedly small electron skin depth d{sub e} and ion-sound gyroradius ρ{sub s}, satisfying d{sub e}=ρ{sub s}, shows an explosive tendency for nonlinear growth of the tearing mode, where it is newly found that the explosive widening of the X-shaped layer occurs locally aroundmore » the reconnection point with the length of the X shape being shorter than the domain length and the wavelength of the linear tearing mode. The reason for the onset of this locally enhanced reconnection is explained theoretically by developing a novel nonlinear and nonequilibrium inner solution that models the local X-shaped layer, and then matching it to an outer solution that is approximated by a linear tearing eigenmode with a shorter wavelength than the domain length. This theoretical model proves that the local reconnection can release the magnetic energy more efficiently than the global one and the estimated scaling of the explosive growth rate agrees well with the simulation results.« less

Progenitor-dependent Explosion Dynamics in Self-consistent, Axisymmetric Simulations of Neutrino-driven Core-collapse Supernovae

NASA Astrophysics Data System (ADS)

Summa, Alexander; Hanke, Florian; Janka, Hans-Thomas; Melson, Tobias; Marek, Andreas; Müller, Bernhard

2016-07-01

We present self-consistent, axisymmetric core-collapse supernova simulations performed with the Prometheus-Vertex code for 18 pre-supernova models in the range of 11-28 M ⊙, including progenitors recently investigated by other groups. All models develop explosions, but depending on the progenitor structure, they can be divided into two classes. With a steep density decline at the Si/Si-O interface, the arrival of this interface at the shock front leads to a sudden drop of the mass-accretion rate, triggering a rapid approach to explosion. With a more gradually decreasing accretion rate, it takes longer for the neutrino heating to overcome the accretion ram pressure and explosions set in later. Early explosions are facilitated by high mass-accretion rates after bounce and correspondingly high neutrino luminosities combined with a pronounced drop of the accretion rate and ram pressure at the Si/Si-O interface. Because of rapidly shrinking neutron star radii and receding shock fronts after the passage through their maxima, our models exhibit short advection timescales, which favor the efficient growth of the standing accretion-shock instability. The latter plays a supportive role at least for the initiation of the re-expansion of the stalled shock before runaway. Taking into account the effects of turbulent pressure in the gain layer, we derive a generalized condition for the critical neutrino luminosity that captures the explosion behavior of all models very well. We validate the robustness of our findings by testing the influence of stochasticity, numerical resolution, and approximations in some aspects of the microphysics.

Low-energy Population III supernovae and the origin of extremely metal-poor stars

NASA Astrophysics Data System (ADS)

Chen, Ke-Jung; Heger, Alexander; Whalen, Daniel J.; Moriya, Takashi J.; Bromm, Volker; Woosley, S. E.

2017-06-01

Some ancient, dim, metal-poor stars may have formed in the ashes of the first supernovae (SNe). If their chemical abundances can be reconciled with the elemental yields of specific Population III (Pop III) explosions, they could reveal the properties of primordial stars. But multidimensional simulations of such explosions are required to predict their yields because dynamical instabilities can dredge material up from deep in the ejecta that would otherwise be predicted to fall back on to the central remnant and be lost in one-dimensional (1D) models. We have performed two-dimensional (2D) numerical simulations of two low-energy Pop III SNe, a 12.4 M⊙ explosion and a 60 M⊙ explosion, and find that they produce elemental yields that are a good fit to those measured in the most iron-poor star discovered to date, SMSS J031300.36-670839.3 (J031300). Fallback on to the compact remnant in these weak explosions accounts for the lack of measurable iron in J031300 and its low iron-group abundances in general. Our 2D explosions produce higher abundances of heavy elements (atomic number Z > 20) than their 1D counterparts due to dredge-up by fluid instabilities. Since almost no 56Ni is ejected by these weak SNe, their low luminosities will prevent their detection in the near-infrared with the James Webb Space Telescope and future 30-m telescopes on the ground. The only evidence that they ever occurred will be in the fossil abundance record.

PROGENITOR-DEPENDENT EXPLOSION DYNAMICS IN SELF-CONSISTENT, AXISYMMETRIC SIMULATIONS OF NEUTRINO-DRIVEN CORE-COLLAPSE SUPERNOVAE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Summa, Alexander; Hanke, Florian; Janka, Hans-Thomas

We present self-consistent, axisymmetric core-collapse supernova simulations performed with the Prometheus-Vertex code for 18 pre-supernova models in the range of 11–28 M {sub ⊙}, including progenitors recently investigated by other groups. All models develop explosions, but depending on the progenitor structure, they can be divided into two classes. With a steep density decline at the Si/Si–O interface, the arrival of this interface at the shock front leads to a sudden drop of the mass-accretion rate, triggering a rapid approach to explosion. With a more gradually decreasing accretion rate, it takes longer for the neutrino heating to overcome the accretion rammore » pressure and explosions set in later. Early explosions are facilitated by high mass-accretion rates after bounce and correspondingly high neutrino luminosities combined with a pronounced drop of the accretion rate and ram pressure at the Si/Si–O interface. Because of rapidly shrinking neutron star radii and receding shock fronts after the passage through their maxima, our models exhibit short advection timescales, which favor the efficient growth of the standing accretion-shock instability. The latter plays a supportive role at least for the initiation of the re-expansion of the stalled shock before runaway. Taking into account the effects of turbulent pressure in the gain layer, we derive a generalized condition for the critical neutrino luminosity that captures the explosion behavior of all models very well. We validate the robustness of our findings by testing the influence of stochasticity, numerical resolution, and approximations in some aspects of the microphysics.« less

Simulations in a Science and Society Course.

ERIC Educational Resources Information Center

Maier, Mark H.; Venanzi, Thomas

1984-01-01

Provides a course outline which includes simulation exercises designed as in-class activities related to science and society interactions. Simulations focus on the IQ debate, sociobiology, nuclear weapons and nulcear strategy, nuclear power and radiation, computer explosion, and cosmology. Indicates that learning improves when students take active…

Fuel-Air Explosive Simulation of Far-Field Nuclear Airblasts.

DTIC Science & Technology

1979-12-31

Blastwave Simulator," Sixieme Symposium International sur Les A19 plications Militaires de La Simulation de Souffle, Centre D’Etudes de Gramat , Gramat ... Gramat , Gramat , France, p. 4.2.1, June 1979. 207 7............................. 64. Cooperwaithe, M. and Zwisler, W. H., "TIGER Computer Program

NASA missions studies magnetic space explosions

NASA Image and Video Library

2017-12-08

Every day, invisible magnetic explosions are happening around Earth, on the surface of the sun and across the universe. These explosions, known as magnetic reconnection, occur when magnetic field lines cross, releasing stored magnetic energy. Such explosions are a key way that clouds of charged particles — plasmas — are accelerated throughout the universe. In Earth’s magnetosphere — the giant magnetic bubble surrounding our planet — these magnetic reconnections can fling charged particles toward Earth, triggering auroras. Read more: go.nasa.gov/2mnMtDm Video caption - In this simulation, a reconnection even pushes a blob of plasma toward Earth. The jet blown in the opposite direction wobbles due to the unstable conditions. Credit: NASA’s Goddard Space Flight Center/Yi-Hsin Liu/Joy Ng, producer

High-Speed Photography of Detonation Propagation in Dynamically Precompressed Liquid Explosives

NASA Astrophysics Data System (ADS)

Petel, Oren; Higgins, Andrew; Yoshinaka, Akio; Zhang, Fan

2007-06-01

The propagation of detonation in shock compressed nitromethane was observed with a high speed framing camera. The test explosive, nitromethane, was compressed by a reverberating shock wave to pressures on the order of 10 GPa prior to being detonated by a secondary detonation event. The pressure and density in the test explosive prior to detonation was determined using two methods: manganin strain gauge measurements and LS-DYNA simulations. The velocity of the detonation front was determined from consecutive frames and correlated to the density of the explosive post-reverberating shock wave and prior to being detonated. Observing detonation propagation under these non-ambient conditions provides data which can be useful in the validation of equation of state models.

The Use of Online Modules and the Effect on Student Outcomes in a High School Chemistry Class

ERIC Educational Resources Information Center

Lamb, Richard L.; Annetta, Len

2013-01-01

The purpose of the study was to review the efficacy of online chemistry simulations in a high school chemistry class and provide discussion of the factors that may affect student learning. The sample consisted of 351 high school students exposed to online simulations. Researchers administered a pretest, intermediate test and posttest to measure…

Dynamics of vapor emissions at wire explosion thresholda)

NASA Astrophysics Data System (ADS)

Belony, Paul A.; Kim, Yong W.

2010-10-01

X-pinch plasmas have been actively studied in the recent years. Numerical simulation of the ramp-up of metallic vapor emissions from wire specimens shows that under impulsive Ohmic heating the wire core invariably reaches a supercritical state before explosion. The heating rate depends sensitively on the local wire resistance, leading to highly variable vapor emission flux along the wire. To examine the vapor emission process, we have visualized nickel wire explosions by means of shock formation in air. In a single explosion as captured by shadowgraphy, there usually appear several shocks with spherical or cylindrical wave front originating from different parts of the wire. Growth of various shock fronts in time is well characterized by a power-law scaling in one form or another. Continuum emission spectra are obtained and calibrated to measure temperature near the explosion threshold. Shock front structures and vapor plume temperature are examined.

Laminography using resonant neutron attenuation for detection of drugs and explosives

NASA Astrophysics Data System (ADS)

Loveman, R. A.; Feinstein, R. L.; Bendahan, J.; Gozani, T.; Shea, P.

1997-02-01

Resonant neutron attenuation has been shown to be usable for assaying elements which constitute explosives, cocaine, and heroin. By careful analysis of attenuation measurements, the determination of the presence or absence of explosives can be determined. Simple two dimensional radiographic techniques only give results for areal density and consequently will be limited in their effectiveness. Classical tomographic techniques are both computationally very intensive and place strict requirements on the quality and amount of data acquired. These requirements and computations take time and are likely to be very difficult to perform in real time. Simulation studies described in this article have shown that laminographic image reconstruction can be used effectively with resonant neutron attenuation measurements to interrogate luggage for explosives or drugs. The design of the system described in this article is capable of pseudo-three dimensional image reconstruction of all of the elemental densities pertinent to explosive and drug detection.

Computer simulation of metal wire explosion under high rate heating

NASA Astrophysics Data System (ADS)

Zolnikov, K. P.; Kryzhevich, D. S.; Korchuganov, A. V.

2017-05-01

Synchronous electric explosion of metal wires and synthesis of bicomponent nanoparticles were investigated on the base of molecular dynamics method. Copper and nickel nanosized crystallites of cylindrical shape were chosen as conductors for explosion. The embedded atom approximation was used for calculation of the interatomic interactions. The agglomeration process after explosion metal wires was the main mechanism for particle synthesis. The distribution of chemical elements was non-uniform over the cross section of the bicomponent particles. The copper concentration in the surface region was higher than in the bulk of the synthesized particle. By varying the loading parameters (heating temperature, the distance between the wires) one can control the size and internal structure of the synthesized bicomponent nanoparticles. The obtained results showed that the method of molecular dynamics can be effectively used to determine the optimal technological mode of nanoparticle synthesis on the base of electric explosion of metal wires.

Properties of convective oxygen and silicon burning shells in supernova progenitors

NASA Astrophysics Data System (ADS)

Collins, Christine; Müller, Bernhard; Heger, Alexander

2018-01-01

Recent 3D simulations have suggested that convective seed perturbations from shell burning can play an important role in triggering neutrino-driven supernova explosions. Since isolated simulations cannot determine whether this perturbation-aided mechanism is of general relevance across the progenitor mass range, we here investigate the pertinent properties of convective oxygen and silicon burning shells in a broad range of pre-supernova stellar evolution models. We find that conditions for perturbation-aided explosions are most favourable in the extended oxygen shells of progenitors between about 16 and 26 solar masses, which exhibit large-scale convective overturn with high convective Mach numbers. Although the highest convective Mach numbers of up to 0.3 are reached in the oxygen shells of low-mass progenitors, convection is typically dominated by small-scale modes in these shells, which implies a more modest role of initial perturbations in the explosion mechanism. Convective silicon burning rarely provides the high Mach numbers and large-scale perturbations required for perturbation-aided explosions. We also find that about 40 per cent of progenitors between 16 and 26 solar masses exhibit simultaneous oxygen and neon burning in the same convection zone as a result of a shell merger shortly before collapse.

Determination of Quantum Chemistry Based Force Fields for Molecular Dynamics Simulations of Aromatic Polymers

NASA Technical Reports Server (NTRS)

Jaffe, Richard; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

Ab initio quantum chemistry calculations for model molecules can be used to parameterize force fields for molecular dynamics simulations of polymers. Emphasis in our research group is on using quantum chemistry-based force fields for molecular dynamics simulations of organic polymers in the melt and glassy states, but the methodology is applicable to simulations of small molecules, multicomponent systems and solutions. Special attention is paid to deriving reliable descriptions of the non-bonded and electrostatic interactions. Several procedures have been developed for deriving and calibrating these parameters. Our force fields for aromatic polyimide simulations will be described. In this application, the intermolecular interactions are the critical factor in determining many properties of the polymer (including its color).

A systematic study of the explosion energy issue in core collapse supernova theory

NASA Astrophysics Data System (ADS)

Yamamoto, Yu

2016-06-01

Massive stars with main sequence masses greater than 8 solar mass (Msun) the main target of CCSNe researches. According to initial mass function (IMF) they occupy about 15As a matter of fact, supernova theorists have failed to reproduce this energetic stellar explosion for about a half century because micro and macro physics are highly complex and are mutual influenced. The theoretical investigation of the explosion mechanism is based on numerical simulations, which will ultimately require computational sources of exsa scales. With recent remarkable developments both in hardware and software, however, more realistic physics are incorporated and research group are beginning to overcome the difficulties, reporting successful explosions in their numerical models. The successful is still partial, unfortunately, since in the most of the cases the explosion energy hardly reaches the typical value (10^51erg). What is worse other groups found no explosion for almost same setups. The robust explosion mechanism has not yet been ascertained and is still a remaining issue. The purpose of this paper is to study how far our understanding of "neutrino heating mechanism", the current paradigm, has reached, or put another way, to expose what kind of physics are still missing to explain observations , such as explosion energy and nickel mass. As already remarked the physics in CCSNe are quite complicated with extremely high Reynolds number, highly uncertain equation of state (EOS) at supra-nuclear densities, copious neutrinos not in thermal nor chemical equilibrium with matter normally. I believe that it is justified to devote a somewhat large number of pages to the introduction. It will be also helpful for understanding the motivation of this paper. Starting with evidence from supernova light curves I will then move to the basics idea of neutrino heating mechanism and summarize some recent developments in various micro and macro physics. Key factors in the theory of massive-star evolutions are also illuminated in the introduction. Other important ingredients that are not directly related with the thesis, such as numerical treatments of neutrino transport, are given in appendices. To find the missing pieces of the current CCSNe theory, I employed an experimental way instead of running "realistic" simulations. In fact, I conducted experimental computations systematically so as to reveal (1) what is the necessary condition of the canonical explosion energy (2) what is the dominant contribution to the explosion energy (3) when the explosion energy is settled to the final value, and, finally, (4) features in pre-explosion structure of the progenitor are critical for the explosion energy. In this paper I paid particular attention to nuclear energies released in association with the production of various elements up to A 56, which are likely to contribute to the energetics of CCSNe. I performed multi-dimension hydrodynamic simulations that can also handle the evolution of elements in both nuclear statistical equilibrium (NSE) and non-equilibrium, taking particular care of transition from one to the other. We take a multi-step strategy: collapse, shock revival and the subsequent evolution until the settlement of explosion energy are treated separately and consecutively; the collapse phase is calculated under spherical symmetry to obtain mass accretion histories for different progenitors; in so doing, the inner part of the core is removed and replaced with the artificial inner boundary; the second phase treats shock revival; we construct steady accretion flows through the stalled shock wave on to the proto neutron star; using these configurations as initial conditions for 1D and 2D simulations, we determine the critical neutrino luminosities for shock revival; the evolutions that follow the shock revival are computed in the last phase, with the mass accretion histories obtained in the first phase being taken into account. In the first of two studies done for the thesis we used a single progenitor of 15Msun provided by a realistic stellar evolution calculation and studied the post-shock revival evolutions, changing the time of shock revival. We run seven 1D and five 2D models. In the second exploration, on the other hand, we pay attention to the progenitor dependence of the dynamics. Instead of using progenitor models from realistic stellar evolution calculations, I construct six pre-collapse models with different masses of Fe core and Si+S layer assuming entropy and electron fraction distributions and varying rather arbitrarily the parameters included. Unlike in the first study, we did not specify the shock revival time explicitly but gave the neutrino luminosity in this study. The explosion energy and nickel mass are calculated for eighteen 1D and eight 2D models, respectively. The two studies demonstrate that early explosions are necessary for strong explosions. It is also found that nuclear recombination energy is a major contributor to the explosion energy which is settled to the final value in 500ms whereas the nickel mass needs much longer times to reach the final value, particularly in 2D. Since the nickel tends to be overproduced in early explosions, enhanced fallbacks in multi-dimensional hydrodynamics seem to be crucial to reproduce the observed values of nickel mass and explosion energy simultaneously. As for the progenitor dependence, we found that light cores with relatively high entropies seem to be favorable for reproducing the canonical explosion by the neutrino heating mechanism. It is interesting that the explosion energy is strongly correlated with the mass accretion rate at shock revival regardless of the spatial dimensions.

Hazard-Free Pyrotechnic Simulator

NASA Technical Reports Server (NTRS)

Mcalister, William B., Jr.

1988-01-01

Simulator evaluates performance of firing circuits for electroexplosive devices (EED's) safely and inexpensively. Tests circuits realistically when pyrotechnic squibs not connected and eliminates risks of explosions. Used to test such devices as batteries where test conditions might otherwise degrade them.

The Progenitor Dependence of Core-collapse Supernovae from Three-dimensional Simulations with Progenitor Models of 12–40 M ⊙

NASA Astrophysics Data System (ADS)

Ott, Christian D.; Roberts, Luke F.; da Silva Schneider, André; Fedrow, Joseph M.; Haas, Roland; Schnetter, Erik

2018-03-01

We present a first study of the progenitor star dependence of the three-dimensional (3D) neutrino mechanism of core-collapse supernovae. We employ full 3D general-relativistic multi-group neutrino radiation-hydrodynamics and simulate the postbounce evolutions of progenitors with zero-age main sequence masses of 12, 15, 20, 27, and 40 M ⊙. All progenitors, with the exception of the 12 M ⊙ star, experience shock runaway by the end of their simulations. In most cases, a strongly asymmetric explosion will result. We find three qualitatively distinct evolutions that suggest a complex dependence of explosion dynamics on progenitor density structure, neutrino heating, and 3D flow. (1) Progenitors with massive cores, shallow density profiles, and high post-core-bounce accretion rates experience very strong neutrino heating and neutrino-driven turbulent convection, leading to early shock runaway. Accretion continues at a high rate, likely leading to black hole formation. (2) Intermediate progenitors experience neutrino-driven, turbulence-aided explosions triggered by the arrival of density discontinuities at the shock. These occur typically at the silicon/silicon–oxygen shell boundary. (3) Progenitors with small cores and density profiles without strong discontinuities experience shock recession and develop the 3D standing-accretion shock instability (SASI). Shock runaway ensues late, once declining accretion rate, SASI, and neutrino-driven convection create favorable conditions. These differences in explosion times and dynamics result in a non-monotonic relationship between progenitor and compact remnant mass.

Investigating the Effectiveness of Computer Simulations for Chemistry Learning

ERIC Educational Resources Information Center

Plass, Jan L.; Milne, Catherine; Homer, Bruce D.; Schwartz, Ruth N.; Hayward, Elizabeth O.; Jordan, Trace; Verkuilen, Jay; Ng, Florrie; Wang, Yan; Barrientos, Juan

2012-01-01

Are well-designed computer simulations an effective tool to support student understanding of complex concepts in chemistry when integrated into high school science classrooms? We investigated scaling up the use of a sequence of simulations of kinetic molecular theory and associated topics of diffusion, gas laws, and phase change, which we designed…

Sensitivity of chemistry-transport model simulations to the duration of chemical and transport operators: a case study with GEOS-Chem v10-01

NASA Astrophysics Data System (ADS)

Philip, Sajeev; Martin, Randall V.; Keller, Christoph A.

2016-05-01

Chemistry-transport models involve considerable computational expense. Fine temporal resolution offers accuracy at the expense of computation time. Assessment is needed of the sensitivity of simulation accuracy to the duration of chemical and transport operators. We conduct a series of simulations with the GEOS-Chem chemistry-transport model at different temporal and spatial resolutions to examine the sensitivity of simulated atmospheric composition to operator duration. Subsequently, we compare the species simulated with operator durations from 10 to 60 min as typically used by global chemistry-transport models, and identify the operator durations that optimize both computational expense and simulation accuracy. We find that longer continuous transport operator duration increases concentrations of emitted species such as nitrogen oxides and carbon monoxide since a more homogeneous distribution reduces loss through chemical reactions and dry deposition. The increased concentrations of ozone precursors increase ozone production with longer transport operator duration. Longer chemical operator duration decreases sulfate and ammonium but increases nitrate due to feedbacks with in-cloud sulfur dioxide oxidation and aerosol thermodynamics. The simulation duration decreases by up to a factor of 5 from fine (5 min) to coarse (60 min) operator duration. We assess the change in simulation accuracy with resolution by comparing the root mean square difference in ground-level concentrations of nitrogen oxides, secondary inorganic aerosols, ozone and carbon monoxide with a finer temporal or spatial resolution taken as "truth". Relative simulation error for these species increases by more than a factor of 5 from the shortest (5 min) to longest (60 min) operator duration. Chemical operator duration twice that of the transport operator duration offers more simulation accuracy per unit computation. However, the relative simulation error from coarser spatial resolution generally exceeds that from longer operator duration; e.g., degrading from 2° × 2.5° to 4° × 5° increases error by an order of magnitude. We recommend prioritizing fine spatial resolution before considering different operator durations in offline chemistry-transport models. We encourage chemistry-transport model users to specify in publications the durations of operators due to their effects on simulation accuracy.

Optically coded nanocrystal taggants and optical frequency IDs

NASA Astrophysics Data System (ADS)

Williams, George M., Jr.; Allen, Thomas; Dupuy, Charles; Novet, Thomas; Schut, David

2010-04-01

A series of nanocrystal and nanocrystal quantum dot taggant technologies were developed for covertly tagging and tracking objects of interest. Homogeneous and heterogeneous nanocrystal taggant designs were developed and optimized for ultraviolet through infrared emissions, utilizing either Dexter energy transfer or Förster resonant energy transfer (FRET) between specific absorbing and emitting functionalities. The conversion efficiency, target-specific identification, and adhesion properties of the taggants were engineered by means of various surface ligand chemistries. The ability to engineer poly-functional ligands was shown effective in the detection of a biological agent simulant, detected through a NC photoluminescence that is altered in the presence of the agent of interest; the technique has broad potential applicability to chemical, biological, and explosive (CBE) agent detection. The NC photoluminescence can be detected by a remote LIDAR system; the performance of a taggant system has been modeled and subsequently verified in a series of controlled field tests. LIDAR detection of visible-emitting taggants was shown to exceed 2.8 km in calibrated field tests, and from these field data and calibrated laboratory measurements we predict >5 km range in the covert shortwavelength infrared (SWIR) spectral region.

Formation of 2D nanoparticles with block structure in simultaneous electric explosion of conductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kryzhevich, Dmitrij S., E-mail: kryzhev@ispms.ru, E-mail: kost@ispms.ru; Zolnikov, Konstantin P., E-mail: kryzhev@ispms.ru, E-mail: kost@ispms.ru; Abdrashitov, Andrei V.

2014-11-14

A molecular dynamics simulation of nanoparticle formation in simultaneous electric explosion of conductors is performed. Interatomic interaction is described using potentials calculated in the framework of the embedded atom method. High-rate heating results in failure of the conductors with the formation of nanoparticles. The influence of the heating rate, temperature distribution over the specimen cross-section and the distance between simultaneously exploded conductors on the structure of formed nanoparticles is studied. The calculation results show that the electric explosion of conductors allows the formation of nanoparticles with block structure.

Two-Phase Model of Combustion in Explosions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuhl, A L; Khasainov, B; Bell, J

2006-06-19

A two-phase model for Aluminum particle combustion in explosions is proposed. It combines the gas-dynamic conservation laws for the gas phase with the continuum mechanics laws of multi-phase media, as formulated by Nigmatulin. Inter-phase mass, momentum and energy exchange are prescribed by the Khasainov model. Combustion is specified as material transformations in the Le Chatelier diagram which depicts the locus of thermodynamic states in the internal energy-temperature plane according to Kuhl. Numerical simulations are used to show the evolution of two-phase combustion fields generated by the explosive dissemination of a powdered Al fuel.

Nuclear Fusion induced by Coulomb Explosion of Heteronuclear Clusters

NASA Astrophysics Data System (ADS)

Last, Isidore; Jortner, Joshua

2001-07-01

We propose a new mechanism for the production of high-energy ( E>3 keV) deuterons, suitable to induce dd nuclear fusion, based on multielectron ionization and Coulomb explosion of heteronuclear deuterium containing molecular clusters, e.g., (D2O)n, in intense ( 1016-2×1018 W/cm2) laser fields. Cluster size equations for E, in conjunction with molecular dynamics simulations, reveal important advantages of Coulomb explosion of (D2O)n heteronuclear clusters, as compared with (D)n clusters. These involve the considerably increased D+ kinetic energy and a narrow, high-energy distribution of deuterons.

Modeling and simulation of explosion effectiveness as a function of blast and crowd characteristics

NASA Astrophysics Data System (ADS)

Usmani, Zeeshan-Ul-Hassan

Suicide bombing has become one of the most lethal and favorite modus operandi of terrorist organizations around the world. On average, there is a suicide bombing attack every six days somewhere in the world. While various attempts have been made to assess the impact of explosions on structures and military personnel, little has been done on modeling the impact of a blast wave on a crowd in civilian settings. The assessment of an explosion's effect on a crowd can lead to better management of disasters, triage of patients, locating blast victims under the debris, development of protective gear, and safe distance recommendations to reduce the casualties. The overall goal of this work is to predict the magnitude of injuries and lethality on humans from a blast-wave with various explosive and crowd characteristics, and to compare, contrast, and analyze the performance of explosive and injury models against the real-life data of suicide bombing incidents. This thesis introduces BlastSim---a physics based stationary multi-agent simulation platform to model and simulate a suicide bombing event. The agents are constrained by the physical characteristics and mechanics of the blast wave. The BlastSim is programmed to test, analyze, and validate the results of different model combinations under various conditions with different sets of parameters, such as the crowd and explosive characteristics, blockage and human shields, fragmentation and the bomber's position, in 2-dimensional and 3-dimensional environments. The suicide bombing event can be re-created for forensic analysis. The proposed model combinations show a significant performance---the Harold Brode explosive model with Catherine Lee injury model using the blockage stands out consistently to be the best with an overall cumulative accuracy of 87.6%. When comparing against actual data, overall, prediction accuracy can be increased by 71% using this model combination. The J. Clutter with Reflection explosive model using Charles Stewart injury model with blockage works best for confined-space incidents with an accuracy of 80%. Blockage in a crowd can increase the accuracy by 17% for all models. Line-of-sight with an attacker, rushing towards an exit, announcing the threat of a suicide bombing, sitting inside a vehicle or building, and standing closer to a wall or a rigid surface were found to be the most lethal choices both during and after an attack. The findings can have implications for emergency response and counter terrorism.

A mesoscopic reaction rate model for shock initiation of multi-component PBX explosives.

PubMed

Liu, Y R; Duan, Z P; Zhang, Z Y; Ou, Z C; Huang, F L

2016-11-05

The primary goal of this research is to develop a three-term mesoscopic reaction rate model that consists of a hot-spot ignition, a low-pressure slow burning and a high-pressure fast reaction terms for shock initiation of multi-component Plastic Bonded Explosives (PBX). Thereinto, based on the DZK hot-spot model for a single-component PBX explosive, the hot-spot ignition term as well as its reaction rate is obtained through a "mixing rule" of the explosive components; new expressions for both the low-pressure slow burning term and the high-pressure fast reaction term are also obtained by establishing the relationships between the reaction rate of the multi-component PBX explosive and that of its explosive components, based on the low-pressure slow burning term and the high-pressure fast reaction term of a mesoscopic reaction rate model. Furthermore, for verification, the new reaction rate model is incorporated into the DYNA2D code to simulate numerically the shock initiation process of the PBXC03 and the PBXC10 multi-component PBX explosives, and the numerical results of the pressure histories at different Lagrange locations in explosive are found to be in good agreements with previous experimental data. Copyright © 2016 Elsevier B.V. All rights reserved.

Novel Method to Characterize and Model the Multiaxial Constitutive and Damage Response of Energetic Materials.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaneshige, Michael J.; Rabbi, Md Fazle; Kaneshige, Michael J.

2017-12-01

Simulant polymer bonded explosives are widely used to simulate the mechanical response of real energetic materials. In this paper, the fracture resistance of a simulant polymer bo nded explosive (PBX) is experimentally investigated. The simulant is composed of 80 wt.% soda lime glass beads (SLGB) and 20 wt.% high impact Polystyrene 825 (HIPS). Brazilian disk tests are performed to characterize the tensile and compressive properties. Fracture toughness and energy tests are performed in the semi - circular bending (SCB) configuration on 80, 81, 82, and 83 wt % SLGB compositions. Digital image correlation is performed to record the surface displacementsmore » and calculate surface strains during testing. The m icromechanical behavior of ductile and brittle fracture are evaluated using digital microscopy and scanning electron microscopy of the fracture surface. It is determined that (i) the manufacturing process produces a credible simulant of PBX properties, and (ii) the SCB test measures fracture resistance with a reasonable coefficient of variation.« less

Evaluation of mean climate in a chemistry-climate model simulation

NASA Astrophysics Data System (ADS)

Hong, S.; Park, H.; Wie, J.; Park, R.; Lee, S.; Moon, B. K.

2017-12-01

Incorporation of the interactive chemistry is essential for understanding chemistry-climate interactions and feedback processes in climate models. Here we assess a newly developed chemistry-climate model (GRIMs-Chem), which is based on the Global/Regional Integrated Model system (GRIMs) including the aerosol direct effect as well as stratospheric linearized ozone chemistry (LINOZ). We conducted GRIMs-Chem with observed sea surface temperature during the period of 1979-2010, and compared the simulation results with observations and also with CMIP models. To measure the relative performance of our model, we define the quantitative performance metric using the Taylor diagram. This metric allow us to assess overall features in simulating multiple variables. Overall, our model better reproduce the zonal mean spatial pattern of temperature, horizontal wind, vertical motion, and relative humidity relative to other models. However, the model did not produce good simulations at upper troposphere (200 hPa). It is currently unclear which model processes are responsible for this. AcknowledgementsThis research was supported by the Korea Ministry of Environment (MOE) as "Climate Change Correspondence Program."

Dimethylsulfide Chemistry: Annual, Seasonal, and Spatial Impacts on Sulfate

EPA Science Inventory

We incorporated oceanic emissions and atmospheric chemistry of dimethylsulfide (DMS) into the hemispheric Community Multiscale Air Quality model and performed annual model simulations without and with DMS chemistry. The model without DMS chemistry predicts higher concentrations o...

Numerical simulation of turbulent combustion: Scientific challenges

NASA Astrophysics Data System (ADS)

Ren, ZhuYin; Lu, Zhen; Hou, LingYun; Lu, LiuYan

2014-08-01

Predictive simulation of engine combustion is key to understanding the underlying complicated physicochemical processes, improving engine performance, and reducing pollutant emissions. Critical issues as turbulence modeling, turbulence-chemistry interaction, and accommodation of detailed chemical kinetics in complex flows remain challenging and essential for high-fidelity combustion simulation. This paper reviews the current status of the state-of-the-art large eddy simulation (LES)/prob-ability density function (PDF)/detailed chemistry approach that can address the three challenging modelling issues. PDF as a subgrid model for LES is formulated and the hybrid mesh-particle method for LES/PDF simulations is described. Then the development need in micro-mixing models for the PDF simulations of turbulent premixed combustion is identified. Finally the different acceleration methods for detailed chemistry are reviewed and a combined strategy is proposed for further development.

The ARO Working Group Meeting on Ignition Processes, June 1978.

DTIC Science & Technology

1980-03-01

great variety of products are formed from HMX and RDX , including several which cannot be readily explained by the propellant molecules simply breaking...nascent product from HMX is N20, which indicates that some chemistry has taken place somewhere (Figure I shows the HMX and RDX molecules for reference...who described his research into the gas phase unimolecular decomposition of molecules used as explosives (TNT, HMX , RDX ). The purpose of this research

An Indexed Combinatorial Library: The Synthesis and Testing of Insect Repellents

NASA Astrophysics Data System (ADS)

Miles, William H.; Gelato, Kathy A.; Pompizzi, Kristen M.; Scarbinsky, Aislinn M.; Albrecht, Brian K.; Reynolds, Elaine R.

2001-04-01

An indexed combinatorial library of amides was prepared by the reaction of amines and acid chlorides. A simple test for insect repellency using fruit flies (Drosophila melanogaster) allowed the determination of the most repellent sublibraries. The student-generated data were collected and analyzed to determine the most active amide(s) in the library. This experiment illustrates the fundamentals of combinatorial chemistry, a field that has undergone explosive growth in the last decade.

High-Explosives Applications Facility (HEAF)

NASA Astrophysics Data System (ADS)

Morse, J. L.; Weingart, R. C.

1989-03-01

This Safety Analysis Report (SAR) reviews the safety and environmental aspects of the High Explosives Applications Facility (HEAF). Topics covered include the site selected for the HEAF, safety design criteria, operations planned within the facility, and the safety and environmental analyses performed on this project to date. Provided in the Summary section is a review of hazards and the analyses, conclusions, and operating limits developed in this SAR. Appendices provide supporting documents relating to this SAR. This SAR is required by the LLNL Health and Safety Manual and DOE Order 5481.1B(2) to document the safety analysis efforts. The SAR was assembled by the Hazards Control Department, B-Division, and HEAF project personnel. This document was reviewed by B Division, the Chemistry Department, the Hazards Control Department, the Laboratory Associate Director for Administration and Operations, and the Associate Directors ultimately responsible for HEAF operations.

CL-20/DNB co-crystal based PBX with PEG: molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Zhang, Jiang; Gao, Pei; Xiao, Ji Jun; Zhao, Feng; Xiao, He Ming

2016-12-01

Molecular dynamics simulation was carried out for CL-20/DNB co-crystal based PBX (polymer-bonded explosive) blended with polymer PEG (polyethylene glycol). In this paper, the miscibility of the PBX models is investigated through the calculated binding energy. Pair correlation function (PCF) analysis is applied to study the interaction of the interface structures in the PBX models. The mechanical properties of PBXs are also discussed to understand the change of the mechanical properties after adding the polymer. Moreover, the calculated diffusion coefficients of the interfacial explosive molecules are used to discuss the dispersal ability of CL-20 and DNB molecules in the interface layer.

On the generation of horizontal shear waves by underground explosions in jointed rocks

DOE PAGES

Vorobiev, Oleg; Ezzedine, Souheil; Antoun, Tarabay; ...

2015-02-04

This paper describes computational studies of non-spherical ground motions generated by spherical explosions in a heavily jointed granite formation. Various factors affecting the shear wave generation are considered, including joint spacing, orientation, persistence and properties. Simulations are performed both in 2D for a single joint set to elucidate the basic response mechanisms, and in 3D for multiple joint sets to realistically represent in situ conditions in a realistic geologic setting. The joints are modeled explicitly using both contact elements and weakness planes in the material. Simulations are performed both deterministically and stochastically to quantify the effects of geologic uncertainties onmore » near field ground motions. The mechanical properties of the rock and the joints as well as the joint spacing and orientation are taken from experimental test data and geophysical logs corresponding to the Climax Stock granitic outcrop, which is the geologic setting of the Source Physics Experiment (SPE). Agreement between simulation results and near field wave motion data from SPE enables newfound understanding of the origin and extent of non-spherical motions associated with underground explosions in fractured geologic media.« less

Numerical Modeling of Mixing and Venting from Explosions in Bunkers

NASA Astrophysics Data System (ADS)

Liu, Benjamin

2005-07-01

2D and 3D numerical simulations were performed to study the dynamic interaction of explosion products in a concrete bunker with ambient air, stored chemical or biological warfare (CBW) agent simulant, and the surrounding walls and structure. The simulations were carried out with GEODYN, a multi-material, Godunov-based Eulerian code, that employs adaptive mesh refinement and runs efficiently on massively parallel computer platforms. Tabular equations of state were used for all materials with the exception of any high explosives employed, which were characterized with conventional JWL models. An appropriate constitutive model was used to describe the concrete. Interfaces between materials were either tracked with a volume-of-fluid method that used high-order reconstruction to specify the interface location and orientation, or a capturing approach was employed with the assumption of local thermal and mechanical equilibrium. A major focus of the study was to estimate the extent of agent heating that could be obtained prior to venting of the bunker and resultant agent dispersal. Parameters investigated included the bunker construction, agent layout, energy density in the bunker and the yield-to-agent mass ratio. Turbulent mixing was found to be the dominant heat transfer mechanism for heating the agent.

Numerical simulation of a 100-ton ANFO detonation

NASA Astrophysics Data System (ADS)

Weber, P. W.; Millage, K. K.; Crepeau, J. E.; Happ, H. J.; Gitterman, Y.; Needham, C. E.

2015-03-01

This work describes the results from a US government-owned hydrocode (SHAMRC, Second-Order Hydrodynamic Automatic Mesh Refinement Code) that simulated an explosive detonation experiment with 100,000 kg of Ammonium Nitrate-Fuel Oil (ANFO) and 2,080 kg of Composition B (CompB). The explosive surface charge was nearly hemispherical and detonated in desert terrain. Two-dimensional axisymmetric (2D) and three-dimensional (3D) simulations were conducted, with the 3D model providing a more accurate representation of the experimental setup geometry. Both 2D and 3D simulations yielded overpressure and impulse waveforms that agreed qualitatively with experiment, including the capture of the secondary shock observed in the experiment. The 2D simulation predicted the primary shock arrival time correctly but secondary shock arrival time was early. The 2D-predicted impulse waveforms agreed very well with the experiment, especially at later calculation times, and prediction of the early part of the impulse waveform (associated with the initial peak) was better quantitatively for 2D compared to 3D. The 3D simulation also predicted the primary shock arrival time correctly, and secondary shock arrival times in 3D were closer to the experiment than in the 2D results. The 3D-predicted impulse waveform had better quantitative agreement than 2D for the later part of the impulse waveform. The results of this numerical study show that SHAMRC may be used reliably to predict phenomena associated with the 100-ton detonation. The ultimate fidelity of the simulations was limited by both computer time and memory. The results obtained provide good accuracy and indicate that the code is well suited to predicting the outcomes of explosive detonations.

Development and Formative Evaluation of Computer Simulated College Chemistry Experiments.

ERIC Educational Resources Information Center

Cavin, Claudia S.; Cavin, E. D.

1978-01-01

This article describes the design, preparation, and initial evaluation of a set of computer-simulated chemistry experiments. The experiments entailed the use of an atomic emission spectroscope and a single-beam visible absorption spectrophometer. (Author/IRT)

Explosive attractor solutions to a universal cubic delay equation

NASA Astrophysics Data System (ADS)

Sanz-Orozco, D.; Berk, H. L.

2017-05-01

New explosive attractor solutions have been found in a universal cubic delay equation that has been studied in both the plasma and the fluid mechanics literature. Through computational simulations and analytic approximations, it is found that the oscillatory component of the explosive mode amplitude solutions are described through multi-frequency Fourier expansions with respect to a pseudo-time variable. The spectral dependence of these solutions as a function of a system parameter, ϕ , is studied. The mode amplitude that is described in the explosive regime has two main features: a well-known envelope ( t 0 - t ) - 5 / 2 , with t0 the blow-up time of the amplitude, and a spectrum of discrete oscillations with ever-increasing frequencies, which may give experimental information about the properties of a system's equilibrium.

The Impact of Learner's Prior Knowledge on Their Use of Chemistry Computer Simulations: A Case Study

ERIC Educational Resources Information Center

Liu, Han-Chin; Andre, Thomas; Greenbowe, Thomas

2008-01-01

It is complicated to design a computer simulation that adapts to students with different characteristics. This study documented cases that show how college students' prior chemistry knowledge level affected their interaction with peers and their approach to solving problems with the use of computer simulations that were designed to learn…

Three Dimensional Analysis of Induced Detonation of Cased Explosive

DTIC Science & Technology

2014-10-16

hardness and ductility . RHA steel is largely used in military applications to manufacture armoured vehicles. The Johnson Cook (JC) constitutive...armour (RHA) steel were investigated through the LS-DYNA. The investigation focused on shock to detonation simulations of Composition B, with the... hot spots caused by the compression of the explosive from the initial shockwave. Detonation was also caused by pressure waves reflecting against the

Modeling, Simulation, and Analysis for State and Local Emergency Planning and Response. Operational Requirements Document

DTIC Science & Technology

2009-01-01

pro- gram requirements, and administering local and federal funding. Emergency services—organizations that provide for public safety by the...chemicals Nerve agent Chlorine tank explosion Major earthquake Major hurricane Radiological dispersal device Improvised explosive device Food ...state Locally Developed Software 1 city 1 county 1 city 1 county 3 states Lotus Notes Suite 1 NGO MABAS.ORG 1 county

Data report of a pretest analysis of soil-structure interaction and structural response in low-amplitude explosive testing (50 KG) of the heissdampfreaktor (HDR)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vaughan, D.K.; Sandler, I.; Rubin, D.

This report describes a three-dimensional nonlinear TRANAL finite element analysis of a nuclear reactor subjected to ground shaking from a buried 50 kg explosive source. The analysis is a pretest simulation of a test event which was scheduled to be conducted in West Germany on 3 November 1979.

Chemical and Physical Characterization of Comp A-3 Type II Prills

DTIC Science & Technology

2013-06-01

the composition and properties of the explosive for implementation into modeling and simulation tools as part of the Multi-scale Response of...emulsion were identified using desorption-gas chromatography/mass spectroscopy (D-GC- MS) and Fourier transform infrared ( FTIR ) spectroscopy. Quantitative...understanding the microstructure of the pressed explosive and provides critical information for the development of a high fidelity particle-based course-grain

Dimethylsulfide chemistry: annual, seasonal, and spatial impacts on SO_4^(2-)

EPA Science Inventory

We incorporated oceanic emissions and atmospheric chemistry of dimethylsulfide (DMS) into the hemispheric Community Multiscale Air Quality model and performed annual model simulations without and with DMS chemistry. The model without DMS chemistry predicts higher concentrations o...

Explosive synchronization coexists with classical synchronization in the Kuramoto model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Danziger, Michael M., E-mail: michael.danziger@biu.ac.il; Havlin, Shlomo; Moskalenko, Olga I.

2016-06-15

Explosive synchronization has recently been reported in a system of adaptively coupled Kuramoto oscillators, without any conditions on the frequency or degree of the nodes. Here, we find that, in fact, the explosive phase coexists with the standard phase of the Kuramoto oscillators. We determine this by extending the mean-field theory of adaptively coupled oscillators with full coupling to the case with partial coupling of a fraction f. This analysis shows that a metastable region exists for all finite values of f > 0, and therefore explosive synchronization is expected for any perturbation of adaptively coupling added to the standard Kuramoto model.more » We verify this theory with GPU-accelerated simulations on very large networks (N ∼ 10{sup 6}) and find that, in fact, an explosive transition with hysteresis is observed for all finite couplings. By demonstrating that explosive transitions coexist with standard transitions in the limit of f → 0, we show that this behavior is far more likely to occur naturally than was previously believed.« less

Generation of Shear Motion from an Isotropic Explosion Source by Scattering in Heterogeneous Media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hirakawa, Evan; Pitarka, Arben; Mellors, Robert

One challenging task in explosion seismology is the development of physical models for explaining the generation of S waves during underground explosions. Recent analysis of ground motion from chemical explosions during the Source Physics Experiment (Pitarka et al., 2015) suggests that, although a large component of shear motion was generated directly at the source, additional scattering from heterogeneous velocity structure and topography is necessary to better match the recorded data. In our paper, we used a stochastic representation of small-scale velocity variability to produce high-frequency scattering and to analyze its implication on shear-motion generation during underground explosions. In our stochasticmore » velocity model, the key parameters that affect scattering are the correlation length and the relative amplitude of velocity perturbations. Finally, based on finite-difference simulations of elastic wave propagation from an isotropic explosion source, we find that higher velocity perturbations result in larger shear motion, whereas the correlation length, which controls the scatterers size, affects the frequency range at which relative transverse motion is larger.« less

Generation of Shear Motion from an Isotropic Explosion Source by Scattering in Heterogeneous Media

DOE PAGES

Hirakawa, Evan; Pitarka, Arben; Mellors, Robert

2016-07-19

One challenging task in explosion seismology is the development of physical models for explaining the generation of S waves during underground explosions. Recent analysis of ground motion from chemical explosions during the Source Physics Experiment (Pitarka et al., 2015) suggests that, although a large component of shear motion was generated directly at the source, additional scattering from heterogeneous velocity structure and topography is necessary to better match the recorded data. In our paper, we used a stochastic representation of small-scale velocity variability to produce high-frequency scattering and to analyze its implication on shear-motion generation during underground explosions. In our stochasticmore » velocity model, the key parameters that affect scattering are the correlation length and the relative amplitude of velocity perturbations. Finally, based on finite-difference simulations of elastic wave propagation from an isotropic explosion source, we find that higher velocity perturbations result in larger shear motion, whereas the correlation length, which controls the scatterers size, affects the frequency range at which relative transverse motion is larger.« less

Exploring Systematic Effects in Thermonuclear Supernovae

NASA Astrophysics Data System (ADS)

Jackson, Aaron Perry

Type Ia supernovae (SNe) are bright astrophysical explosions that form a remarkably homogeneous class of objects serving as the premier distance indicators for studying the expansion history of the Universe and the nature of dark energy. Despite the widespread acceptance of the surprising discovery of the acceleration of the expansion of the Universe and the existence of the mysterious dark energy driving it that followed from these studies, the progenitor systems of these explosions are unknown. Knowledge of the progenitor system is required to understand possible systematic effects due to properties of the parent stellar population or host galaxy. While several scenarios have been proposed, the most widely accepted one is the thermonuclear explosion of a near-Chandrasekharmass, carbon-oxygen white dwarf (WD). Under this scenario, the explosive burning begins near the center as a deflagration (subsonic burning) that transitions to a detonation (supersonic burning) some time later after the WD has expanded in response to the energy release. Turbulence, either pre-existing or generated by burning, serves to increase the surface area of the burning front, thus enhancing the fuel consumption rate. In addition, turbulence--flame interaction (TFI) may be responsible for deflagration--detonation transition (DDT). Simulations of this explosion scenario typically parameterize the DDT to occur when the flame reaches a particular density. I performed a suite of two-dimensional (2D) simulations with the compressible, hydrodynamics code FLASH to evaluate the influence of the DDT density on the average yield of radioactive 56Ni that powers the SN light curve. In addition, I considered the compositional dependence of the DDT density to explore one way in which metallicity may influence the explosion outcome. My results have confirmed a new pathway to explain observed trends in the average peak brightness of SNe Ia with host galaxy metallicity. In a separate study, I address the basic physics of modeling flames and turbulent combustion. The disparate length scales in the SN necessitate use of a flame model to capture the effect of burning on unresolved scales. I implemented a method to measure the strength of unresolved turbulence, which is used to estimate the amount of wrinkling of the unresolved flame surface. In addition, the measure of turbulent strength may be used to improve the criterion by which DDT is initiated. These improvements will allow three-dimensional (3D) simulations of the early flame evolution in the presence of strong pre-existing turbulence. The research conducted for this dissertation has led to important insights into the explosion mechanism of SNe Ia. In addition, improvements to the model have allowed and will continue to allow simulations of unprecedented realism of the complex process of exploding WDs in a thermonuclear SN.

A study of the dissociative recombination of CaO+ with electrons: Implications for Ca chemistry in the upper atmosphere.

PubMed

Bones, D L; Gerding, M; Höffner, J; Martín, Juan Carlos Gómez; Plane, J M C

2016-12-28

The dissociative recombination of CaO + ions with electrons has been studied in a flowing afterglow reactor. CaO + was generated by the pulsed laser ablation of a Ca target, followed by entrainment in an Ar + ion/electron plasma. A kinetic model describing the gas-phase chemistry and diffusion to the reactor walls was fitted to the experimental data, yielding a rate coefficient of (3.0 ± 1.0) × 10 -7  cm 3  molecule -1  s -1 at 295 K. This result has two atmospheric implications. First, the surprising observation that the Ca + /Fe + ratio is ~8 times larger than Ca/Fe between 90 and 100 km in the atmosphere can now be explained quantitatively by the known ion-molecule chemistry of these two metals. Second, the rate of neutralization of Ca + ions in a descending sporadic E layer is fast enough to explain the often explosive growth of sporadic neutral Ca layers.

A general framework for numerical simulation of improvised explosive device (IED)-detection scenarios using density functional theory (DFT) and terahertz (THz) spectra.

PubMed

Shabaev, Andrew; Lambrakos, Samuel G; Bernstein, Noam; Jacobs, Verne L; Finkenstadt, Daniel

2011-04-01

We have developed a general framework for numerical simulation of various types of scenarios that can occur for the detection of improvised explosive devices (IEDs) through the use of excitation using incident electromagnetic waves. A central component model of this framework is an S-matrix representation of a multilayered composite material system. Each layer of the system is characterized by an average thickness and an effective electric permittivity function. The outputs of this component are the reflectivity and the transmissivity as functions of frequency and angle of the incident electromagnetic wave. The input of the component is a parameterized analytic-function representation of the electric permittivity as a function of frequency, which is provided by another component model of the framework. The permittivity function is constructed by fitting response spectra calculated using density functional theory (DFT) and parameter adjustment according to any additional information that may be available, e.g., experimentally measured spectra or theory-based assumptions concerning spectral features. A prototype simulation is described that considers response characteristics for THz excitation of the high explosive β-HMX. This prototype simulation includes a description of a procedure for calculating response spectra using DFT as input to the Smatrix model. For this purpose, the DFT software NRLMOL was adopted. © 2011 Society for Applied Spectroscopy

Modeling and Simulation of Plasma-Assisted Ignition and Combustion

DTIC Science & Technology

2013-10-01

local plasma chemistry effects over heat transport in achieving “volumetric” ignition using pulse nanosecond discharges. •detailed parametric studies...electrical breakdown • cathode sheath formation • electron impact dynamics PLASMA DISCHARGE DYNAMICS Plasma Chemistry Ionization, Excitation...quenching of excited species nonequilibrium plasma chemistry low temperature radical chemistry high temperature combustion chemistry School of

Evaluation of electrical conductivity and equations of state of non-ideal plasma through microsecond timescale underwater electrical wire explosion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sheftman, D.; Krasik, Ya. E.

2011-09-15

Experimental and simulation results of underwater electrical Cu, Al, and W wire explosions in the microsecond timescale are presented. It was shown that the electrical conductivity results for Cu and Al agree well with modified Lee-More and quantum molecular dynamic models for temperatures above 10 kK. The equation of state (EOS) values based on SESAME tables for Cu and Al were slightly modified for intermediate temperatures in order to obtain fitting between experimental and simulated exploding wire radial expansion. Also, it was shown that the electrical conductivity results and the EOS evaluation differ significantly from the results obtained in nanosecondmore » timescale experiments. Finally, it was found that underwater electrical W wire explosion is characterized by the appearance of non-uniformities along the z-axis of the wire. This phenomena adds uncertainty to the possibility of applying this type of experiments for evaluation of the electrical conductivity and EOS of W.« less

Characterizing the growth to detonation in HNS with small-scale PDV "cutback" experiments

NASA Astrophysics Data System (ADS)

Wixom, Ryan R.; Yarrington, Cole D.; Knepper, Robert; Tappan, Alexander S.; Olles, Joseph D.; Damm, David L.

2017-01-01

For many decades, cutback experiments have been used to characterize the equation of state and growth to steady detonation in explosive formulations. More recently, embedded gauges have been used to capture the growth to steady detonation in gas-gun impacted samples. Data resulting from these experiments are extremely valuable for parameterizing equation of state and reaction models used in hydrocode simulations. Due to the extremely fast growth to detonation in typical detonator explosives, cutback and embedded gauge experiments are particularly difficult, if not impossible. Using frequency shifted photonic Doppler velocimetry (PDV) we have measured particle velocity histories from vapor-deposited explosive films impacted with electrically driven flyers. By varying the sample thickness and impact conditions we were able to capture the growth from inert shock to full detonation pressure within distances as short as 100 µm. These data are being used to assess and improve burn-model parameterization and equations of state for simulating shock initiation.

Selection and explosive growth alter genetic architecture and hamper the detection of causal rare variants

PubMed Central

Zaitlen, Noah A.; Ye, Chun Jimmie; Witte, John S.

2016-01-01

The role of rare alleles in complex phenotypes has been hotly debated, but most rare variant association tests (RVATs) do not account for the evolutionary forces that affect genetic architecture. Here, we use simulation and numerical algorithms to show that explosive population growth, as experienced by human populations, can dramatically increase the impact of very rare alleles on trait variance. We then assess the ability of RVATs to detect causal loci using simulations and human RNA-seq data. Surprisingly, we find that statistical performance is worst for phenotypes in which genetic variance is due mainly to rare alleles, and explosive population growth decreases power. Although many studies have attempted to identify causal rare variants, few have reported novel associations. This has sometimes been interpreted to mean that rare variants make negligible contributions to complex trait heritability. Our work shows that RVATs are not robust to realistic human evolutionary forces, so general conclusions about the impact of rare variants on complex traits may be premature. PMID:27197206

The escape of high explosive products: An exact-solution problem for verification of hydrodynamics codes

DOE PAGES

Doebling, Scott William

2016-10-22

This paper documents the escape of high explosive (HE) products problem. The problem, first presented by Fickett & Rivard, tests the implementation and numerical behavior of a high explosive detonation and energy release model and its interaction with an associated compressible hydrodynamics simulation code. The problem simulates the detonation of a finite-length, one-dimensional piece of HE that is driven by a piston from one end and adjacent to a void at the other end. The HE equation of state is modeled as a polytropic ideal gas. The HE detonation is assumed to be instantaneous with an infinitesimal reaction zone. Viamore » judicious selection of the material specific heat ratio, the problem has an exact solution with linear characteristics, enabling a straightforward calculation of the physical variables as a function of time and space. Lastly, implementation of the exact solution in the Python code ExactPack is discussed, as are verification cases for the exact solution code.« less

Numerical Simulations of Near-Field Blast Effects using Kinetic Plates

NASA Astrophysics Data System (ADS)

Neuscamman, Stephanie; Manner, Virginia; Brown, Geoffrey; Glascoe, Lee

2013-06-01

Numerical simulations using two hydrocodes were compared to near-field measurements of blast impulse associated with ideal and non-ideal explosives to gain insight into testing results and predict untested configurations. The recently developed kinetic plate test was designed to measure blast impulse in the near-field by firing spherical charges in close range from steel plates and probing plate acceleration using laser velocimetry. Plate velocities for ideal, non-ideal and aluminized explosives tests were modeled using a three dimensional hydrocode. The effects of inert additives in the explosive formulation were modeled using a 1-D hydrocode with multiphase flow capability using Lagrangian particles. The relative effect of particle impact on the plate compared to the blast wave impulse is determined and modeling is compared to free field pressure results. This work is performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. This is abstract LLNL-ABS-622152.

Isotopic signature of atmospheric xenon released from light water reactors.

PubMed

Kalinowski, Martin B; Pistner, Christoph

2006-01-01

A global monitoring system for atmospheric xenon radioactivity is being established as part of the International Monitoring System to verify compliance with the Comprehensive Nuclear-Test-Ban Treaty (CTBT). The isotopic activity ratios of (135)Xe, (133m)Xe, (133)Xe and (131m)Xe are of interest for distinguishing nuclear explosion sources from civilian releases. Simulations of light water reactor (LWR) fuel burn-up through three operational reactor power cycles are conducted to explore the possible xenon isotopic signature of nuclear reactor releases under different operational conditions. It is studied how ratio changes are related to various parameters including the neutron flux, uranium enrichment and fuel burn-up. Further, the impact of diffusion and mixing on the isotopic activity ratio variability are explored. The simulations are validated with reported reactor emissions. In addition, activity ratios are calculated for xenon isotopes released from nuclear explosions and these are compared to the reactor ratios in order to determine whether the discrimination of explosion releases from reactor effluents is possible based on isotopic activity ratios.

Bromine release from blowing snow and its impact on tropospheric chemistry

NASA Astrophysics Data System (ADS)

Griffiths, Paul; Yang, Xin; Abraham, N. Luke; Archibald, Alexander; Pyle, John

2016-04-01

In the last two decades, significant depletion of boundary layer ozone (ozone depletion events, ODEs) has been observed in both Arctic and Antarctic spring. ODEs are attributed to catalytic destruction by bromine radicals (Br plus BrO), especially during bromine explosion events (BEs), when high concentrations of BrO periodically occur. The source of bromine and the mechanism that sustains the high BrO levels are still the subject of study. Recent work by Pratt et al. (2013) posits Br2 production within saline snow and sea ice which leads to sudden ODEs. Previously, Yang et al. (2008) suggested snow could provide a source of (depleted) sea-salt aerosol if wicked from the surface of ice. They suggest that rapid depletion of bromide from the aerosol will constitute a source of photochemical Bry. Given the large sea ice extent in polar regions, this may constitute a significant source of sea salt and bromine in the polar lower atmosphere. While bromine release from blowing snow is perhaps less likely to trigger sudden ODEs, it may make a contribution to regional scale processes affecting ozone levels. Currently, the model parameterisations of Yang et al. assumes that rapid release of bromine occurs from fresh snow on sea ice during periods of strong wind. The parameterisation depends on an assumed sea-salt aerosol distribution generated via sublimation of the snow above the boundary layer, as well as taking into account the salinity of the snow. In this work, we draw on recent measurements by scientists from the British Antarctic Survey during a cruise aboard the Polarstern in the southern oceans. This has provided an extensive set of measurements of the chemical and physical characteristics of blowing snow over sea ice, and of the aerosol associated with it. Based on the observations, we have developed an improved parameterisation of the release of bromine from blowing snow. The paper presents results from the simulation performed using the United Kingdom Chemistry and Aerosols (UKCA) model, run as a component of the UK Met Office Unified Model, employing the updated parameterisation of Yang et al. We assess the performance of the parameterisation in simulating tropospheric BrO, a review of relevant parameters, as well as a quantitative assessment of the release of sea salt aerosol and its contribution to halogen chemistry in the polar and global atmosphere.

Models for Type Ia Supernovae and Related Astrophysical Transients

NASA Astrophysics Data System (ADS)

Röpke, Friedrich K.; Sim, Stuart A.

2018-06-01

We give an overview of recent efforts to model Type Ia supernovae and related astrophysical transients resulting from thermonuclear explosions in white dwarfs. In particular we point out the challenges resulting from the multi-physics multi-scale nature of the problem and discuss possible numerical approaches to meet them in hydrodynamical explosion simulations and radiative transfer modeling. We give examples of how these methods are applied to several explosion scenarios that have been proposed to explain distinct subsets or, in some cases, the majority of the observed events. In case we comment on some of the successes and shortcoming of these scenarios and highlight important outstanding issues.

A simplified method for determining reactive rate parameters for reaction ignition and growth in explosives

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, P.J.

1996-07-01

A simplified method for determining the reactive rate parameters for the ignition and growth model is presented. This simplified ignition and growth (SIG) method consists of only two adjustable parameters, the ignition (I) and growth (G) rate constants. The parameters are determined by iterating these variables in DYNA2D hydrocode simulations of the failure diameter and the gap test sensitivity until the experimental values are reproduced. Examples of four widely different explosives were evaluated using the SIG model. The observed embedded gauge stress-time profiles for these explosives are compared to those calculated by the SIG equation and the results are described.

Comparison Between Surf and Multi-Shock Forest Fire High Explosive Burn Models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Greenfield, Nicholas Alexander

PAGOSA1 has several different burn models used to model high explosive detonation. Two of these, Multi-Shock Forest Fire and Surf, are capable of modeling shock initiation. Accurately calculating shock initiation of a high explosive is important because it is a mechanism for detonation in many accident scenarios (i.e. fragment impact). Comparing the models to pop-plot data give confidence that the models are accurately calculating detonation or lack thereof. To compare the performance of these models, pop-plots2 were created from simulations where one two cm block of PBX 9502 collides with another block of PBX 9502.

Real-time supernova neutrino burst monitor at Super-Kamiokande

NASA Astrophysics Data System (ADS)

Abe, K.; Haga, Y.; Hayato, Y.; Ikeda, M.; Iyogi, K.; Kameda, J.; Kishimoto, Y.; Miura, M.; Moriyama, S.; Nakahata, M.; Nakano, Y.; Nakayama, S.; Sekiya, H.; Shiozawa, M.; Suzuki, Y.; Takeda, A.; Tanaka, H.; Tomura, T.; Ueno, K.; Wendell, R. A.; Yokozawa, T.; Irvine, T.; Kajita, T.; Kametani, I.; Kaneyuki, K.; Lee, K. P.; McLachlan, T.; Nishimura, Y.; Richard, E.; Okumura, K.; Labarga, L.; Fernandez, P.; Berkman, S.; Tanaka, H. A.; Tobayama, S.; Gustafson, J.; Kearns, E.; Raaf, J. L.; Stone, J. L.; Sulak, L. R.; Goldhaber, M.; Carminati, G.; Kropp, W. R.; Mine, S.; Weatherly, P.; Renshaw, A.; Smy, M. B.; Sobel, H. W.; Takhistov, V.; Ganezer, K. S.; Hartfiel, B. L.; Hill, J.; Keig, W. E.; Hong, N.; Kim, J. Y.; Lim, I. T.; Akiri, T.; Himmel, A.; Scholberg, K.; Walter, C. W.; Wongjirad, T.; Ishizuka, T.; Tasaka, S.; Jang, J. S.; Learned, J. G.; Matsuno, S.; Smith, S. N.; Hasegawa, T.; Ishida, T.; Ishii, T.; Kobayashi, T.; Nakadaira, T.; Nakamura, K.; Oyama, Y.; Sakashita, K.; Sekiguchi, T.; Tsukamoto, T.; Suzuki, A. T.; Takeuchi, Y.; Bronner, C.; Hirota, S.; Huang, K.; Ieki, K.; Kikawa, T.; Minamino, A.; Murakami, A.; Nakaya, T.; Suzuki, K.; Takahashi, S.; Tateishi, K.; Fukuda, Y.; Choi, K.; Itow, Y.; Mitsuka, G.; Mijakowski, P.; Hignight, J.; Imber, J.; Jung, C. K.; Yanagisawa, C.; Wilking, M. J.; Ishino, H.; Kibayashi, A.; Koshio, Y.; Mori, T.; Sakuda, M.; Yamaguchi, R.; Yano, T.; Kuno, Y.; Tacik, R.; Kim, S. B.; Okazawa, H.; Choi, Y.; Nishijima, K.; Koshiba, M.; Suda, Y.; Totsuka, Y.; Yokoyama, M.; Martens, K.; Marti, Ll.; Vagins, M. R.; Martin, J. F.; de Perio, P.; Konaka, A.; Chen, S.; Zhang, Y.; Connolly, K.; Wilkes, R. J.

2016-08-01

We present a real-time supernova neutrino burst monitor at Super-Kamiokande (SK). Detecting supernova explosions by neutrinos in real time is crucial for giving a clear picture of the explosion mechanism. Since the neutrinos are expected to come earlier than light, a fast broadcasting of the detection may give astronomers a chance to make electromagnetic radiation observations of the explosions right at the onset. The role of the monitor includes a fast announcement of the neutrino burst detection to the world and a determination of the supernova direction. We present the online neutrino burst detection system and studies of the direction determination accuracy based on simulations at SK.

Double-pulse standoff laser-induced breakdown spectroscopy for versatile hazardous materials detection

NASA Astrophysics Data System (ADS)

Gottfried, Jennifer L.; De Lucia, Frank C.; Munson, Chase A.; Miziolek, Andrzej W.

2007-12-01

We have developed a double-pulse standoff laser-induced breakdown spectroscopy (ST-LIBS) system capable of detecting a variety of hazardous materials at tens of meters. The use of a double-pulse laser improves the sensitivity and selectivity of ST-LIBS, especially for the detection of energetic materials. In addition to various metallic and plastic materials, the system has been used to detect bulk explosives RDX and Composition-B, explosive residues, biological species such as the anthrax surrogate Bacillus subtilis, and chemical warfare simulants at 20 m. We have also demonstrated the discrimination of explosive residues from various interferents on an aluminum substrate.

Research in Chemical Kinetics: Progress Report, January 1, 1978 to September 30, 1978

DOE R&D Accomplishments Database

Rowland, F. S.

1978-01-01

Research was conducted on the following topics: stratospheric chemistry of chlorinated molecules, atmospheric chemistry of methane, atmospheric chemistry of cosmogenic tritium, reactions of energetic and thermal radioactive atoms, methylene chemistry, and laboratory simulation of chemical reactions in Jupiter atmosphere. (DLC)

Nanosecond laser ablation of target Al in a gaseous medium: explosive boiling

NASA Astrophysics Data System (ADS)

Mazhukin, V. I.; Mazhukin, A. V.; Demin, M. M.; Shapranov, A. V.

2018-03-01

An approximate mathematical description of the processes of homogeneous nucleation and homogeneous evaporation (explosive boiling) of a metal target (Al) under the influence of ns laser radiation is proposed in the framework of the hydrodynamic model. Within the continuum approach, a multi-phase, multi-front hydrodynamic model and a computational algorithm are designed to simulate nanosecond laser ablation of the metal targets immersed in gaseous media. The proposed approach is intended for modeling and detailed analysis of the mechanisms of heterogeneous and homogeneous evaporation and their interaction with each other. It is shown that the proposed model and computational algorithm allow modeling of interrelated mechanisms of heterogeneous and homogeneous evaporation of metals, manifested in the form of pulsating explosive boiling. Modeling has shown that explosive evaporation in metals is due to the presence of a near-surface temperature maximum. It has been established that in nanosecond pulsed laser ablation, such exposure regimes can be implemented in which phase explosion is the main mechanism of material removal.

Toward Improved Fidelity of Thermal Explosion Simulations

NASA Astrophysics Data System (ADS)

Nichols, Albert; Becker, Richard; Burnham, Alan; Howard, W. Michael; Knap, Jarek; Wemhoff, Aaron

2009-06-01

We present results of an improved thermal/chemical/mechanical model of HMX based explosives like LX04 and LX10 for thermal cook-off. The original HMX model and analysis scheme were developed by Yoh et.al. for use in the ALE3D modeling framework. The improvements were concentrated in four areas. First, we added porosity to the chemical material model framework in ALE3D used to model HMX explosive formulations to handle the roughly 2% porosity in solid explosives. Second, we improved the HMX reaction network, which included the addition of a reactive phase change model base on work by Henson et.al. Third, we added early decomposition gas species to the CHEETAH material database to improve equations of state for gaseous intermediates and products. Finally, we improved the implicit mechanics module in ALE3D to more naturally handle the long time scales associated with thermal cookoff. The application of the resulting framework to the analysis of the Scaled Thermal Explosion (STEX) experiments will be discussed.

Scaled experiments of explosions in cavities

DOE PAGES

Grun, J.; Cranch, G. A.; Lunsford, R.; ...

2016-05-11

Consequences of an explosion inside an air-filled cavity under the earth's surface are partly duplicated in a laboratory experiment on spatial scales 1000 smaller. The experiment measures shock pressures coupled into a block of material by an explosion inside a gas-filled cavity therein. The explosion is generated by suddenly heating a thin foil that is located near the cavity center with a short laser pulse, which turns the foil into expanding plasma, most of whose energy drives a blast wave in the cavity gas. Variables in the experiment are the cavity radius and explosion energy. Measurements and GEODYN code simulationsmore » show that shock pressuresmeasured in the block exhibit a weak dependence on scaled cavity radius up to ~25 m/kt 1/3, above which they decrease rapidly. Possible mechanisms giving rise to this behavior are described. As a result, the applicability of this work to validating codes used to simulate full-scale cavityexplosions is discussed.« less

Understanding and Predicting the Thermal Explosion Violence of HMX-Based and RDX-Based Explosives - Experimental Measurements of Material Properties and Reaction Violence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maienschein, J L; Wardell, J F; Weese, R K

The violence of thermal explosions with energetic materials is affected by many material properties, including mechanical and thermal properties, thermal ignition kinetics, and deflagration behavior. These properties must be characterized for heated samples as well as pristine materials. We present available data for these properties for two HMX-based formulations--LX-04 and PBX-9501, and two RDX-based formulations--Composition B and PBXN-109. We draw upon separately published data on the thermal explosion violence with these materials to compare the material properties with the observed violence. We have the most extensive data on deflagration behavior of these four formulations, and we discuss the correlation ofmore » the deflagration data with the violence results. The data reported here may also be used to develop models for application in simulation codes such as ALE3D to calculate and Dredict thermal explosion violence.« less

A New Method for Determining the Equation of State of Aluminized Explosive

NASA Astrophysics Data System (ADS)

Zhou, Zheng-Qing; Nie, Jian-Xin; Guo, Xue-Yong; Wang, Qiu-Shi; Ou, Zhuo-Cheng; Jiao, Qing-Jie

2015-01-01

The time-dependent Jones—Wilkins—Lee equation of state (JWL-EOS) is applied to describe detonation state products for aluminized explosives. To obtain the time-dependent JWL-EOS parameters, cylinder tests and underwater explosion experiments are performed. According to the result of the wall radial velocity in cylinder tests and the shock wave pressures in underwater explosion experiments, the time-dependent JWL-EOS parameters are determined by iterating these variables in AUTODYN hydrocode simulations until the experimental values are reproduced. In addition, to verify the reliability of the derived JWL-EOS parameters, the aluminized explosive experiment is conducted in concrete. The shock wave pressures in the affected concrete bodies are measured by using manganin pressure sensors, and the rod velocity is obtained by using a high-speed camera. Simultaneously, the shock wave pressure and the rod velocity are calculated by using the derived time-dependent JWL equation of state. The calculated results are in good agreement with the experimental data.

Confronting Models of Massive Star Evolution and Explosions with Remnant Mass Measurements

NASA Astrophysics Data System (ADS)

Raithel, Carolyn A.; Sukhbold, Tuguldur; Özel, Feryal

2018-03-01

The mass distribution of compact objects provides a fossil record that can be studied to uncover information on the late stages of massive star evolution, the supernova explosion mechanism, and the dense matter equation of state. Observations of neutron star masses indicate a bimodal Gaussian distribution, while the observed black hole mass distribution decays exponentially for stellar-mass black holes. We use these observed distributions to directly confront the predictions of stellar evolution models and the neutrino-driven supernova simulations of Sukhbold et al. We find strong agreement between the black hole and low-mass neutron star distributions created by these simulations and the observations. We show that a large fraction of the stellar envelope must be ejected, either during the formation of stellar-mass black holes or prior to the implosion through tidal stripping due to a binary companion, in order to reproduce the observed black hole mass distribution. We also determine the origins of the bimodal peaks of the neutron star mass distribution, finding that the low-mass peak (centered at ∼1.4 M ⊙) originates from progenitors with M ZAMS ≈ 9–18 M ⊙. The simulations fail to reproduce the observed peak of high-mass neutron stars (centered at ∼1.8 M ⊙) and we explore several possible explanations. We argue that the close agreement between the observed and predicted black hole and low-mass neutron star mass distributions provides new, promising evidence that these stellar evolution and explosion models capture the majority of relevant stellar, nuclear, and explosion physics involved in the formation of compact objects.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wright, Warren P.; Nagaraj, Gautam; Kneller, James P.

It has long been recognized that the neutrinos detected from the next core-collapse supernova in the Galaxy have the potential to reveal important information about the dynamics of the explosion and the nucleosynthesis conditions as well as allowing us to probe the properties of the neutrino itself. The neutrinos emitted from thermonuclear—type Ia—supernovae also possess the same potential, although these supernovae are dimmer neutrino sources. For the first time, we calculate the time, energy, line of sight, and neutrino-flavor-dependent features of the neutrino signal expected from a three-dimensional delayed-detonation explosion simulation, where a deflagration-to-detonation transition triggers the complete disruption ofmore » a near-Chandrasekhar mass carbon-oxygen white dwarf. We also calculate the neutrino flavor evolution along eight lines of sight through the simulation as a function of time and energy using an exact three-flavor transformation code. We identify a characteristic spectral peak at ˜10 MeV as a signature of electron captures on copper. This peak is a potentially distinguishing feature of explosion models since it reflects the nucleosynthesis conditions early in the explosion. We simulate the event rates in the Super-K, Hyper-K, JUNO, and DUNE neutrino detectors with the SNOwGLoBES event rate calculation software and also compute the IceCube signal. Hyper-K will be able to detect neutrinos from our model out to a distance of ˜10 kpc. Here, at 1 kpc, JUNO, Super-K, and DUNE would register a few events while IceCube and Hyper-K would register several tens of events.« less

Smoothed particle hydrodynamics simulations of evaporation and explosive boiling of liquid drops in microgravity.

PubMed

Sigalotti, Leonardo Di G; Troconis, Jorge; Sira, Eloy; Peña-Polo, Franklin; Klapp, Jaime

2015-07-01

The rapid evaporation and explosive boiling of a van der Waals (vdW) liquid drop in microgravity is simulated numerically in two-space dimensions using the method of smoothed particle hydrodynamics. The numerical approach is fully adaptive and incorporates the effects of surface tension, latent heat, mass transfer across the interface, and liquid-vapor interface dynamics. Thermocapillary forces are modeled by coupling the hydrodynamics to a diffuse-interface description of the liquid-vapor interface. The models start from a nonequilibrium square-shaped liquid of varying density and temperature. For a fixed density, the drop temperature is increased gradually to predict the point separating normal boiling at subcritical heating from explosive boiling at the superheat limit for this vdW fluid. At subcritical heating, spontaneous evaporation produces stable drops floating in a vapor atmosphere, while at near-critical heating, a bubble is nucleated inside the drop, which then collapses upon itself, leaving a smaller equilibrated drop embedded in its own vapor. At the superheat limit, unstable bubble growth leads to either fragmentation or violent disruption of the liquid layer into small secondary drops, depending on the liquid density. At higher superheats, explosive boiling occurs for all densities. The experimentally observed wrinkling of the bubble surface driven by rapid evaporation followed by a Rayleigh-Taylor instability of the thin liquid layer and the linear growth of the bubble radius with time are reproduced by the simulations. The predicted superheat limit (T(s)≈0.96) is close to the theoretically derived value of T(s)=1 at zero ambient pressure for this vdW fluid.

Neutrinos from type Ia supernovae: The deflagration-to-detonation transition scenario

DOE PAGES

Wright, Warren P.; Nagaraj, Gautam; Kneller, James P.; ...

2016-07-19

It has long been recognized that the neutrinos detected from the next core-collapse supernova in the Galaxy have the potential to reveal important information about the dynamics of the explosion and the nucleosynthesis conditions as well as allowing us to probe the properties of the neutrino itself. The neutrinos emitted from thermonuclear—type Ia—supernovae also possess the same potential, although these supernovae are dimmer neutrino sources. For the first time, we calculate the time, energy, line of sight, and neutrino-flavor-dependent features of the neutrino signal expected from a three-dimensional delayed-detonation explosion simulation, where a deflagration-to-detonation transition triggers the complete disruption ofmore » a near-Chandrasekhar mass carbon-oxygen white dwarf. We also calculate the neutrino flavor evolution along eight lines of sight through the simulation as a function of time and energy using an exact three-flavor transformation code. We identify a characteristic spectral peak at ˜10 MeV as a signature of electron captures on copper. This peak is a potentially distinguishing feature of explosion models since it reflects the nucleosynthesis conditions early in the explosion. We simulate the event rates in the Super-K, Hyper-K, JUNO, and DUNE neutrino detectors with the SNOwGLoBES event rate calculation software and also compute the IceCube signal. Hyper-K will be able to detect neutrinos from our model out to a distance of ˜10 kpc. Here, at 1 kpc, JUNO, Super-K, and DUNE would register a few events while IceCube and Hyper-K would register several tens of events.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leskovar, Matjaz; Koncar, Bostjan

An ex-vessel steam explosion may occur when during a severe reactor accident the reactor vessel fails and the molten core pours into the water in the reactor cavity. A steam explosion is a fuel coolant interaction process where the heat transfer from the melt to water is so intense and rapid that the timescale for heat transfer is shorter than the timescale for pressure relief. This can lead to the formation of shock waves and production of missiles at later times, during the expansion of the highly pressurized water vapor, that may endanger surrounding structures. In contrast to specialized steammore » explosion CFD codes, where the steam explosion is modeled on micro-scale using fundamental averaged multiphase flow conservation equations, in the presented approach the steam explosion is modeled in a simplified manner as an expanding high-pressure pre-mixture of dispersed molten fuel, liquid water and vapor. Applying the developed steam explosion model, a comprehensive analysis of the ex-vessel steam explosion in a typical PWR reactor cavity was done using the CFD code CFX-10. At four selected locations, which are of importance for the assessment of the vulnerability of cavity structures, the pressure histories were recorded and the corresponding pressure impulses calculated. The pressure impulses determine the destructive potential of the steam explosion and represent the input for the structural mechanical analysis of the cavity structures. The simulation results show that the pressure impulses depend mainly on the steam explosion energy conversion ratio, whereas the influence of the pre-mixture vapor volume fraction, which is a parameter in our model and determines the maximum steam explosion pressure, is not significant. (authors)« less

Army Research Laboratory 2009 Annual Review

DTIC Science & Technology

2009-01-01

and in new Navy DDX and DDG ships . As a result of the high performance and low weight of composite materials, it is very likely that the Services...labs, an explosives casting lab, and it also has explosives x-ray capability . An indoor small arms shooting performance simulator with a high ...of nervous systems, rather than simply depending upon the adaptive abilities of Soldiers, and radically improve Soldier-system performance . a high

The Use of Simulators in Rules of the Road Training

DTIC Science & Technology

2013-12-01

ships and total losses (collision, contact, fire/explosion, foundering, wrecked /stranded, hull/machinery, missing and other) (from Sampson et al...number of ships and total losses (collision, contact, fire/explosion, foundering, wrecked /stranded, hull/machinery, missing and other) (from Sampson...another vessel at night, it would be a vessel ___ _ o (a) aground (b) constrained by her draft o (c) dredging o (d) moored over a wreck Post

Development and Application of a Computational Shear Band Model.

DTIC Science & Technology

1980-03-01

for the joint in the two parts of the case. The primary explosive in the fuse is CH6 and the secondary explosive is PBXN 106 . The simulation includes...FRAGMENTING ROUNDS INCLUDING SHEAR BANDING (Concluded) TH IS ?A r ’ B 93T QUALI Ty PA~ fWi Wry±~ iU~’.i1 SH.JI TO DC ~ 106 C SHEAlil 3 c I4OwlTIN FOR

Explosively driven air blast in a conical shock tube

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stewart, Joel B., E-mail: joel.b.stewart2.civ@mail.mil; Pecora, Collin, E-mail: collin.r.pecora.civ@mail.mil

2015-03-15

Explosively driven shock tubes present challenges in terms of safety concerns and expensive upkeep of test facilities but provide more realistic approximations to the air blast resulting from free-field detonations than those provided by gas-driven shock tubes. Likewise, the geometry of conical shock tubes can naturally approximate a sector cut from a spherically symmetric blast, leading to a better agreement with the blast profiles of free-field detonations when compared to those provided by shock tubes employing constant cross sections. The work presented in this article documents the design, fabrication, and testing of an explosively driven conical shock tube whose goalmore » was to closely replicate the blast profile seen from a larger, free-field detonation. By constraining the blast through a finite area, large blasts (which can add significant damage and safety constraints) can be simulated using smaller explosive charges. The experimental data presented herein show that a close approximation to the free-field air blast profile due to a 1.5 lb charge of C4 at 76 in. can be achieved by using a 0.032 lb charge in a 76-in.-long conical shock tube (which translates to an amplification factor of nearly 50). Modeling and simulation tools were used extensively in designing this shock tube to minimize expensive fabrication costs.« less

The Effects of Interactive Stratospheric Chemistry on Antarctic and Southern Ocean Climate Change in an AOGCM

NASA Technical Reports Server (NTRS)

Li, Feng; Newman, Paul; Pawson, Steven; Waugh, Darryn

2014-01-01

Stratospheric ozone depletion has played a dominant role in driving Antarctic climate change in the last decades. In order to capture the stratospheric ozone forcing, many coupled atmosphere-ocean general circulation models (AOGCMs) prescribe the Antarctic ozone hole using monthly and zonally averaged ozone field. However, the prescribed ozone hole has a high ozone bias and lacks zonal asymmetry. The impacts of these biases on model simulations, particularly on Southern Ocean and the Antarctic sea ice, are not well understood. The purpose of this study is to determine the effects of using interactive stratospheric chemistry instead of prescribed ozone on Antarctic and Southern Ocean climate change in an AOGCM. We compare two sets of ensemble simulations for the 1960-2010 period using different versions of the Goddard Earth Observing System 5 - AOGCM: one with interactive stratospheric chemistry, and the other with prescribed monthly and zonally averaged ozone and 6 other stratospheric radiative species calculated from the interactive chemistry simulations. Consistent with previous studies using prescribed sea surface temperatures and sea ice concentrations, the interactive chemistry runs simulate a deeper Antarctic ozone hole and consistently larger changes in surface pressure and winds than the prescribed ozone runs. The use of a coupled atmosphere-ocean model in this study enables us to determine the impact of these surface changes on Southern Ocean circulation and Antarctic sea ice. The larger surface wind trends in the interactive chemistry case lead to larger Southern Ocean circulation trends with stronger changes in northerly and westerly surface flow near the Antarctica continent and stronger upwelling near 60S. Using interactive chemistry also simulates a larger decrease of sea ice concentrations. Our results highlight the importance of using interactive chemistry in order to correctly capture the influences of stratospheric ozone depletion on climate change over Antarctic and the Southern Ocean.

Low temperature surface chemistry and nanostructures

NASA Astrophysics Data System (ADS)

Sergeev, G. B.; Shabatina, T. I.

2002-03-01

The new scientific field of low temperature surface chemistry, which combines the low temperature chemistry (cryochemistry) and surface chemistry approaches, is reviewed in this paper. One of the most exciting achievements in this field of science is the development of methods to create highly ordered hybrid nanosized structures on different organic and inorganic surfaces and to encapsulate nanosized metal particles in organic and polymer matrices. We consider physical and chemical behaviour for the systems obtained by co-condensation of the components vapours on the surfaces cooled down to 4-10 and 70-100 K. In particular the size effect of both types, the number of atoms in the reactive species structure and the thickness of growing co-condensate film, on the chemical activity of the system is analysed in detail. The effect of the internal mechanical stresses on the growing interfacial co-condensate film formation and on the generation of fast (explosive) spontaneous reactions at low temperatures is discussed. The examples of unusual chemical interactions of metal atoms, clusters and nanosized particles, obtained in co-condensate films on the cooled surfaces under different conditions, are presented. The examples of highly ordered surface and volume hybrid nanostructures formation are analysed.

Response Mechanism: Blast/Fire Interactions.

DTIC Science & Technology

1983-11-01

A WORK UNIT NUMBERS University of Notre Dame Notre Dame, IN L FEMA WU No. 2564H ItI. CONTROLLING OFFICE NAME AND ADDRESS 12. REPORT DATE Fedqral...Fires 9 Class A Fires 10 Control by Physics or Chemistry? 11 Conments 14 EXTINCTION AND IGNITION 15 Pool Fire 15 Analysis 17 Charring Solid Fire 21...post-explosion time, although its magnitude may make the efforts to control appear futile in the wake of a nuclear attack. There is considerable

On the violence of thermal explosion in solid explosives

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chidester, S.K.; Tarver, C.M.; Green, L.G.

Heavily confined cylinders of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and triaminotrinitrobenzene (TATB) were heated at rates varying from 2 C/min to 3.3 C/h. Fourteen of the cylinders were hollow, and inner metallic liners with small heaters attached were used to produce uniform temperatures just prior to explosion. A complex thermocouple pattern was used to measure the temperature history throughout the charge and to determine the approximate location where the runaway exothermic reaction first occurred. The violence of the resulting explosion was measured using velocity pin arrays placed inside and outside of the metal confinement cylinders, flash x-rays, overpressure gauges, and fragment collection techniques.more » Five cylinders were intentionally detonated for violence comparisons. The measured temperature histories, times to explosion, and the locations of first reaction agreed closely with those calculated by a two-dimensional heat transfer code using multistep chemical decomposition models. The acceleration of the confining metal cylinders by the explosion process was accurately simulated using a two-dimensional pressure dependent deflagration reactive flow hydrodynamic mode. The most violent HMX thermal explosions gradually accelerated their outer cases to velocities approaching those of intentional detonations approximately 120 {micro}m after the onset of explosion. The measured inner cylinder collapse velocities from thermal explosions were considerably lower than those produced by detonations. In contrast to the HMX thermal reactions, no violent thermal explosions were produced by the TATB-based explosive LX-17. A heavily confined, slowly heated LX-17 test produced sufficient pressure to cause a 0.1 cm bend in a 2 cm thick steel plate.« less

Compressible Heating in the Condense Phase due to Pore Collapse in HMX

NASA Astrophysics Data System (ADS)

Zhang, Ju; Jackson, Thomas

Axisymmetric pore collapse in HMX is studied numerically by solving multi-phase reactive Euler equations. The generation of hot spots in the condense phase due to compressible heating is examined. The motivation is to improve the understanding of the role of embedded cavities in the initiation of reaction in explosives, and to investigate the effect of hot spots in the condense phase due to compressible heating alone, complementing previous study on hot spots due to the reaction in the gas phase and at the interface. It is found that the shock-cavity interaction results in pressures and thus temperatures that are substantially higher than the post-shock values in the condense phase. However, these hot spots in the condense phase due to compressible heating alone do not seem to be sufficiently hot to lead to ignition at shock pressures of 1-3 GPa. Thus, compressible heating in the condense phase may be excluded as a mechanism for initiation of explosives. It should be pointed out that the ignition threshold for the temperature, the so-called ``switch-on'' temperature, of hot spots depend on chemistry kinetics parameters. Switch-on temperature is lower for faster reaction rate. The current chemistry kinetics parameters are based on previous experimental work. This work was supported in part by the Defense Threat Reduction Agency and by the U.S. Department of Energy.

The quantitative studies on gas explosion suppression by an inert rock dust deposit.

PubMed

Song, Yifan; Zhang, Qi

2018-07-05

The traditional defence against propagating gas explosions is the application of dry rock dust, but not much quantitative study on explosion suppression of rock dust has been made. Based on the theories of fluid dynamics and combustion, a simulated study on the propagation of premixed gas explosion suppressed by deposited inert rock dust layer is carried out. The characteristics of the explosion field (overpressure, temperature, flame speed and combustion rate) at different deposited rock dust amounts are investigated. The flame in the pipeline cannot be extinguished when the deposited rock dust amount is less than 12 kg/m 3 . The effects of suppressing gas explosion become weak when the deposited rock dust amount is greater than 45 kg/m 3 . The overpressure decreases with the increase of the deposited rock dust amounts in the range of 18-36 kg/m 3 and the flame speed and the flame length show the same trends. When the deposited rock dust amount is 36 kg/m 3 , the overpressure can be reduced by 40%, the peak flame speed by 50%, and the flame length by 42% respectively, compared with those of the gas explosion of stoichiometric mixture. In this model, the effective raised dust concentrations to suppress explosion are 2.5-3.5 kg/m 3 . Copyright © 2018 Elsevier B.V. All rights reserved.

Evaluation of electrical conductivity of Cu and Al through sub microsecond underwater electrical wire explosion

NASA Astrophysics Data System (ADS)

Sheftman, D.; Shafer, D.; Efimov, S.; Krasik, Ya. E.

2012-03-01

Sub-microsecond timescale underwater electrical wire explosions using Cu and Al materials have been conducted. Current and voltage waveforms and time-resolved streak images of the discharge channel, coupled to 1D magneto-hydrodynamic simulations, have been used to determine the electrical conductivity of the metals for the range of conditions between hot liquid metal and strongly coupled non-ideal plasma, in the temperature range of 10-60 KK. The results of these studies showed that the conductivity values obtained are typically lower than those corresponding to modern theoretical electrical conductivity models and provide a transition between the conductivity values obtained in microsecond time scale explosions and those obtained in nanosecond time scale wire explosions. In addition, the measured wire expansion shows good agreement with equation of state tables.

Synthesis, Characterization, and Multimillion-Atom Simulation of Halogen-Based Energetic Materials for Agent Defeat

DTIC Science & Technology

2013-04-01

DTRA-TR-13-23 Synthesis, Characterization, and Multimillion -Atom Simulation of Halogen-Based Energetic Materials for Agent Defeat Approved for...reagents for the destruction of biologically active materials and a simulation of their reactions on a multimillion atom scale with quantum...explosives for destruction of chemical & biological agents. Multimillion -atom molecular dynamics simulations with quantum mechanical accuracy were

Influence of hot spot features on the shock initiation of heterogenous nitromethane

NASA Astrophysics Data System (ADS)

Dattelbaum, Dana; Sheffield, Stephen; Stahl, David; Dattelbaum, Andrew

2009-06-01

The shock initiation sensitivity of heterogeneous explosives is known to be strongly related to the confluence of ``hot spots'' or localized regions of high pressure and temperature. Physical origins of hot spots within a material include dynamic pore collapse, friction from motion along closed cracks, and wave reflections from other in situ interfaces. A complex interplay among numerous physical and chemical factors, spanning several length scales, determines whether or not a hot spot will quench or lead to initiation. To further elucidate key features of hot spots on energetic materials sensitivity and initiation mechanisms, we have intentionally introduced well-defined particles into the homogeneous liquid explosive nitromethane which has been gelled so the particles are somewhat stationary. Gas-gun driven shock initiation experiments using embedded electromagnetic gauging methods have been performed on these materials, revealing new insights into the role of heterogeneities on the sensitivity of the explosives through shock input-to-run distance relationships (Pop-plots), and reactive chemistry growth in and behind the incident shock front. By logically mapping out these relationships, the data provide a scientific foundation for the development of predictive capabilities for modeling new formulations, and designing next-generation energetic materials.

Simulation of tropospheric chemistry and aerosols with the climate model EC-Earth

NASA Astrophysics Data System (ADS)

van Noije, T. P. C.; Le Sager, P.; Segers, A. J.; van Velthoven, P. F. J.; Krol, M. C.; Hazeleger, W.

2014-03-01

We have integrated the atmospheric chemistry and transport model TM5 into the global climate model EC-Earth version 2.4. We present an overview of the TM5 model and the two-way data exchange between TM5 and the integrated forecasting system (IFS) model from the European Centre for Medium-Range Weather Forecasts (ECMWF), the atmospheric general circulation model of EC-Earth. In this paper we evaluate the simulation of tropospheric chemistry and aerosols in a one-way coupled configuration. We have carried out a decadal simulation for present-day conditions and calculated chemical budgets and climatologies of tracer concentrations and aerosol optical depth. For comparison we have also performed offline simulations driven by meteorological fields from ECMWF's ERA-Interim reanalysis and output from the EC-Earth model itself. Compared to the offline simulations, the online-coupled system produces more efficient vertical mixing in the troposphere, which likely reflects an improvement of the treatment of cumulus convection. The chemistry in the EC-Earth simulations is affected by the fact that the current version of EC-Earth produces a cold bias with too dry air in large parts of the troposphere. Compared to the ERA-Interim driven simulation, the oxidizing capacity in EC-Earth is lower in the tropics and higher in the extratropics. The methane lifetime is 7% higher in EC-Earth, but remains well within the range reported in the literature. We evaluate the model by comparing the simulated climatologies of surface carbon monoxide, tropospheric and surface ozone, and aerosol optical depth against observational data. The work presented in this study is the first step in the development of EC-Earth into an Earth system model with fully interactive atmospheric chemistry and aerosols.

Synthetic Seismograms of Explosive Sources Calculated by the Earth Simulator

NASA Astrophysics Data System (ADS)

Tsuboi, S.; Matsumoto, H.; Rozhkov, M.; Stachnik, J.

2017-12-01

We calculate broadband synthetic seismograms using the spectral-element method (Komatitsch & Tromp, 2001) for recent explosive events in northern Korean peninsula. We use supercomputer Earth Simulator system in JAMSTEC to compute synthetic seismograms using the spectral-element method. The simulations are performed on 8,100 processors, which require 2,025 nodes of the Earth Simulator. We use one chunk with the angular distance 40 degrees to compute synthetic seismograms. On this number of nodes, a simulation of 5 minutes of wave propagation accurate at periods of 1.5 seconds and longer requires about 10 hours of CPU time. We use CMT solution of Rozhkov et al (2016) as a source model for this event. One example of CMT solution for this source model has 28% double couple component and 51% isotropic component. The hypocenter depth of this solution is 1.4 km. Comparisons of the synthetic waveforms with the observation show that the arrival time of Pn and Pg waves matches well with the observation. Comparison also shows that the agreement of amplitude of other phases is not necessarily well, which demonstrates that the crustal structure should be improved to include in the simulation. The surface waves observed are also modeled well in the synthetics, which shows that the CMT solution we have used for this computation correctly grasps the source characteristics of this event. Because of characteristics of artificial explosive sources of which hypocenter location is already known, we may evaluate crustal structure along the propagation path from the waveform modeling for these sources. We may discuss the limitation of one dimensional crustal structure model by comparing the synthetic waveform of 3D crustal structure and the observed seismograms.

Earth System Chemistry integrated Modelling (ESCiMo) with the Modular Earth Submodel System (MESSy) version 2.51

NASA Astrophysics Data System (ADS)

Jöckel, Patrick; Tost, Holger; Pozzer, Andrea; Kunze, Markus; Kirner, Oliver; Brenninkmeijer, Carl A. M.; Brinkop, Sabine; Cai, Duy S.; Dyroff, Christoph; Eckstein, Johannes; Frank, Franziska; Garny, Hella; Gottschaldt, Klaus-Dirk; Graf, Phoebe; Grewe, Volker; Kerkweg, Astrid; Kern, Bastian; Matthes, Sigrun; Mertens, Mariano; Meul, Stefanie; Neumaier, Marco; Nützel, Matthias; Oberländer-Hayn, Sophie; Ruhnke, Roland; Runde, Theresa; Sander, Rolf; Scharffe, Dieter; Zahn, Andreas

2016-03-01

Three types of reference simulations, as recommended by the Chemistry-Climate Model Initiative (CCMI), have been performed with version 2.51 of the European Centre for Medium-Range Weather Forecasts - Hamburg (ECHAM)/Modular Earth Submodel System (MESSy) Atmospheric Chemistry (EMAC) model: hindcast simulations (1950-2011), hindcast simulations with specified dynamics (1979-2013), i.e. nudged towards ERA-Interim reanalysis data, and combined hindcast and projection simulations (1950-2100). The manuscript summarizes the updates of the model system and details the different model set-ups used, including the on-line calculated diagnostics. Simulations have been performed with two different nudging set-ups, with and without interactive tropospheric aerosol, and with and without a coupled ocean model. Two different vertical resolutions have been applied. The on-line calculated sources and sinks of reactive species are quantified and a first evaluation of the simulation results from a global perspective is provided as a quality check of the data. The focus is on the intercomparison of the different model set-ups. The simulation data will become publicly available via CCMI and the Climate and Environmental Retrieval and Archive (CERA) database of the German Climate Computing Centre (DKRZ). This manuscript is intended to serve as an extensive reference for further analyses of the Earth System Chemistry integrated Modelling (ESCiMo) simulations.

A hypervelocity launcher for simulated large fragment space debris impacts at 10 km/s

NASA Technical Reports Server (NTRS)

Tullos, R. J.; Gray, W. M.; Mullin, S. A.; Cour-Palais, B. G.

1989-01-01

The background, design, and testing of two explosive launchers for simulating large fragment space debris impacts are presented. The objective was to develop a launcher capable of launching one gram aluminum fragments at velocities of 10 km/s. The two launchers developed are based on modified versions of an explosive shaped charge, common in many military weapons. One launcher design has yielded a stable fragment launch of approximately one gram of aluminum at 8.93 km/s velocity. The other design yielded velocities in excess of 10 km/s, but failed to produce a cohesive fragment launch. This work is ongoing, and future plans are given.

Simulation of Aerosols and Chemistry with a Unified Global Model

NASA Technical Reports Server (NTRS)

Chin, Mian

2004-01-01

This project is to continue the development of the global simulation capabilities of tropospheric and stratospheric chemistry and aerosols in a unified global model. This is a part of our overall investigation of aerosol-chemistry-climate interaction. In the past year, we have enabled the tropospheric chemistry simulations based on the GEOS-CHEM model, and added stratospheric chemical reactions into the GEOS-CHEM such that a globally unified troposphere-stratosphere chemistry and transport can be simulated consistently without any simplifications. The tropospheric chemical mechanism in the GEOS-CHEM includes 80 species and 150 reactions. 24 tracers are transported, including O3, NOx, total nitrogen (NOy), H2O2, CO, and several types of hydrocarbon. The chemical solver used in the GEOS-CHEM model is a highly accurate sparse-matrix vectorized Gear solver (SMVGEAR). The stratospheric chemical mechanism includes an additional approximately 100 reactions and photolysis processes. Because of the large number of total chemical reactions and photolysis processes and very different photochemical regimes involved in the unified simulation, the model demands significant computer resources that are currently not practical. Therefore, several improvements will be taken, such as massive parallelization, code optimization, or selecting a faster solver. We have also continued aerosol simulation (including sulfate, dust, black carbon, organic carbon, and sea-salt) in the global model to cover most of year 2002. These results have been made available to many groups worldwide and accessible from the website http://code916.gsfc.nasa.gov/People/Chin/aot.html.

Influence of Small Change of Porosity on Shock Initiation of an HMX/TATB/Viton Explosive and Ignition and Growth Modeling

NASA Astrophysics Data System (ADS)

Liu, Yan; Hussain, Tariq; Huang, Fenglei; Duan, Zhuoping

2016-07-01

All solid explosives in practical use are more or less porous. Although it is known that the change in porosity affects the shock sensitivity of solid explosives, the effect of small changes in porosity on the sensitivity needs to be determined for safe and efficient use of explosive materials. In this study, the influence of a small change in porosity on shock initiation and the subsequent detonation growth process of a plastic-bonded explosive PBXC03, composed of 87% cyclotetramethylene-tetranitramine (HMX), 7% triaminotrinitrobenzene (TATB), and 6% Viton by weight, are investigated by shock to detonation transition experiments. Two explosive formulations of PBXC03 having the same initial grain sizes pressed to 98 and 99% of theoretical mass density (1.873 g/cm3) respectively are tested using the in situ manganin piezoresistive pressure gauge technique. Numerical modeling of the experiments is performed using an ignition and growth reactive flow model. Reasonable agreement with the experimental results is obtained by increasing the growth term coefficient in the Lee-Tarver ignition and growth model with porosity. Combining the experimental and simulation results shows that the shock sensitivity increases with porosity for PBXC03 having the same explosive initial grain sizes for the pressures (about 3.1 GPa) applied in the experiments.

Towards a predictive thermal explosion model for energetic materials

NASA Astrophysics Data System (ADS)

Yoh, Jack J.; McClelland, Matthew A.; Maienschein, Jon L.; Wardell, Jeffrey F.

2005-01-01

We present an overview of models and computational strategies for simulating the thermal response of high explosives using a multi-physics hydrodynamics code, ALE3D. Recent improvements to the code have aided our computational capability in modeling the behavior of energetic materials systems exposed to strong thermal environments such as fires. We apply these models and computational techniques to a thermal explosion experiment involving the slow heating of a confined explosive. The model includes the transition from slow heating to rapid deflagration in which the time scale decreases from days to hundreds of microseconds. Thermal, mechanical, and chemical effects are modeled during all phases of this process. The heating stage involves thermal expansion and decomposition according to an Arrhenius kinetics model while a pressure-dependent burn model is employed during the explosive phase. We describe and demonstrate the numerical strategies employed to make the transition from slow to fast dynamics. In addition, we investigate the sensitivity of wall expansion rates to numerical strategies and parameters. Results from a one-dimensional model show that violence is influenced by the presence of a gap between the explosive and container. In addition, a comparison is made between 2D model and measured results for the explosion temperature and tube wall expansion profiles.

Multiscale Simulations of ALD in Cross Flow Reactors

DOE PAGES

Yanguas-Gil, Angel; Libera, Joseph A.; Elam, Jeffrey W.

2014-08-13

In this study, we have developed a multiscale simulation code that allows us to study the impact of surface chemistry on the coating of large area substrates with high surface area/high aspect-ratio features. Our code, based on open-source libraries, takes advantage of the ALD surface chemistry to achieve an extremely efficient two-way coupling between reactor and feature length scales, and it can provide simulated quartz crystal microbalance and mass spectrometry data at any point of the reactor. By combining experimental surface characterization with simple analysis of growth profiles in a tubular cross flow reactor, we are able to extract amore » minimal set of reactions to effectively model the surface chemistry, including the presence of spurious CVD, to evaluate the impact of surface chemistry on the coating of large, high surface area substrates.« less

Diagnostic Analysis of Ozone Concentrations Simulated by Two Regional-Scale Air Quality Models

EPA Science Inventory

Since the Community Multiscale Air Quality modeling system (CMAQ) and the Weather Research and Forecasting with Chemistry model (WRF/Chem) use different approaches to simulate the interaction of meteorology and chemistry, this study compares the CMAQ and WRF/Chem air quality simu...

Theoretical Chemistry Comes Alive: Full Partner with Experiment.

ERIC Educational Resources Information Center

Goddard, William A., III

1985-01-01

The expected thrust for theoretical chemistry in the next decade will be to combine knowledge of fundamental chemical steps/interactions with advances in chemical dynamics, irreversible statistical mechanics, and computer technology to produce simulations of chemical systems with reaction site competition. A sample simulation (using the enzyme…

Step-by-Step Simulation of Radiation Chemistry Using Green Functions for Diffusion-Influenced Reactions

NASA Technical Reports Server (NTRS)

Plante, Ianik; Cucinotta, Francis A.

2011-01-01

Radiolytic species are formed approximately 1 ps after the passage of ionizing radiation through matter. After their formation, they diffuse and chemically react with other radiolytic species and neighboring biological molecules, leading to various oxidative damage. Therefore, the simulation of radiation chemistry is of considerable importance to understand how radiolytic species damage biological molecules [1]. The step-by-step simulation of chemical reactions is difficult, because the radiolytic species are distributed non-homogeneously in the medium. Consequently, computational approaches based on Green functions for diffusion-influenced reactions should be used [2]. Recently, Green functions for more complex type of reactions have been published [3-4]. We have developed exact random variate generators of these Green functions [5], which will allow us to use them in radiation chemistry codes. Moreover, simulating chemistry using the Green functions is which is computationally very demanding, because the probabilities of reactions between each pair of particles should be evaluated at each timestep [2]. This kind of problem is well adapted for General Purpose Graphic Processing Units (GPGPU), which can handle a large number of similar calculations simultaneously. These new developments will allow us to include more complex reactions in chemistry codes, and to improve the calculation time. This code should be of importance to link radiation track structure simulations and DNA damage models.

Development of the Quality Assurance/Quality Control Procedures for a Neutron Interrogation System

NASA Astrophysics Data System (ADS)

Obhođaš, Jasmina; Sudac, Davorin; Valković, Vladivoj

2016-06-01

In order to perform Quality Assurance/Quality Control (QA/QC) procedures for a system dedicated to the neutron interrogation of objects for the presence of threat materials one needs to perform measurements of reference materials (RM) i.e. simulants having the same (or similar) atomic ratios as real materials. It is well known that explosives, drugs, and various other benign materials, contain chemical elements such as hydrogen, oxygen, carbon and nitrogen in distinctly different quantities. For example, a high carbon-to-oxygen ratio (C/O) is characteristic of drugs. Explosives can be differentiated by measurement of both (C/O) and nitrogen-to-oxygen (N/O) ratios. The C/N ratio of the chemical warfare agents, coupled with the measurement of elements such as fluorine and phosphorus, clearly differentiate them from the conventional explosives. Here we present the RM preparation, calibration procedure and correlations attained between theoretical values and experimentally obtained results in laboratory conditions for C/O and N/C ratios of prepared hexogen (RDX), TNT, DLM2, TATP, cocaine, heroin, yperite, tetranitromethane, peroxide methylethylketone, nitromethane and ethyleneglycol dinitrate simulants. We have shown that analyses of the gamma ray spectra by using simple unfolding model developed for this purpose gave a nice agreement with the chemical formula of created simulants, thus the calibration quality was successfully tested.

Three-dimensional simulation and auto-stereoscopic 3D display of the battlefield environment based on the particle system algorithm

NASA Astrophysics Data System (ADS)

Ning, Jiwei; Sang, Xinzhu; Xing, Shujun; Cui, Huilong; Yan, Binbin; Yu, Chongxiu; Dou, Wenhua; Xiao, Liquan

2016-10-01

The army's combat training is very important now, and the simulation of the real battlefield environment is of great significance. Two-dimensional information has been unable to meet the demand at present. With the development of virtual reality technology, three-dimensional (3D) simulation of the battlefield environment is possible. In the simulation of 3D battlefield environment, in addition to the terrain, combat personnel and the combat tool ,the simulation of explosions, fire, smoke and other effects is also very important, since these effects can enhance senses of realism and immersion of the 3D scene. However, these special effects are irregular objects, which make it difficult to simulate with the general geometry. Therefore, the simulation of irregular objects is always a hot and difficult research topic in computer graphics. Here, the particle system algorithm is used for simulating irregular objects. We design the simulation of the explosion, fire, smoke based on the particle system and applied it to the battlefield 3D scene. Besides, the battlefield 3D scene simulation with the glasses-free 3D display is carried out with an algorithm based on GPU 4K super-multiview 3D video real-time transformation method. At the same time, with the human-computer interaction function, we ultimately realized glasses-free 3D display of the simulated more realistic and immersed 3D battlefield environment.

Effects of high shock pressures and pore morphology on hot spot mechanisms in HMX

NASA Astrophysics Data System (ADS)

Springer, H. K.; Tarver, C. M.; Bastea, S.

2017-01-01

The shock initiation and detonation behavior of heterogeneous solid explosives is governed by its microstructure and reactive properties. New additive manufacturing techniques offer unprecedented control of explosive microstructures previously impossible, enabling us to develop novel explosives with tailored shock sensitivity and detonation properties. Since microstructure-performance relationships are not well established for explosives, there is little material design guidance for these manufacturing techniques. In this study, we explore the effects of high shock pressures (15-38 GPa) with long shock durations and different pore morphologies on hot spot mechanisms in HMX. HMX is chosen as the model material because we have experimental data on many of the chemical-thermal-mechanical properties required for pore collapse simulations. Our simulations are performed using the multi-physics arbitrary Lagrangian Eulerian finite element hydrocode, ALE3D, with Cheetah-based models for the unreacted and the product equation-of-states. We use a temperature-dependent specific heat with the unreacted equation-of-state and a temperature-dependent viscosity model to ensure accurate shock temperatures for subsequent chemistry. The Lindemann Law model is used for shock melting in HMX. In contrast to previous pore collapse studies at lower shock pressures (≤10 GPa) in HMX and shorter post-collapse burning times, our calculations show that shock melting occurs above 15 GPa due to higher bulk heating and a prominent elongated ("jet-like") hot spot region forms at later times. The combination of the elongated, post-collapse hot spot region and the higher bulk heating with increasing pressure dramatically increases the growth rate of reaction. Our calculations show that the reaction rate, dF/dt, increases with increasing shock pressure. We decompose the reaction rate into ignition ((dF/dt)ig) and growth ((dF/dt)gr) phases to better analyze our results. We define the ignition phase to primarily include pore collapse and growth phase to primarily include post-collapse grain burning. We are able to track late-time, post-collapse burning due to the unique loading conditions employed in these calculations. We find that (dF/dt)gr > (dF/dt)ig for all pressures considered. (dF/dt)gr changes more significantly from 25 to 38 GPa (from 0.05/µs to >10-100/µs) than from 15 to 25 GPa (from 0.005/µs to 0.05/µs). There is a three order-of-magnitude difference in the reaction from 15 to 38 GPa just after pore collapse. This is qualitatively consistent with fitting the (macroscopic) Ignition and Growth model to high pressure shock initiation data, where much larger reaction fractions are needed to capture the early stages of reaction. Calculated burn rates demonstrate better agreement with data at intermediate times in the growth phase for 15 to 25 GPa and late times for 30 GPa then at any time in the growth phase for 38 GPa. Our calculations are much higher than burn rate data at the earliest times in the growth phase for all pressures, which may reflect the higher localized pressures and temperatures just after pore collapse in the ignition phase. Our calculations with spherical, conical, and elliptical pores show that the influence of morphology on reaction rate is pressure dependent and the most influential pore shapes at lower pressures aren't the same at higher pressures in the regime studied. Altogether these studies provide the basis for developing microstructure-aware models that can be used to design new explosives with optimal performance-safety characteristics. Such models can be used to guide additive manufacturing of explosives and fully exploit their disruptive nature.

Characterization and Performance Evaluation of an HPXe Detector for Nuclear Explosion Monitoring Applications

DTIC Science & Technology

2007-09-01

performance of the detector, and to compare the performance with sodium iodide and germanium detectors. Monte Carlo ( MCNP ) simulation was used to...aluminum ~50% more efficient), and to estimate optimum shield dimensions for an HPXe based nuclear explosion monitor. MCNP modeling was also used to...detector were calculated with MCNP by using input activity levels as measured in routine NEM runs at Pacific Northwest National Laboratory (PNNL

Generation of High-Frequency P and S Wave Energy by Rock Fracture During a Buried Explosion

DTIC Science & Technology

2015-07-20

symmetry is broken. Spherical symmetry is broken by the following: tectonic pre-stress, preferred orientation of pre-existing fractures (anisotropic rock...generated by laboratory explosions in plates of “candy glass”. Candy glass (or break-away glass) is used in the movie industry to simulate glass fracture in...9 4.1. Experimental Results – Candy-Glass Plates .......................................................9 4.2. Measurements of the Mechanical

UNIFYING THE ZOO OF JET-DRIVEN STELLAR EXPLOSIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lazzati, Davide; Blackwell, Christopher H.; Morsony, Brian J.

We present a set of numerical simulations of stellar explosions induced by relativistic jets emanating from a central engine sitting at the center of compact, dying stars. We explore a wide range of durations of the central engine activity, two candidate stellar progenitors, and two possible values of the total energy release. We find that even if the jets are narrowly collimated, their interaction with the star unbinds the stellar material, producing a stellar explosion. We also find that the outcome of the explosion can be very different depending on the duration of the engine activity. Only the longest-lasting enginesmore » result in successful gamma-ray bursts. Engines that power jets only for a short time result in relativistic supernova (SN) explosions, akin to observed engine-driven SNe such as SN2009bb. Engines with intermediate durations produce weak gamma-ray bursts, with properties similar to nearby bursts such as GRB 980425. Finally, we find that the engines with the shortest durations, if they exist in nature, produce stellar explosions that lack sizable amounts of relativistic ejecta and are therefore dynamically indistinguishable from ordinary core-collapse SNe.« less

Cluster evolution during the early stages of heating explosives and its relationship to sensitivity: a comparative study of TATB, β-HMX and PETN by molecular reactive force field simulations.

PubMed

Wen, Yushi; Zhang, Chaoyang; Xue, Xianggui; Long, Xinping

2015-05-14

Clustering is experimentally and theoretically verified during the complicated processes involved in heating high explosives, and has been thought to influence their detonation properties. However, a detailed description of the clustering that occurs has not been fully elucidated. We used molecular dynamic simulations with an improved reactive force field, ReaxFF_lg, to carry out a comparative study of cluster evolution during the early stages of heating for three representative explosives: 1,3,5-triamino-2,4,6-trinitrobenzene (TATB), β-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and pentaerythritol tetranitrate (PETN). These representatives vary greatly in their oxygen balance (OB), molecular structure, stability and experimental sensitivity. We found that when heated, TATB, HMX and PETN differ in the size, amount, proportion and lifetime of their clusters. We also found that the clustering tendency of explosives decreases as their OB becomes less negative. We propose that the relationship between OB and clustering can be attributed to the role of clustering in detonation. That is, clusters can form more readily in a high explosive with a more negative OB, which retard its energy release, secondary decomposition, further decomposition to final small molecule products and widen its detonation reaction zone. Moreover, we found that the carbon content of the clusters increases during clustering, in accordance with the observed soot, which is mainly composed of carbon as the final product of detonation or deflagration.

Modelling alkali metal emissions in large-eddy simulation of a preheated pulverised-coal turbulent jet flame using tabulated chemistry

NASA Astrophysics Data System (ADS)

Wan, Kaidi; Xia, Jun; Vervisch, Luc; Liu, Yingzu; Wang, Zhihua; Cen, Kefa

2018-03-01

The numerical modelling of alkali metal reacting dynamics in turbulent pulverised-coal combustion is discussed using tabulated sodium chemistry in large eddy simulation (LES). A lookup table is constructed from a detailed sodium chemistry mechanism including five sodium species, i.e. Na, NaO, NaO2, NaOH and Na2O2H2, and 24 elementary reactions. This sodium chemistry table contains four coordinates, i.e. the equivalence ratio, the mass fraction of the sodium element, the gas-phase temperature, and a progress variable. The table is first validated against the detailed sodium chemistry mechanism by zero-dimensional simulations. Then, LES of a turbulent pulverised-coal jet flame is performed and major coal-flame parameters compared against experiments. The chemical percolation devolatilisation (CPD) model and the partially stirred reactor (PaSR) model are employed to predict coal pyrolysis and gas-phase combustion, respectively. The response of the five sodium species in the pulverised-coal jet flame is subsequently examined. Finally, a systematic global sensitivity analysis of the sodium lookup table is performed and the accuracy of the proposed tabulated sodium chemistry approach has been calibrated.

Locating S-wave sources for the SPE-5 explosion using time reversal methods and a close-in, 1000 sensor network

NASA Astrophysics Data System (ADS)

Myers, S. C.; Pitarka, A.; Mellors, R. J.

2016-12-01

The Source Physics Experiment (SPE) is producing new data to study the generation of seismic waves from explosive sources. Preliminary results show that far-field S-waves are generated both within the non-elastic volume surrounding explosive sources and by P- to S-wave scattering. The relative contribution of non-elastic phenomenology and elastic-wave scattering to far-field S-waves has been debated for decades, and numerical simulations based on the SPE experiments are addressing this question. The match between observed and simulated data degrades with event-station distance and with increasing time in each seismogram. This suggests that a more accurate model of subsurface elastic properties could result in better agreement between observed and simulated seismograms. A detailed model of subsurface structure has been developed using geologic maps and the extensive database of borehole logs, but uncertainty in structural details remains high. The large N instrument deployment during the SPE-5 experiment offers an opportunity to use time-reversal techniques to back project the wave field into the subsurface to locate significant sources of scattered energy. The large N deployment was nominally 1000, 5 Hz sensors (500 Z and 500 3C geophones) deployed in a roughly rectangular array to the south and east of the SPE-5 shot. Sensor spacing was nominally 50 meters in the interior portion of the array and 100 meters in the outer region, with two dense lines at 25 m spacing. The array covers the major geologic boundary between the Yucca Flat basin and the granitic Climax Stock in which the SPE experiments have been conducted. Improved mapping of subsurface scatterers is expected to result in better agreement between simulated and observed seismograms and aid in our understanding of S-wave generation from explosions. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344.

Using Computer Simulations in Chemistry Problem Solving

ERIC Educational Resources Information Center

Avramiotis, Spyridon; Tsaparlis, Georgios

2013-01-01

This study is concerned with the effects of computer simulations of two novel chemistry problems on the problem solving ability of students. A control-experimental group, equalized by pair groups (n[subscript Exp] = n[subscript Ctrl] = 78), research design was used. The students had no previous experience of chemical practical work. Student…

Use of Spreadsheet Simulations in University Chemistry Education

ERIC Educational Resources Information Center

Lim, Kieran F.

2006-01-01

Students who are strong in logical-mathematical intelligence have a natural advantage in learning and understanding chemistry, which is full of abstractions that are remote from the material world. Simulations provide more-inclusive learning activities for students who are weak in logical-mathematical intelligence. A second advantage of using…

Method and Process for the Creation of Modeling and Simulation Tools for Human Crowd Behavior

DTIC Science & Technology

2014-07-23

Support• Program Executive Office Ground Combat Systems • Program Executive Office Soldier TACOM LCMC MG Michael J. Terry Assigned/Direct Support...environmental technologies and explosive ordnance disposal Fire Control: Battlefield digitization; embedded system software; aero ballistics and...MRAD – Handheld stand-off NLW operated by Control Force • Simulated Projectile Weapon • Simulated Handheld Directed Energy NLW ( VDE ) – Simulated

New software to model energy dispersive X-ray diffraction in polycrystalline materials

NASA Astrophysics Data System (ADS)

Ghammraoui, B.; Tabary, J.; Pouget, S.; Paulus, C.; Moulin, V.; Verger, L.; Duvauchelle, Ph.

2012-02-01

Detection of illicit materials, such as explosives or drugs, within mixed samples is a major issue, both for general security and as part of forensic analyses. In this paper, we describe a new code simulating energy dispersive X-ray diffraction patterns in polycrystalline materials. This program, SinFullscat, models diffraction of any object in any diffractometer system taking all physical phenomena, including amorphous background, into account. Many system parameters can be tuned: geometry, collimators (slit and cylindrical), sample properties, X-ray source and detector energy resolution. Good agreement between simulations and experimental data was obtained. Simulations using explosive materials indicated that parameters such as the diffraction angle or the energy resolution of the detector have a significant impact on the diffraction signature of the material inspected. This software will be a convenient tool to test many diffractometer configurations, providing information on the one that best restores the spectral diffraction signature of the materials of interest.

Local Infrasound Variability Related to In Situ Atmospheric Observation

NASA Astrophysics Data System (ADS)

Kim, Keehoon; Rodgers, Arthur; Seastrand, Douglas

2018-04-01

Local infrasound is widely used to constrain source parameters of near-surface events (e.g., chemical explosions and volcanic eruptions). While atmospheric conditions are critical to infrasound propagation and source parameter inversion, local atmospheric variability is often ignored by assuming homogeneous atmospheres, and their impact on the source inversion uncertainty has never been accounted for due to the lack of quantitative understanding of infrasound variability. We investigate atmospheric impacts on local infrasound propagation by repeated explosion experiments with a dense acoustic network and in situ atmospheric measurement. We perform full 3-D waveform simulations with local atmospheric data and numerical weather forecast model to quantify atmosphere-dependent infrasound variability and address the advantage and restriction of local weather data/numerical weather model for sound propagation simulation. Numerical simulations with stochastic atmosphere models also showed nonnegligible influence of atmospheric heterogeneity on infrasound amplitude, suggesting an important role of local turbulence.

The Multi-dimensional Character of Core-collapse Supernovae

DOE PAGES

Hix, W. R.; Lentz, E. J.; Bruenn, S. W.; ...

2016-03-01

Core-collapse supernovae, the culmination of massive stellar evolution, are spectacular astronomical events and the principle actors in the story of our elemental origins. Our understanding of these events, while still incomplete, centers around a neutrino-driven central engine that is highly hydrodynamically unstable. Increasingly sophisticated simulations reveal a shock that stalls for hundreds of milliseconds before reviving. Though brought back to life by neutrino heating, the development of the supernova explosion is inextricably linked to multi-dimensional fluid flows. In this paper, the outcomes of three-dimensional simulations that include sophisticated nuclear physics and spectral neutrino transport are juxtaposed to learn about themore » nature of the three-dimensional fluid flow that shapes the explosion. Comparison is also made between the results of simulations in spherical symmetry from several groups, to give ourselves confidence in the understanding derived from this juxtaposition.« less

The Foulness Multiton Air Blast Simulator. Part 3. Blast Wave Formation and Methods Used to Drive the Simulator,

DTIC Science & Technology

1980-03-01

the total energy release of the explosive driver using expanded polystyrene and at the same time, controlling the rate of release. The part played by aqueous foam in minimising irregularities in waveform also is described. (Author)

Fuel Chemistry and Combustion Distribution Effects on Rocket Engine Combustion Stability

DTIC Science & Technology

2012-01-25

by Crowe et al. (1963). The small solid rocket motors are fired into the collection tank with the nozzle [Crowe et al. (1963)] and without nozzle...explosions at the end of the droplet lifetime. Upon ignition , a neat droplet of JP-8 will burn orange, and the droplet will regress until all of the...pixel location were estimated by applying a time shift and amplitude scaling factor to the pressure measurements made at the aft end of chamber

Characterization of Explosives Processing Waste Decomposition Due to Composting. Phase 1

DTIC Science & Technology

1990-01-31

Caidwell, G. S . Fleming, R. M. Edwards, and E. T. Maestas of the Analytical Chemistry Division, L A. Kszos. L. F. Wicker, P. W. Braden, R. D. Bailey...DISTRIBUTION UNLIMITED. V =-PE.ORMING ORGANIZATION REPORT NUMBER( S ) 5. MONITORING ORGANIZATION REPORT NUMBER( S ) ORNL/TM-11573 6a. NAME OF PERFORMING...ORGANIZATIONAN (If apolicable)U.S. ARMY MEDICAL RESEARCHANES.T.PMFNT EDIA SGRD-RMI- S PROJECT ORDER NO. 89PP9921 Sc. ADDRESS (City, State, and ZIP Code) 10

Short communication: Estimation of yield stress/viscosity of molten octol

DOE PAGES

Davis, S. M.; Zerkle, D. K.

2018-05-04

Explosive HMX particles are similar in morphology and chemistry to RDX particles, the main constituent of Composition B-3 (Comp B-3). This suggests molten HMX-TNT formulations may show Bingham plasticity, much like recent studies have shown for Comp B-3. Here a Bingham plastic viscosity model, including yield stress and shear thinning, is presented for octol (70/30wt% HMX/TNT) as a function of HMX particle volume fraction. The effect of HMX dissolution into molten TNT is included in this analysis.

Short communication: Estimation of yield stress/viscosity of molten octol

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davis, S. M.; Zerkle, D. K.

Explosive HMX particles are similar in morphology and chemistry to RDX particles, the main constituent of Composition B-3 (Comp B-3). This suggests molten HMX-TNT formulations may show Bingham plasticity, much like recent studies have shown for Comp B-3. Here a Bingham plastic viscosity model, including yield stress and shear thinning, is presented for octol (70/30wt% HMX/TNT) as a function of HMX particle volume fraction. The effect of HMX dissolution into molten TNT is included in this analysis.

Summer Research of Factors Influencing High School Student’s Choice of Careers in Defense Related Engineering.

DTIC Science & Technology

1979-05-01

RESEARH DIVISION fLT COL JOEL BRADSHAW 1300 - 1400 HIGH EXPLOSIVE TESTING COMPU’rATIONAL DIVISION MR. (MI OMDDA 1 1400 - 1630 TOUR AND DEUNSTRATIONS OF...high schools. In sciences, Biology and Chemistry were the most common courses that had been taken. Physics was taken mainly by students again from the... biology ), and the other music. percent changed their senior year program following UNITE 󈨐. percent wanted to change their program but could not. Many

Ab initio Quantum Chemical Reaction Kinetics: Recent Applications in Combustion Chemistry (Briefing Charts)

DTIC Science & Technology

2015-06-28

HMX RDX  Recent Works  See Geith et al...Propellants, Explosives, Pyrotechnics, 29, 3 (2004)  ∆Hcomb(DNB) = (5195 ± 300) kJ kg-1 (bomb calorimetry and MP2/cc-pVTZ ∆Hf) cf HMX 9435 & RDX 9560 kJ...kg-1  Vd = 8660 ms-1, cf HMX 9100 & RDX 8750 ms-1  See Geith et al., Combust and Flame, 139, 358 (2004)  Recent synthesis (known since 1898 by

Short communication: Estimation of yield stress/viscosity of molten octol

NASA Astrophysics Data System (ADS)

Davis, S. M.; Zerkle, D. K.

2018-05-01

Explosive HMX particles are similar in morphology and chemistry to RDX particles, the main constituent of Composition B-3 (Comp B-3). This suggests molten HMX-TNT formulations may show Bingham plasticity, much like recent studies have shown for Comp B-3. Here a Bingham plastic viscosity model, including yield stress and shear thinning, is presented for octol (70/30wt% HMX/TNT) as a function of HMX particle volume fraction. The effect of HMX dissolution into molten TNT is included in this analysis.

Taming hazardous chemistry in flow: the continuous processing of diazo and diazonium compounds.

PubMed

Deadman, Benjamin J; Collins, Stuart G; Maguire, Anita R

2015-02-02

The synthetic utilities of the diazo and diazonium groups are matched only by their reputation for explosive decomposition. Continuous processing technology offers new opportunities to make and use these versatile intermediates at a range of scales with improved safety over traditional batch processes. In this minireview, the state of the art in the continuous flow processing of reactive diazo and diazonium species is discussed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The hard start phenomena in hypergolic engines. Volume 5: RCS engine deformation and destruct tests

NASA Technical Reports Server (NTRS)

Miron, Y.; Perlee, H. E.

1974-01-01

Tests were conducted to determine the causes of Apollo Reaction Control (RCS) engine failures. Stainless steel engines constructed for use in the destructive tests are described. The tests conducted during the three phase investigation are discussed. It was determined that the explosive reaction that destroys the RCS engines occurs at the time of engine ignition and is apparently due to either the detonation of the heterogeneous constituents of the rocket engine, consisting primarily of unreacted propellant droplets and vapors, and/or the detonation of explosive materials accumulated on the engine walls from previous pulses. Photographs of the effects of explosions on the simulated RCS engines are provided.

Metallic glass formation at the interface of explosively welded Nb and stainless steel

NASA Astrophysics Data System (ADS)

Bataev, I. A.; Hokamoto, K.; Keno, H.; Bataev, A. A.; Balagansky, I. A.; Vinogradov, A. V.

2015-07-01

The interface between explosively welded niobium and stainless steel SUS 304 was studied using scanning electron microscopy, transmission electron microscopy and energy dispersive X-Ray spectroscopy. The wavy interface along which vortex zones were located was observed. The vortex zones formed due to the mixing of materials typically had amorphous structure. Inoue's criteria of glass formation were used to explain this result. The effect of the composition, cooling rate and pressure on the glass formation are discussed. The conditions of deformation, heating, and cooling as well as shockwaves propagation were numerically simulated. We show that the conditions of vortex zone formation resemble the conditions of rapid solidification processes. In contrast to the "classical" methods of rapid solidification of melt, the conditions of metastable phase formation during explosive welding are significantly complicated by the fluctuations of composition and pressure. Possible metastable structures formation at the interface of some common explosively joined materials is predicted.

Design of a novel instrument for active neutron interrogation of artillery shells.

PubMed

Bélanger-Champagne, Camille; Vainionpää, Hannes; Peura, Pauli; Toivonen, Harri; Eerola, Paula; Dendooven, Peter

2017-01-01

The most common explosives can be uniquely identified by measuring the elemental H/N ratio with a precision better than 10%. Monte Carlo simulations were used to design two variants of a new prompt gamma neutron activation instrument that can achieve this precision. The instrument features an intense pulsed neutron generator with precise timing. Measuring the hydrogen peak from the target explosive is especially challenging because the instrument itself contains hydrogen, which is needed for neutron moderation and shielding. By iterative design optimization, the fraction of the hydrogen peak counts coming from the explosive under interrogation increased from [Formula: see text]% to [Formula: see text]% (statistical only) for the benchmark design. In the optimized design variants, the hydrogen signal from a high-explosive shell can be measured to a statistics-only precision better than 1% in less than 30 minutes for an average neutron production yield of 109 n/s.

Design of a novel instrument for active neutron interrogation of artillery shells

PubMed Central

Vainionpää, Hannes; Peura, Pauli; Toivonen, Harri; Eerola, Paula; Dendooven, Peter

2017-01-01

The most common explosives can be uniquely identified by measuring the elemental H/N ratio with a precision better than 10%. Monte Carlo simulations were used to design two variants of a new prompt gamma neutron activation instrument that can achieve this precision. The instrument features an intense pulsed neutron generator with precise timing. Measuring the hydrogen peak from the target explosive is especially challenging because the instrument itself contains hydrogen, which is needed for neutron moderation and shielding. By iterative design optimization, the fraction of the hydrogen peak counts coming from the explosive under interrogation increased from 53-7+7% to 74-10+8% (statistical only) for the benchmark design. In the optimized design variants, the hydrogen signal from a high-explosive shell can be measured to a statistics-only precision better than 1% in less than 30 minutes for an average neutron production yield of 109 n/s. PMID:29211773

Interaction between a steady detonation wave in nitromethane and geometrical complex confinement defects.

NASA Astrophysics Data System (ADS)

Crouzet, Blandine; Carion, Noel; Manczur, Philippe

2007-06-01

It is well known that detonation propagation is altered if the explosive is encased in an inert confining material. But in practice, explosives are rarely used without confinement and particular attention must be paid to the problem of explosive/confinement interactions. In this work, we have carried out two copper cylinder expansion tests on nitromethane. They differ from the classical cylinder test in that the liner includes evenly-spaced protruding circular defects. The aim is to study how a detonation front propagating in the liquid explosive interacts with the confining material defects. The subsequent motion of the metal, accelerated by the expanding detonation products, is measured using a range of diagnostic techniques: electrical probes, rapid framing camera, glass block associated with streak camera and velocity laser interferometers. The different experimental records have been examined in the light of a simple 2D theoretical shock polar analysis and 2D numerical simulations.

Buckybomb: Reactive Molecular Dynamics Simulation

DOE PAGES

Chaban, Vitaly V.; Fileti, Eudes Eterno; Prezhdo, Oleg V.

2015-02-24

Energetic materials, such as explosives, propellants, and pyrotechnics, are widely used in civilian and military applications. Nanoscale explosives represent a special group because of the high density of energetic covalent bonds. The reactive molecular dynamics (ReaxFF) study of nitrofullerene decomposition reported here provides a detailed chemical mechanism of explosion of a nanoscale carbon material. Upon initial heating, C 60(NO 2) 12 disintegrates, increasing temperature and pressure by thousands of Kelvins and bars within tens of picoseconds. The explosion starts with NO 2 group isomerization into C-O-N-O, followed by emission of NO molecules and formation of CO groups on the buckyballmore » surface. NO oxidizes into NO 2, and C 60 falls apart, liberating CO 2. At the highest temperatures, CO 2 gives rise to diatomic carbon. Lastly, the study shows that the initiation temperature and released energy depend strongly on the chemical composition and density of the material.« less

Innovative Composite Structure Design for Blast Protection

DTIC Science & Technology

2007-01-01

2007-01-0483 Innovative Composite Structure Design for Blast Protection Dongying Jiang, Yuanyuan Liu MKP Structural Design Associates, Inc...protect vehicle and occupants against various explosives. The multi-level and multi-scenario blast simulation and design system integrates three major...numerical simulation of a BTR composite under a blast event. The developed blast simulation and design system will enable the prediction, design, and