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At least 829 records · Page 46

A new scheme of causal viscous hydrodynamics for relativistic heavy-ion collisions: A Riemann solver for quark–gluon plasma

In this article, we present a state-of-the-art algorithm for solving the relativistic viscous hydrodynamics equation with the QCD equation of state. The numerical method is based on the second-order Godunov method and has less numerical dissipation, which is crucial in describing of quark–gluon plasma in high-energy heavy-ion collisions. We apply the algorithm to several numerical test problems such as sound wave propagation, shock tube and blast wave problems. In sound wave propagation, the intrinsic numerical viscosity is measured and its explicit expression is shown, which is the second-order of spatial resolution both in the presence and absence of physical viscosity. The expression of the numerical viscosity can be used to determine the maximum cell size in order to accurately measure the effect of physical viscosity in the numerical simulation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

High-order shock-fitted detonation propagation in high explosives

In this paper, a highly accurate numerical shock and material interface fitting scheme composed of fifth-order spatial and third- or fifth-order temporal discretizations is applied to the two-dimensional reactive Euler equations in both slab and axisymmetric geometries. High rates of convergence are not typically possible with shock-capturing methods as the Taylor series analysis breaks down in the vicinity of discontinuities. Furthermore, for typical high explosive (HE) simulations, the effects of material interfaces at the charge boundary can also cause significant computational errors. Fitting a computational boundary to both the shock front and material interface (i.e. streamline) alleviates the computational errors associated with captured shocks and thus opens up the possibility of high rates of convergence for multi-dimensional shock and detonation flows. Several verification tests, including a Sedov blast wave, a Zel'dovich–von Neumann–Döring (ZND) detonation wave, and Taylor–Maccoll supersonic flow over a cone, are utilized to demonstrate high rates of convergence to nontrivial shock and reaction flows. Comparisons to previously published shock-capturing multi-dimensional detonations in a polytropic fluid with a constant adiabatic exponent (PF-CAE) are made, demonstrating significantly lower computational error for the present shock and material interface fitting method. For an error on the order of 10 m / s , which is similar to that observed in experiments, shock-fitting offers a computational savings on the order of 1000. In addition, the behavior of the detonation phase speed is examined for several slab widths to evaluate the detonation performance of PBX 9501 while utilizing the Wescott–Stewart–Davis (WSD) model, which is commonly used in HE modeling. It is found that the thickness effect curve resulting from this equation of state and reaction model using published values is dramatically more steep than observed in recent experiments. Utilizing the present fitting strategy, in conjunction with a nonlinear optimizer, a new set of reaction rate parameters improves the correlation of the model to experimental results. In conclusion, this new model is tested against two dimensional slabs as a validation test.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

A space-time smooth artificial viscosity method with wavelet noise indicator and shock collision scheme, Part 2: The 2-D case

This is the second part to our companion paper. Herein, we generalize to two space dimensions the C-method developed in for adding localized, space-time smooth artificial viscosity to nonlinear systems of conservation laws that propagate shock waves, rarefaction waves, and contact discontinuities. For gas dynamics, the C-method couples the Euler equations to scalar reaction-diffusion equations, which we call C-equations, whose solutions serve as space-time smooth artificial viscosity indicators for shocks and contacts. We develop a high-order numerical algorithm for gas dynamics in 2-D which can accurately simulate the Rayleigh-Taylor (RT) instability with Kelvin-Helmholtz (KH) roll-up of the contact discontinuity, as well as shock collision and bounce-back. Solutions to our C-equations not only indicate the location of the shocks and contacts, but also track the geometry of the evolving fronts. This allows us to implement both directionally isotropic and anisotropic artificial viscosity schemes, the latter adding diffusion only in directions tangential to the evolving front. We additionally produce a novel shock collision indicator function, which naturally activates during shock collision, and then smoothly deactivates. Moreover, we implement a high-frequency 2-D wavelet-based noise detector together with an efficient and localized noise removal algorithm. To test the methodology, we use a highly simplified WENO-based discretization scheme. We provide numerical results for some classical 2-D test problems, including the RT problem, the Noh problem, a circular explosion problem from the Liska & Wendroff [13] review paper, the Sedov blast wave problem, the double Mach 10 reflection test, and a shock-wall collision problem. In particular, we show that our artificial viscosity method can eliminate the wall-heating phenomenon for the Noh problem, and thereby produce an accurate, non-oscillatory solution, even though our simplified WENO-type scheme fails to run for this problem.

97 MATHEMATICS AND COMPUTING↗

Characterizing major and trace element compositions in fallout melt glass from a near-surface nuclear test

We report the chemical and isotopic compositions of fallout melt glasses from nuclear tests contain a range of information constraining the physical conditions within the fireball and the mechanisms of fallout formation but historic studies tended to exclude the behavior of stable major and trace elements. Here, we present a large study specifically focused on major and trace element relationships within a population of macroscale fallout samples from a single event. We interpret these data to better constrain how fallout melt glass formation in near surface environments is influenced by that environment and demonstrate how major and trace element abundances can provide useful insights into chemical processes within the fireball. Data confirm that the uranium in the fallout glass population derives from two isotopically distinct endmembers: isotopically enriched uranium (presumably from the weapon), and natural composition uranium that may be a combination of anthropogenic and environmental materials from within the blast zone. The similarity between major and trace element concentrations in fallout and corresponding local soils from the event site confirm the local soils as the most probable source of entrained material into the fireball and the source of carrier material into which the bomb vapor was incorporated. The lack of correlation between major and trace element abundances with size indicates that volatility driven processes, such as condensation from the fireball, do not control the composition of macroscale fallout melt glass. Although the fallout has major and trace element chemical characteristics broadly similar to those of the local, associated soils, some systematic differences are observed between the two populations. Fallout melt glass is depleted in volatile elements such as K, Na, Tl and Pb, consistent with heating to temperatures above ~1000 °C for 3-10 s. This is supported by the results of laser heating experiments performed on rhyolitic soil at temperatures (1600-2200 °C) and timescales (1-120 s) that are broadly relevant to fallout formation conditions. Relative enrichments of metals such as Cu and Co do not correlate with the abundance of uranium, suggesting that fallout also records input of near field anthropogenic materials. Our observations suggest that major chemical features can be related to processing in the fireball and used to inform the thermal-chemical evolution of the system. Ultimately, these data are consistent with a fallout formation mechanism that involves rapid melting of surface materials to form carrier material melts with minor incorporation of bomb vapor and a degree of volumetric volatile loss due to heating.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of iron phosphate ceramic waste form to immobilize radioactive waste solution

The objective of this research was to develop an iron phosphate ceramic (IPC) waste form using converter slag obtained as a by-product of the steel industry as a source of iron instead of conventional iron oxide. Both synthetic off-gas scrubber solution containing technetium-99 (or Re as a surrogate) and LiCl-KCl eutectic salt, a final waste solution from pyrochemical processing of spent nuclear fuel, were used as radioactive waste streams. The IPC waste form was characterized for compressive strength, reduction capacity, chemical durability, and contaminant leachability. Compressive strengths of the IPC waste form prepared with different types of waste solutions were 16 MPa and 19 MPa for LiCl-KCl eutectic salt and the off-gas scrubber simulant, respectively, which meet the minimum compressive strength of 3.45 MPa (500 psi) for waste forms to be accepted into the radioactive waste repository. The reduction capacity of converter slag, a main dry ingredient used to prepare the IPC waste form, was 4,136 meq/kg by the Ce(IV) method, which is much higher than those of the conventional Fe oxides used for the IPC waste form and the blast furnace slag materials. Average leachability indexes of Tc, Li, and K for the IPC waste form were higher than 6.0, and the IPC waste form demonstrated stable durability even after 63-day leaching. In addition, the Toxicity Characteristic Leach Procedure measurements of converter slag and the IPC waste form with LiCl-KCl eutectic salt met the universal treatment standard of the leachability limit for metals regulated by the Resource Conservation and Recovery Act. This study confirms the possibility of development of the IPC waste form using converter slag, showing its immobilization capability for radionuclides in both LiCl-KCl eutectic salt and off-gas scrubber solutions with significant cost savings.

converter slag↗

Electrochemical chlor-iron process for iron production from iron oxide and salt water

The iron and steel industry accounts for ~8% of global greenhouse gas emissions. Electrochemical reduction of iron ore to metal for electric arc furnaces can enable sustainable steel production, but existing electrochemical processes require expensive capital or electrolytes. Here we report a low-temperature, electrochemical cell that consumes low-cost and abundant iron oxide and aqueous sodium chloride, while co-producing sodium hydroxide and chlorine. Industrially relevant current densities and Faradaic efficiencies for iron production were demonstrated, with 94% selectivity to iron metal at an applied current density of 200 mA cm –2 . Freestanding films of phase-pure iron were formed after 4h of continuous, stable electrolysis. The process can lead to levelized costs of iron that are competitive with iron produced in fossil-fuel-powered blast furnaces, and the co-produced sodium hydroxide can be used for CO 2 capture from the air or ocean, creating a net-negative-emission process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improved microstructure of cement-based composites through the addition of rock wool particles

Rock wool is an inorganic fibrous substance produced by steam blasting and cooling molten glass. As with other industrial by-products, rock wool particles can be used as cementitious materials or ultra fine fillers in cement-based composites. This study investigated the microstructure of mortar specimens produced with cement-based composites that include various forms of rock wool particles. It conducted compressive strength testing, rapid chloride penetration tests, X-ray diffraction analysis, thermo-gravimetric analysis, and scanning electronic microscopy to evaluate the macro- and micro-properties of the cement-based composites. Test results indicate that inclusion of rock wool particles in composites improved compressive strength and reduced chloride ion penetration at the age of 91 days due to the reduction of calcium hydroxide content. Microscopic analysis confirms that the use of rock wool particles contributed to the formation of a denser, more compact microstructure within the hardened paste. In addition, X-ray diffraction analysis shows few changes in formation of pozzolanic reaction products and no new hydrations are formed with incorporating rock wool particles. - Highlights: • We report the microstructural characterization of cement-based composites. • Different mixes produced with various rock wool particles have been tested. • The influence of different mixes on macro and micro properties has been discussed. • The macro properties are included compressive strength and permeability. • XRD and SEM observations confirm the pozzolanic reaction in the resulting pastes.

36 MATERIALS SCIENCE↗

Search for the Chiral Magnetic Effect with charge-dependent azimuthal correlations in Xe–Xe collisions at s NN = 5.44 TeV

Charge-dependent two- and three-particle correlations measured in Xe–Xe collisions at $\sqrt{s_{NN}}$ = TeV are presented. Results are obtained for charged particles in the pseudorapidity range |η| and transverse momentum interval 02. ≤ p T < GeV/c for different collision centralities. The three-particle correlator γ αβ ≡ $\langle$cos(φ α + φ β - 2Ψ a )$\rangle$, calculated for different combinations of charge sign α and β, is expected to be sensitive to the presence of the Chiral Magnetic Effect (CME). Its magnitude is similar to the one observed in Pb–Pb collisions in contrast to a smaller CME signal in Xe–Xe collisions than in Pb–Pb collisions predicted by Monte Carlo (MC) calculations including a magnetic field induced by the spectator protons. These observations point to a large non-CME contribution to the correlator. Furthermore, the charge dependence of γ αβ can be described by a blast wave model calculation that incorporates background effects and by the Anomalous Viscous Fluid Dynamics model with values of the CME signal consistent with zero. The Xe–Xe and Pb–Pb results are combined with the expected CME signal dependence on the system size from the MC calculations including a magnetic field to obtain the fraction of CME contribution in γ αβ , $f$ CME . The CME fraction is compatible with zero for the 30% most central events in both systems and then becomes positive. This yields an upper limit of 2% (3%) and 25% (32%) at 95% (99.7%) confidence level for the CME signal contribution to γ αβ in the 0–70% Xe–Xe and Pb–Pb collisions, respectively.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Measurement of 3 Λ H production in Pb–Pb collisions at √ s NN = 5.02 TeV

The first measurement of 3 Λ H and $^{3}_{\overline{Λ}}$$\overline{H}$ differential production with respect to transverse momentum and centrality in Pb–Pb collisions at √ s NN = 5.02 TeV is presented. The 3 Λ H has been reconstructed via its two-charged-body decay channel, i.e., 3 Λ H → 3 He → π - . A Blast-Wave model fit of the p T -differential spectra of all nuclear species measured by the ALICE collaboration suggests that the kinetic freeze-out surface is consistent with that of other nuclei. The ratio between the integrated yields of 3 Λ H and 3 He is compared to predictions from the statistical hadronisation model and the coalescence model, with the latter being favoured by the presented measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Determining the influence of temperature and pressure on the structural stability in a polyurea elastomer

The structural response of amorphous elastomers to applied pressure and temperature is of significant interest given their potential for blast and impact protection applications. While understanding disordered structures is often challenging, this study focuses on the ordered correlations that are present at the atomic level even in amorphous materials. This local order was characterized in polyurea elastomers with two molecular weights up to 6 GPa and ~280 °C using in situ energy dispersive X-ray diffraction at the Advanced Photon Source via total scattering techniques. The resulting structure factors and pair distribution functions indicate that the applied pressure reduced the free volume but had little effect on covalent bonds for both molecular weights. Temperature-induced order-disorder transitions that occur readily at ambient pressures within the temperature range studied here were not observed, their onset likely delayed by the limited chain mobility associated with the free volume reduction. In conclusion, this study demonstrates that total scattering offers insights into the high-pressure structure of disordered polymers that are otherwise inaccessible using more conventional X-ray scattering techniques.

42 ENGINEERING↗

Chirped-probe-pulse femtosecond CARS thermometry in turbulent spray flames

This paper presents temperature measurements in turbulent dilute and dense spray flames using single-laser-shot chirped-probe-pulse femtosecond coherent anti-Stokes Raman spectroscopy (CPP-fs-CARS). This ultrafast technique, with a repetition rate of 5 kHz, is applied to the piloted Sydney Needle Spray Burner (SYNSBURN TM ). The burner system features air-blast atomization of liquid injected from a needle that can be translated within a co-flowing air stream. The pilot-stabilized spray flames can range between the two extremes of dense and dilute by physically translating the needle tip relative to the burner's exit plane. The CPP-fs-CARS set-up has achieved integration times of 3 picoseconds (ps) as well as spatial resolution of approximately 800 µm along beam propagation and 60 µm in the transverse dimension. Brief details of the technique, calibration, correction of interferences, and spectral fitting processes are presented along with estimates of the associated error. The measurements are compared against well-established, line Raman–Rayleigh data for temperature collected in a turbulent CH 4 /air jet diffusion flame, which is largely non-sooting. At peak gaseous flame temperatures of up to 2512 K, the relative accuracy and precision were 2.8% and ±3.4%, respectively. Measurements in turbulent spray flames are shown after applying the relevant corrections based on non-resonant background (NRB) behavior and camera saturation effects on the shape of the CARS signal spectrum. Preliminary mapping of the temperature fields demonstrates the wealth of information available in this dataset which will provide insights into the spatio-temporal structure of spray flames once relevant statistical analysis is applied.

42 ENGINEERING↗

Spontaneous Raman–LIF–CO–OH measurements of species concentration in turbulent spray flames

This paper presents new measurements of species concentrations, temperature and mixture fraction in selected regions of a turbulent ethanol spray flame. The line-Raman–LIF–COsingle bondOH setup developed at the Sandia's Combustion Research Facility is utilised to probe regions of a spray flame where laser breakdown of liquid droplets is avoided and the remaining interferences can be corrected. The spray flame is stabilised on the piloted Sydney needle spray burner, where axial translation of the liquid injecting needle in the air-blast stream can transition the spray from dilute to dense. The solution to obtaining successful measurements is found to be multifaceted and includes: the appropriate selection of flame conditions; high sensitivity of the Raman detection system permitting reduced laser energies; development of a pre-processing algorithm to reject strong droplet interferences; and application of the hybrid matrix inversion method combined with wavelet denoising to account for interference corrections and noise at the very low signal levels obtained. Unique and necessary for the successful measurements reported in this paper, a pre-processing algorithm is outlined that removes data points corrupted with strong interferences from droplets. These interferences arise from a range of sources, but the most intense are due to the laser interaction with surrounding mist or liquid fragments, such that measurements near the jet centreline are corrupted and hence discarded. Reliable measurements of mixture fraction, temperature obtained from the sum of the species number densities, and species mole fractions are reported for regions in the flames sufficiently far from the centreline. The paper demonstrates the feasibility of the judicious use of Raman scattering in turbulent spray flames, the results of which will be extremely useful for validating numerical simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Laser-induced breakdown spectroscopy acoustic testing of the Mars 2020 microphone

Here, the SuperCam instrument suite onboard the Mars 2020 rover will include the Mars Microphone, an experiment designed to record the sounds of the SuperCam laser strikes on rocks and also aeolian noise. In order to record shock waves produced by the laser blasts, the Mars Microphone must be able to record audio signals from 100 Hz to 10 kHz on the surface of Mars, with a sensitivity sufficient to monitor a laser impact at distances up to 4 m. We have used the Aarhus planetary simulator facility to test the Mars 2020 rover microphone in a controlled Martian environment. The end-to-end tests performed in a 6 mbar CO 2 atmosphere, with wind, and also with the microphone at –80°C have demonstrated that the SuperCam/Mars Microphone requirements are satisfied. Tests were also performed on Martian soil simulant targets showing that the variation of the acoustic energy of the shock wave depends on the level of compaction of the target.

47 OTHER INSTRUMENTATION↗

HARD: A performance portable radiation hydrodynamics code based on FleCSI framework

Hydrodynamics And Radiation Diffusion (HARD) is an open-source application for high-performance simulations of compressible hydrodynamics with radiation-diffusion coupling. Built on the FleCSI (Bergen et al., 2021 [1]) (Flexible Computational Science Infrastructure) framework, HARD expresses its computational units as tasks whose execution can be orchestrated by multiple back-end runtimes, including Legion (Bauer et al., 2012 [2]), MPI (Forum, 1994 [3]), and HPX (Kaiser et al., 2020 [4]). Node-level parallelism is handled through Kokkos (Edwards et al., 2014 [5]), providing a single-source, portable code base that runs efficiently on laptops, small homogeneous clusters, and the largest heterogeneous supercomputers currently available. To ensure scientific reliability, HARD includes a regression test suite that automatically reproduces canonical verification problems such as the Sod and LeBlanc shock tubes, and the Sedov blast wave, comparing numerical solutions against known analytical results. The project is distributed under an OSI-approved license, hosted on GitHub, and accompanied by reproducible build scripts and continuous integration workflows. This combination of performance portability, verification infrastructure, and community-focused development makes HARD a sustainable platform for advancing radiation hydrodynamics research across multiple domains.

97 MATHEMATICS AND COMPUTING↗

Focal adhesion protein abnormalities in myelodysplastic mesenchymal stromal cells

Direct cell-cell contact between haematopoietic progenitor cells (HPCs) and their cellular microenvironment is essential to maintain 'stemness'. In cancer biology, focal adhesion (FA) proteins are involved in survival signal transduction in a wide variety of human tumours. To define the role of FA proteins in the haematopoietic microenvironment of myelodysplastic syndromes (MDS), CD73-positive mesenchymal stromal cells (MSCs) were immunostained for paxillin, pFAK [Y{sup 397}], and HSP90{alpha}/{beta} and p130CAS, and analysed for reactivity, intensity and cellular localisation. Immunofluorescence microscopy allowed us to identify qualitative and quantitative differences, and subcellular localisation analysis revealed that in pathological MSCs, paxillin, pFAK [Y{sup 397}], and HSP90{alpha}/{beta} formed nuclear molecular complexes. Increased expression of paxillin, pFAK [Y{sup 397}], and HSP90{alpha}/{beta} and enhanced nuclear co-localisation of these proteins correlated with a consistent proliferative advantage in MSCs from patients with refractory anaemia with excess blasts (RAEB) and negatively impacted clonogenicity of HPCs. These results suggest that signalling via FA proteins could be implicated in HPC-MSC interactions. Further, because FAK is an HSP90{alpha}/{beta} client protein, these results suggest the utility of HSP90{alpha}/{beta} inhibition as a target for adjuvant therapy for myelodysplasia.

60 APPLIED LIFE SCIENCES↗

A two-phase mixing layer between parallel gas and liquid streams: multiphase turbulence statistics and influence of interfacial instability

The two-phase mixing layer formed between parallel gas and liquid streams is an important fundamental problem in turbulent multiphase flows. The problem is relevant to many industrial applications and natural phenomena, such as air-blast atomizers in fuel injection systems and breaking waves in the ocean. The velocity difference between the gas and liquid streams triggers an interfacial instability which can be convective or absolute depending on the stream properties and injection parameters. In the present study, a direct numerical simulation of a two-phase gas–liquid mixing layer that lie in the absolute instability regime is conducted. A dominant frequency is observed in the simulation and the numerical result agrees well with the prediction from viscous stability theory. As the interfacial wave plays a critical role in turbulence transition and development, the temporal evolution of turbulent fluctuations (such as the enstrophy) also exhibits a similar frequency. To investigate the statistical response of the multiphase turbulence flow, the simulation has been run for a long physical time so that time-averaging can be performed to yield the statistically converged results for Reynolds stresses and the turbulent kinetic energy (TKE) budget. An extensive mesh refinement study using from 8 million to about 4 billions cells has been performed. The turbulent dissipation is shown to be highly demanding on mesh resolution compared with other terms in TKE budget. The results obtained with the finest mesh are shown to be close to converged results of turbulent dissipation which allow us to obtain estimations of the Kolmogorov and Hinze scales. The estimated Kolmogorov scale is found to be similar to the cell size of the finest mesh used here. The computed Hinze scale is significantly larger than the size of droplets observed and does not seem to be a relevant length scale to describe the smallest size of droplets formed in atomization.

Mechanics↗

Lifetime risk of suicide among survivors of the atomic bombings of Japan

Abstract Aims The long-term physical health effects of the atomic bombings of Hiroshima and Nagasaki are well characterised, but the psychological effects remain unclear. Therefore, we sought to determine whether measures of exposure severity, as indirect measures of psychological trauma arising from exposure to the atomic bombings, are associated with suicide mortality among atomic bomb survivors. Methods The Life Span Study is a prospective cohort study of 93 741 Japanese atomic bomb survivors who were located within 10 km of the hypocentre in Hiroshima or Nagasaki at the time of the bombings in 1945, and 26 579 residents of Hiroshima and Nagasaki who were not in either city at the time of the bombings, matched to survivors on city, sex and age. Measures of exposure severity included: proximity to the hypocentre, type of shielding between the survivor and the blast and self-reported occurrence of acute radiation and thermal injuries. Date of death was obtained from the Japanese National Family Registry system. Cause of death was obtained from death certificates. Adjusted hazard ratios (HRs) were estimated from Cox regression models overall and stratified by sex and age. Results During the 60-year follow-up period (1950–2009), 1150 suicide deaths were recorded among 120 231 participants (23.6 per 100 000 person-years): 510 among 70 092 women (17.2 per 100 000 person-years) and 640 among 50 139 men (33.6 per 100 000 person-years). Overall, there was no association of proximity, type of shielding or the occurrence of acute injuries with suicide mortality. Among those <25 years of age at the time of the bombings, increased suicide risk was observed for survivors outside v . shielded inside any structure (HR: 1.24; 95% confidence interval (CI): 1.03, 1.48; interaction p = 0.054) and for those who reported flash burns (HR: 1.32; 95% CI: 1.00, 1.73; interaction p = 0.025). Sex-stratified analyses indicated that these associations were limited to men. Among women, closer proximity to the hypocentre was associated with a non-significant increase in suicide risk, with a positive association between proximity and suicide risk observed among women <15 years of age (HR: 1.09 per km; 95% CI: 1.00, 1.18; interaction p = 0.067). Conclusions Proximity to the hypocentre, shielding and acute injury presence do not generally appear to influence suicide mortality among atomic bomb survivors. However, heterogeneity may exist by age and sex, with younger survivors potentially more sensitive to psychological trauma. Coupled with other studies, our results suggest the importance of long-term monitoring of mental health among young populations exposed to catastrophic events or mass trauma.

Psychiatry↗

Direct Real-Time Detection of Vapors from Explosive Compounds

The real-time detection of vapors from low volatility explosives including PETN, tetryl, RDX and nitroglycerine along with various compositions containing these substances is demonstrated. This was accomplished with an atmospheric flow tube (AFT) using a non-radioactive ionization source and coupled to a mass spectrometer. Direct vapor detection was demonstrated in less than 5 seconds at ambient temperature without sample pre-concentration. The several seconds of residence time of analytes in the AFT provides a significant opportunity for reactant ions to interact with analyte vapors to achieve ionization. This extended reaction time, combined with the selective ionization using the nitrate reactant ions (NO3- and NO3-•HNO3), enables highly sensitive explosives detection. Observed signals from diluted explosive vapors indicate detection limits below 10 ppqv using selected ion monitoring (SIM) of the explosive-nitrate adduct at m/z 349, 378, 284 and 289 for tetryl, PETN, RDX and NG respectively. Also provided is a demonstration of the vapor detection from 10 different energetic formulations, including double base propellants, plastic explosives and commercial blasting explosives using SIM for the NG, PETN and RDX product ions.

atmospheric pressure ionization↗