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Results for “energetic materials”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Energetic Materials

Energetic materials comprise explosives, pyrotechnics, and propellants. The science of energetic materials is dedicated to developing means to predict performance and safety characteristics with high fidelity. This is a particular challenge and is predicated on materials science and engineering, physics, chemistry, and dynamic response in extreme conditions. Fundamental elements of these complicated composite materials remain grand challenges—from the design of high-energy metastable molecules, to the engineering of composite formulations, to the processing parameters that link to safety and performance characteristics in as-yet undetermined ways. Key elements include crystalline mechanics, grain dynamics, multiphase interfaces, thermal and mechanical damage, and failure—all linked to multistep and high-rate chemistry and shock physics. A future revolution in our understanding and predictive capability for energetic materials behavior and responses is dependent upon sustained focus and advances in materials research and development.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2022

Energetic Materials

Energetic materials comprise explosives, pyrotechnics, and propellants. The science of energetic materials is dedicated to developing a means to predict performance and safety characteristics with high fidelity. This is a particular challenge and is predicated on materials science and engineering, physics, chemistry, and dynamic response in extreme conditions. Fundamental elements of these complicated composite materials remain grand challenges—from the design of high-energy metastable molecules, to the engineering of composite formulations, to the processing parameters that link to safety and performance characteristics in as-yet undetermined ways. Key elements include crystalline mechanics, grain dynamics, multiphase interfaces, thermal and mechanical damage, and failure—all linked to multistep and high-rate chemistry and shock physics. A future revolution in our understanding and predictive capability for energetic materials behavior and responses is dependent upon sustained focus and advances in materials research and development.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Photoactive energetic materials

Energetic materials that are photoactive or believed to be photoactive may include a conventional explosive (e.g. PETN, nitroglycerine) derivatized with an energetic UV-absorbing and/or VIS-absorbing chromophore such as 1,2,4,5-tetrazine or 1,3,5-triazine. Absorption of laser light having a suitably chosen wavelength may result in photodissociation, decomposition, and explosive release of energy. These materials may be used as ligands to form complexes. Coordination compounds include such complexes with counterions. Some having the formula M(L).sub.n.sup.2+ were synthesized, wherein M is a transition metal and L is a ligand and n is 2 or 3. These may be photoactive upon exposure to a laser light beam having an appropriate wavelength of UV light, near-IR and/or visible light. Photoactive materials also include coordination compounds bearing non-energetic ligands; in this case, the counterion may be an oxidant such as perchlorate.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Methods of reducing ignition sensitivity of energetic materials

An energetic material comprising an elemental fuel, an oxidizer or other element, and a carbon nanofiller or carbon fiber rods, where the carbon nanofiller or carbon fiber rods are substantially homogeneously dispersed in the energetic material. Methods of tailoring the electrostatic discharge sensitivity of an energetic material are also disclosed. Energetic materials including the elemental fuel, the oxidizer or other element, and an additive are also disclosed, as are methods of reducing ignition sensitivity of the energetic material including the additive. The additive is combined with the elemental fuel and a metal oxide to form the energetic material. The energetic material is heated at a slow rate to render inert the energetic material to ignition while the energetic material remains ignitable when heated at a fast rate.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Modeling physical vapor deposition of energetic materials

Morphology and microstructure of organic explosive films formed using physical vapor deposition (PVD) processes strongly depends on local surface temperature during deposition. Currently, there is no accurate means of quantifying the local surface temperature during PVD processes in the deposition chambers. This study focuses on using a multiphysics computational fluid dynamics tool, STARCCM+, to simulate pentaerythritol tetranitrate (PETN) deposition. The PETN vapor and solid phase were simulated using the volume of fluid method and its deposition in the vacuum chamber on spinning silicon wafers was modeled. The model also included the spinning copper cooling block where the wafers are placed along with the chiller operating with forced convection refrigerant. Implicit time-dependent simulations in two- and three-dimensional were performed to derive insights in the governing physics for PETN thin film formation. PETN is deposited at the rate of 14 nm/s at 142.9 °C on a wafer with an initial temperature of 22 °C. The deposition of PETN on the wafers was calculated at an assumed heat transfer coefficient (HTC) of 400 W/m 2 K. This HTC proved to be the most sensitive parameter in determining the local surface temperature during deposition. Previous experimental work found noticeable microstructural changes with 0.5 mm fused silica wafers in place of silicon during the PETN deposition. This work showed that fused silica slows initial wafer cool down and results in ~10 °C difference for the surface temperature at 500 μm PETN film thickness. It was also found that the deposition surface temperature is insensitive to the cooling power of the copper block due to the copper block's very large heat capacity and thermal conductivity relative to the heat input from the PVD process. Future work should incorporate the addition of local stress during PETN deposition. Lastly, based on simulation results, it is also recommended to investigate the impact of wafer surface energy on the PETN microstructure and morphology formation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Report for MaRIE Drivers Workshop on needs for energetic material's studies.

Energetic materials (i.e. explosives, propellants, and pyrotechnics) have complex mesoscale features that influence their dynamic response. Direct measurement of the complex mechanical, thermal, and chemical response of energetic materials is critical for improving computational models and enabling predictive capabilities. Many of the physical phenomena of interest in energetic materials cover time and length scales spanning several orders of magnitude. Examples include chemical interactions in the reaction zone, the distribution and evolution of temperature fields, mesoscale deformation in heterogeneous systems, and phase transitions. This is particularly true for spontaneous phenomena, like thermal cook-off. The ability for MaRIE to capture multiple length scales and stochastic phenomena can significantly advance our understanding of energetic materials and yield more realistic, predictive models.

36 MATERIALS SCIENCE↗
DOE OSTI2020

High-speed x-ray phase contrast imaging and digital image correlation analysis of microscale shock response of an additively manufactured energetic material simulant

The performance of energetic materials subjected to dynamic loading significantly depends on their micro- and meso-scale structural morphology. The geometric versatility offered by additive manufacturing opens new pathways to tailor the performance of these materials. Additively manufactured energetic materials (AMEMs) have a wide range of structural characteristics with a hierarchy of length scales and process-inherent heterogeneities, which are hitherto difficult to precisely control. It is important to understand how these features affect AMEMs’ response under dynamic/shock loading. Therefore, temporally and spatially resolved measurements of both macroscopic behavior and micro- and meso-level processes influencing macroscopic behavior are required. In this paper, we analyze the shock compression response of an AMEM simulant loaded under several impact conditions and orientations. Furthermore, x-ray phase contrast imaging (PCI) is used to track features across the observed shock front and determine the linear shock velocity vs particle velocity equation of state, as well as to quantify the interior deformation fields via digital image correlation (DIC) analyses. Photon Doppler velocimetry is simultaneously used to measure the particle velocities of the specimens, which are consistent with those obtained from x-ray PCI. The DIC analyses provide an assessment of the average strain fields inside the material, showing that the average axial strain depends on the loading intensity and reaches as high as 0.23 for impact velocities up to 1.5 km/s. The overall results demonstrate the utility of x-ray PCI for probing “in-material” equation of state and interior strains associated with dynamic shock compression behavior of the AMEM simulant.

3D printing↗
DOE OSTI2025

The Effects of Shockwave Pressures on Ultrafast Vibrational Energy Transfer in BNFF, a Hydrogen-Free Energetic Material

Energy conversion in energetic materials from shock-wave-induced lattice compression to bond breaking critically depends on vibrational coupling and energy transfer between intra- and intermolecular vibrations, though the details of the mechanisms remain unknown. Herein, we indirectly tune the strength of intermolecular interactions in 3,4-bis(3-nitrofurazan-4-yl)furoxan (BNFF), a hydrogen-free energetic material characterized by van der Waals interactions, by applying high static pressure using a diamond anvil cell and monitoring vibrational energy transfer (VET) with ultrafast broadband infrared pump–probe spectroscopy. As BNFF is compressed from ambient pressure to 9 GPa, we find that VET accelerates by ∼ 0.9 ps/GPa. Density functional theory is applied in tandem with experiments to assign mode character and elucidate VET pathways. In conclusion, we find that furazan ring O–N–O vibrations, which are high-frequency detonation-relevant vibrational modes, experience increased sensitivity to lattice compression under shockwave pressures. These findings provide new mechanistic insight into how intermolecular interactions govern the rate and selectivity of VET.

Energy transfer↗
DOE OSTI2020

Microwave ignition of energetic material housed within a gun

The systems and methods for microwave ignition of energetic material housed within a gun (e.g., primers and/or propellants) allow for the use of insensitive energetic materials and/or insensitive gas-generating materials in place of sensitive energetic materials relied upon by mechanical ignition systems. In some embodiments, the use of insensitive energetic materials and/or insensitive gas-generating materials increase the safety and reliability of guns that would otherwise need to depend on sensitive energetic material required by mechanical or laser ignition mechanisms. Additionally, in some embodiments, the systems and methods provide greater versatility with respect to the variety of energetic materials that may be employed within guns.

42 ENGINEERING↗
DOE OSTI2018

Cooperative self-assembly for structure and morphology control of energetic materials

The performance of energetic materials (EM) varies significantly across production lots due to the inability of current production methods to yield consistent morphology and size. Lot-to-lot variations and the inability to remake the needed characteristics that meet specification is costly, increases uncertainty, and creates additional risk in programs using these materials. There is thus a pressing need to more reliably formulate EMs with greater control of morphology. The goal of this project is to use the surfactant-assisted self-assembly to generate EM particles with welldefined size and external morphologies using triaminotrinitrobenzene (TATB) and hexanitrohexaazaisowurtzitane (CL-20) as these EMs are both prevalent in the stockpile and present interesting/urgent reprocessing challenges. We intend to understand fundamental science on how molecular packing influences EM morphology. We develop scale up fabrication of EM particles with controlled morphology, promising to eliminate inconsistent performance by providing a trusted and reproducible method to improve EMs for NW applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Occurrence Causal Analysis Report: Inadvertent Reaction During the Pressuring of Energetic Material

On June 30, 2020, an inadvertent reaction occurred during pressing of the energetic material pentaerythritol tetranitrate (PETN). The location of the event was the energetic component Rapid Prototype Facility (RPF), where similar operations performed on a variety of energetic materials are routinely provided for customers throughout Sandia National Laboratories (SNL). A background on pressing of energetic materials is provided to enhance clarity in the description of the event. This background includes a description of the equipment, materials, and tooling present during the event.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Understanding Microstructure Variability in Vapor-Deposited Energetic Materials by Using Phase-Field Methods

Critical components, such as detonators, in Sandia's stockpile contain heterogeneous materials whose performance and reliability depend on accurate, predictive models of coupled, complex phenomena to predict their synthesis, processing, and operation. Ongoing research in energetic materials has shown that microstructural properties, such as density, pore-size, morphology, and specific surface area are correlated to their initiation threshold and detonation behavior. However, experiments to study these specific characteristics of energetic materials are challenging and time consuming. Therefore, in this work, we turn to mesoscale modeling methods that may be capable of reproducing some observed phenomena to refine and predict outcomes beforehand. Even so, we have no physics-based modeling capability to predict how the microstructure of an energetic material will evolve over near- and long-term time scales. Thus, the goal of this work is to (i) identify any knowledge gaps in how the underlying microstructure forms and evolves during the synthesis process, and (ii) develop and test a mesoscale phase-field model for vapor deposition to capture critical mechanisms of microstructure formation, evolution, and variability in vapor-deposited energetic materials, such as processing conditions, material properties, and substrate interactions. Based on this work, the phase-field method is shown to be a valuable tool for developing the necessary models containing coupled, complex phenomena to investigate and understand the synthesis and processing of energetic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Toward a machine-guided approach to energetic material discovery

In this article, we trained a machine learning (ML) model to connect microstructural details of an energetic material formulation to its performance for the purpose of guiding the discovery of new explosive formulations. Our hypothesis was that the algorithm would robustly learn the training data and produce an accurate surrogate model. Specifically, the algorithm learned the relationship between details of the void size distribution (VSD), initiating shock pressure, and the energetic material performance. We used realistic constraints on the VSD and a range of cases were ingested by a physically informed reactive flow model working within a hydrodynamic solver running on high-performance computing resources. The ML algorithm produced a surrogate model that accurately predicted known test points around the parameter space. In addition to the utility of the model and the process used for its development, we noted interesting comparisons between what we, the authors—subject matter experts, would heuristically conclude from the training data and the surrogate model predictions. We detected nuanced details that were missed by the surrogate model; however, these details are not important to an energetic material formulator. We concluded that the algorithm did indeed robustly learn the training data and produce an accurate surrogate model. We further concluded that the surrogate model is a powerful tool to guide the formulator in the absence of subject matter experts and limited-access computing resources.

42 ENGINEERING↗
DOE OSTI2020

Experimental and Theoretical Studies of Ultrafast Vibrational Energy Transfer Dynamics in Energetic Materials

Energy transfer through anharmonically-coupled vibrations influences the earliest chemical steps in shockwave-induced detonation in energetic materials. A mechanistic description of vibrational energy transfer is therefore necessary to develop predictive models of energetic material behavior. We performed transient broadband infrared spectroscopy on hundreds of femtoseconds to hundreds of picosecond timescales as well as density functional theory and molecular dynamics simulations to investigate the evolution of vibrational energy distribution in thin film samples of pentaerythritol tetranitrate (PETN) , 1,3,5 - trinitroperhydro - 1,3,5 - triazine (RDX) , and 2,4,6 - triamino 1,3,5 - trinitrobenzene (TATB). Experimental results show dynamics on multiple timescales, providing strong evidence for coupled vibrations in these systems, as well as material-dependent evolution on tens to hundreds of picosecond timescales. Theoretical results also reveal pathways and distinct timescales for energy transfer through coupled vibrations in the three investigated materials, providing further insight into the mechanistic underpinnings of energy transfer dynamics in energetic material sensitivity.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Exploring pressure-dependent inelastic deformation and failure in bonded granular composites: An energetic materials perspective

In polymer-filled granular composites, damage may develop in mechanical loading prior to material failure. Damage mechanisms such as microcracking or plastic deformation in the binder phase can substantially alter the material’s mesostructure. For energetic materials, such as solid propellants and plastic bonded explosives, these mesostructural changes can have far reaching effects including degraded mechanical properties, potentially increased sensitivity to further insults, and changes in expected performance. Unfortunately, predicting damage is nontrivial due to the complex nature of these composites and the entangled interactions between inelastic mechanisms. In this work, we assess the current literature of experimental knowledge, focusing on the pressure-dependent shear response, and propose a simple simulation framework of bonded particles to study four limiting-case material formulations at both meso- and macro-scales. Further, to construct the four cases, we systematically vary the relative interfacial strength between the polymer binder and granular filler phase and also vary the polymer’s glass transition temperature relative to operating temperature which determines how much the binder can plastically deform. These simulations identify key trends in global mechanical response, such as the emergence of strain hardening or softening regimes with increasing pressure which qualitatively resemble experimental results. By quantifying the activation of different inelastic mechanisms, such as bonds breaking and plastically straining, we identify when each mechanism becomes relevant and provide insight into potential origins for changes in mechanical responses. The locations of broken bonds are also used to define larger, mesoscopic cracks to test various metrics of damage. We primarily focus on triaxial compression, but also test the opposite case of triaxial extension to highlight the impact of Lode angle on mechanical behavior.

36 MATERIALS SCIENCE↗