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At least 1,171 records · Page 65

A phase transition for finding needles in nonlinear haystacks with LASSO artificial neural networks

To fit sparse linear associations, a LASSO sparsity inducing penalty with a single hyperparameter provably allows to recover the important features (needles) with high probability in certain regimes even if the sample size is smaller than the dimension of the input vector (haystack). More recently learners known as artificial neural networks (ANN) have shown great successes in many machine learning tasks, in particular fitting nonlinear associations. Small learning rate, stochastic gradient descent algorithm and large training set help to cope with the explosion in the number of parameters present in deep neural networks. Yet few ANN learners have been developed and studied to find needles in nonlinear haystacks. Driven by a single hyperparameter, our ANN learner, like for sparse linear associations, exhibits a phase transition in the probability of retrieving the needles, which we do not observe with other ANN learners. To select our penalty parameter, we generalize the universal threshold of Donoho and Johnstone (Biometrika 81(3):425–455, 1994) which is a better rule than the conservative (too many false detections) and expensive cross-validation. In the spirit of simulated annealing, we propose a warm-start sparsity inducing algorithm to solve the high-dimensional, non-convex and non-differentiable optimization problem. We perform simulated and real data Monte Carlo experiments to quantify the effectiveness of our approach.

97 MATHEMATICS AND COMPUTING↗

Mixed-precision numerics in scientific applications: survey and perspectives

The explosive demand for artificial intelligence (AI) workloads has led to a significant increase in silicon area dedicated to lower-precision computations on recent high-performance computing hardware designs. However, mixed-precision capabilities, which can achieve performance improvements of up to 8x compared to double-precision in extreme compute-intensive workloads, remain largely untapped in most scientific applications. A growing number of efforts have shown that mixed-precision algorithmic innovations can deliver superior performance without sacrificing accuracy. These developments should prompt computational scientists to seriously consider whether their scientific modeling and simulation applications could benefit from the acceleration offered by new hardware and mixed-precision algorithms. In this survey, we (1) review progress across diverse scientific domains—fluid dynamics, weather and climate, quantum chemistry, and computational genomics—that have begun adopting mixed-precision strategies; (2) examine state-of-the-art algorithmic techniques such as iterative refinement, splitting and emulation schemes, and adaptive precision solvers; (3) assess their implications for accuracy, performance, and resource utilization; and (4) survey the emerging software ecosystem that enables mixed-precision methods at scale. We conclude with perspectives and recommendations on cross-cutting opportunities, domain-specific challenges, and the role of co-design between application scientists, numerical analysts, and computer scientists. Collectively, this survey underscores that mixed-precision numerics can reshape computational science by aligning algorithms with the evolving landscape of hardware capabilities.

Graphics processing units↗

An Experimental Method to Measure Gaseous Diffusivity in Tight and Partially Saturated Porous Media via Continuously Monitored Mass Spectrometry

Detection of radioxenon and radioargon produced by underground nuclear explosions is one of the primary methods by which the Comprehensive Nuclear-Test–Ban Treaty (CTBT) monitors for nuclear activities. However, transport of these noble gases to the surface via barometric pumping is a complex process relying on advective and diffusive processes in a fractured porous medium to bring detectable levels to the surface. To better understand this process, experimental measurements of noble gas and chemical surrogate diffusivity in relevant lithologies are necessary. However, measurement of noble gas diffusivity in tight or partially saturated porous media is challenging due to the transparent nature of noble gases, the lengthy diffusion times, and difficulty maintaining consistent water saturation. Here, the quasi-steady-state Ney–Armistead method is modified to accommodate continuous gas sampling via effusive flow to a mass spectrometer. An analytical solution accounting for the cumulative sampling losses and induced advective flow is then derived. Experimental results appear in good agreement with the proposed theory, suggesting the presence of retained groundwater reduces the effective diffusivity of the gas tracers by 10–1000 times. Finally, by using a mass spectrometer, the method described herein is applicable to a broad range of gas species and porous media.

47 OTHER INSTRUMENTATION↗

NASA analysis of space mission options for the 2025 planetary defense conference hypothetical asteroid impact threat scenario

The 2025 Planetary Defense Conference (PDC) hypothetical asteroid impact threat exercise is being conducted in coordination with the United Nations-endorsed Space Mission Planning Advisory Group (SMPAG), exercising SMPAG's processes for assessing space mission options and communicating to decision makers. Here, in this paper, we describe the work performed by our NASA-led team and present the results we contributed to the SMPAG effort for the exercise. Our NASA-led team assessed mission options for asteroid reconnaissance (flyby and rendezvous), deflection, and robust disruption using several viable techniques: kinetic impactors, ion beam deflection, and nuclear explosive devices. Our simulations and analyses considered how much change-in-velocity an asteroid can tolerate before fragmentation onset, and we worked towards establishing requirements for robustly disrupting an asteroid. Heuristics informed by the simulation results are incorporated into optimization of deflection and disruption mission campaign options. Finally, we make some observations about useful generalizations from these results with potential applicability to any planetary defense scenario.

Asteroid deflection↗

Deep convolutional autoencoders as generic feature extractors in seismological applications

The idea of using a deep autoencoder to encode seismic waveform features and then use them in different seismological applications is appealing. In this paper, we designed tests to evaluate this idea of using autoencoders as feature extractors for different seismological applications, such as event discrimination (i.e., earthquake vs. noise waveforms, earthquake vs. explosion waveforms), and phase picking. These tests involve training an autoencoder, either undercomplete or overcomplete, on a large amount of earthquake waveforms, and then using the trained encoder as a feature extractor with subsequent application layers (either a fully connected layer, or a convolutional layer plus a fully connected layer) to make the decision. By comparing the performance of these newly designed models against the baseline models trained from scratch, we conclude that the autoencoder feature extractor approach may only outperform the baseline under certain conditions, such as when the target problems require features that are similar to the autoencoder encoded features, when a relatively small amount of training data is available, and when certain model structures and training strategies are utilized. The model structure that works best in all these tests is an overcomplete autoencoder with a convolutional layer and a fully connected layer to make the estimation.

58 GEOSCIENCES↗

127 Xe quantification method development and intercomparison exercise

Monitoring of the atmosphere for fission products ( 131m Xe, 133m Xe, 133 Xe, and 135 Xe) is performed by various laboratories to detect nuclear explosions. Quantification of 127 Xe is not routinely performed by laboratories measuring atmospheric radioxenon because it is not a fission product. 127 Xe was recently detected by a ground-based beta-gamma air monitoring system. When measured using beta-gamma coincidence detector systems, such as those in use on the International Monitoring System (IMS) of the Comprehensive Nuclear-Test-Ban Treaty (CTBT), 127 Xe can interfere with the quantification of fission product radioxenon due to overlap of the 127 Xe beta-gamma coincidence signatures with those of fission product radioxenon. Here, this work demonstrates quantification of 127 Xe at different laboratories with different measurement techniques. Production and purification of 127 Xe was performed by neutron activation of enriched 126 Xe. The purified 127 Xe was then split between laboratories, and detection and quantification methods were developed. At Idaho National Laboratory, a quantification method involving high purity germanium detectors was devised that included self-attenuation correction. At AWE, a beta-gamma coincidence counting method, as used in support of the IMS, was modified to enable the measurement and analysis of the 127 Xe samples. Corrections were made for self-attenuation, which showed a strong xenon volume dependency, for some coincidence signatures. The gas sample activity concentration was used as the comparison metric and it showed excellent agreement between the methods.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

From atomistic models to machine learning: Predictive design of nanocarbons under extreme conditions

The formation of technologically valuable nanocarbon structures under extreme conditions, such as those produced during high-explosive detonations, remains poorly understood but holds significant potential for the development of controlled synthesis pathways. While detonation shockwaves provide the high-pressure, high-temperature environment required for nanodiamond formation, subsequent cooling and decompression dictate whether the diamond phase is preserved or transformed into other nanocarbon structures. Here, in this study, we employ GPU-accelerated reactive molecular dynamics (ReaxFF) simulations to investigate the graphitization and structural remodeling of detonation nanodiamond under nonlinear quench and pressure-release trajectories. We further investigate how the initial nanodiamond morphology; cuboctahedral, octahedral, or hexagonal prism influences the resulting transformation products. Evolution of nanostructure, allotrope (via simulated x-ray diffraction), carbon hybridization, and ring statistics are tracked during a two-stage quench from 5000 K to 60 GPa. Rapid cooling combined with slow decompression optimizes cubic diamond retention, whereas slow cooling with rapid pressure release promotes surface-to-core graphitization, producing concentric sp 2 -hybridized layers and hollowed inner shells. Octahedral nanodiamonds evolve into carbon nano-onions, initially forming bucky diamonds that progressively transform into fully sp 2 -hybridized structures, while hexagonal prisms preferentially form parallel-stacked graphite layers resembling carbon dots. Transient hexagonal diamond (lonsdaleite) emerges as an interfacial phase, suggesting potential reversibility in the shock-induced graphite-to-diamond transformation pathway transformation route. To extend predictive capabilities, we trained machine learning (ML) regressors on over 10 5 node-hours of molecular dynamics (MD) trajectories. A multilayer perceptron (MLP) model reliably predicts the number of graphitized layers from temperature–pressure trajectories with a coefficient of determination (R 2 ) exceeding 0.90. This high predictive fidelity enables efficient, high-throughput mapping of the synthesis parameter space for optimized graphitization outcomes. Collectively, morphological control combined with optimized quench–decompression conditions promote the selective synthesis of nanocarbon allotropes. This work establishes a data-driven framework for the rational, a priori design of carbon nanomaterials for applications in energy storage, sensing, and biomedicine.

Detonation nanodiamond remodeling↗

Improving anaerobic digestion of sewage sludge to renewable natural gas by the Advanced Pretreatment & Anaerobic Digestion technology (APAD): Pilot testing

Conventional anaerobic digestion (AD) of sewage sludge in wastewater treatment facilities suffers from low carbon conversion efficiency (CCE = 40%) and requires costly CO2 removal for injection of the produced CH4 into the natural gas grid. To address these limitations, we developed the Advanced Pretreatment and Anaerobic Digestion (APAD) process. This integrates Advanced Wet Oxidation & Steam Explosion (AWOEx) pretreatment of residual sludge after conventional AD, followed by biogas upgradation using a novel methanogenic strain, Methanothermobacter wolfeii BSEL, converting CO2 with H2 into CH4 or RNG (renewable natural gas). Pilot-scale results demonstrated that AWOEx pretreatment achieved a CCE of 62% for the residual sludge, 68% higher than the conventional AD process. The CH4 production was further increased by 79%. Subsequent biogas upgrading in a trickling bed reactor with H2 further enhanced total methane output by 100% and resulted in a final CO2 concentration of =3%. The integrated APAD process achieved a remarkable overall CCE of 83%, resulting in a 200% increase in RNG output when compared to conventional AD. Techno-economic analysis revealed that AWOEx pretreatment alone reduced sludge treatment costs from $494 to $253 per ton of dry solids. The complete APAD process incurred a higher cost of treatment of $530 per ton, driven by prices for bottled H2. The process did, however, show gains in energy recovery and decarbonization. Renewable H2, which may reduce in price in the near future, can positively improve the economics of biogas upgrading for the APAD process.

Life Cycle Assessment (LCA)↗

Evaluation of nature and intensity of fire concrete spalling by frequency analysis of sound records

Highlights: • Original sound-based NDT method to assess the spalling form and intensity within the time of the test is proposed. • Frequency analysis of recorded sound provides a quantitative and qualitative assessment of concrete propensity to spalling. • Nature of fire concrete spalling can be categorized by a well-defined frequency value. • Waveform and spectrogram analysis delivers information on the exact number of spalling events within the performed test. The paper presents a new method for identifying the form and intensity of spalling using an analysis of the acoustic signal emitted by concrete. To assess the intensity and monitor the course of concrete spalling during fire exposure, the analysis of the recorded sound from the furnace chamber is used. The spalling intensity was determined based on signal amplitude analysis. Investigation of sound records showed that the character of spalling can be categorized by a well-defined frequency value. Based on the analysis of the Fast Fourier Transform (FFT) spectrum, the authors have distinguished the following phenomena that are the source of the signal by assigning the corresponding frequency of the sound wave vibration: explosive spalling, aggregate spalling and destructive spalling.

36 MATERIALS SCIENCE↗

Embedded smoothed particle hydrodynamics

In this paper, a hybrid method for embedding a meshfree smoothed particle hydrodynamics into mesh-based ALE hydro schemes is presented. The method relies on the embedded mesh framework presented in Puso et al. (2015, 2012) and utilizes SPH (Owen, 2010) in the solid foreground; when an appropriate damage or failure model is used with SPH, it becomes a natural way to model material fracture and cracking in high-explosive driven experiments. Overall, we provide various examples which validate the coupling between SPH and the embedded mesh method.

42 ENGINEERING↗

An extended three-field principle to scale-bridge the granular micromechanics of polymer-bonded particulate materials

Observed phenomena of damage, viscoelasticity, and viscoplasticity in polymer-bonded particulate materials (PBPM), like polymer-bonded explosive (PBX), are accommodated in a scale-bridging constitutive model based on granular micromechanics. An extended three-field variational principle with min - max optimization problem is introduced to homogenize the bonded aggregates’ grain-scale contact mechanics. Similarly to prior applications of a three-field principle, volume constraints are invoked to embed microscale-to-macroscale correspondences for kinematic and static volumetric measures, like mean strain and its energy-conjugate stress invariant. Unlike prior applications, our three-field principle realizes a strain-driven model for effective constitutive behavior due to bonded intergranular contact. In conclusion, the resultant micro-sphere integration-based homogenization is demonstrated in comparison to existing publicly-available measurements to capture the extreme tension/compression constitutive asymmetry exhibited by PBPMs (specifically PBX-9501) during material softening.

42 ENGINEERING↗

Spherically expanding flame in silane–hydrogen–nitrous oxide–argon mixtures

The effect of silane addition on the laminar flame speed ($S^0_u$) of flames propagating in hydrogen–nitrous oxide–argon mixtures has been investigated experimentally for the first time using the spherically expanding flame technique in a constant volume combustion chamber. Replacing hydrogen by silane and maintaining the equivalence ratio constant, much higher flame speeds, explosion peak pressures, and pressure rise coefficients were measured. A previously developed detailed reaction model has been updated based on ab initio thermodynamic properties calculations and collision limit violation analysis. The improved reaction model demonstrates encouraging performance in predicting the flame speed, with a mean absolute error below 11%. To explain the effect of silane addition on the flame dynamics, a number of parameters have been calculated including OH and H rate of production, heat release rate per reaction, and sensitivity coefficient on . The dynamics of freely propagating flames in SiH 4 –H 2 –N 2 O–Ar mixtures is essentially controlled by reactions of the H–O–N chemical system: N 2 O+H=N 2 +OH, OH+H 2 =H 2 O+H, and N 2 O(+M)=N 2 +O(+M). Whereas silane addition does not influence much the rate of production of OH, it significantly modifies that of H with a number of pyrolytic chemical pathways of silicon hydrides, such as SiH+H 2 =SiH 2 +H and Si+H 2 =SiH+H, which act as sink of H atom as they proceed in the backward direction. The reactions forming SiO(s) and SiO 2 (s), such as SiO+OH=SiO 2 (s)+H and 2SiO=2SiO(s), are exothermic and significantly contribute to the temperature increase. The adiabatic, constant pressure flame temperature for mixture containing silane is significantly higher, up to several 100’s K. The increase of induced by silane addition seems to be mostly related to the large increase of the flame temperature which leads to higher energy release rate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A direct numerical simulation of Jet A flame kernel quenching

The safe operation of aeronautical engines requires an understanding of flame ignition, propagation and extinction. In this study, direct numerical simulations are performed using a 29 species reduced chemical mechanism for jet fuel surrogate Jet A to understand the flame quenching process. Here, initially laminar spherical flames of varying sizes and equivalence ratios are subject to an identical periodic domain of decaying and isotropic high intensity turbulence with a turbulent Reynolds number of 2400. All cases become quenched, except for the larger kernel with lower Karlovitz number. An analysis of the flame structure shows broadened preheat zone, flame shortening on the product side, differential species diffusion and partial fuel pyrolysis in the fresh mixture. Two extinction mechanisms are identified arising from flame shortening and high flame stretch. Flame shortening occurs due to turbulence-chemistry interactions that resemble the flame–flame interaction in a laminar counterflow reactant-to-reactant configuration, which contorts and breaks up the ignition kernel. Flame stretch is a local effect that attenuates the heat release rate and causes the flame to retreat towards the product mixtures, similar to what has been observed for reactant-to-product laminar counterflow flames. Chemical explosive mode analysis was also performed to quantify the flame structure and local combustion mode. The diffusion–reaction balance in pinched-off flame islands favors extinction of these smaller structures, while auto-ignition modes are observed within the flame kernel after fresh mixture is engulfed and preheated in the product kernel. Statistics of the density-weighted displacement speed conditional on local combustion mode indicates strong correlation between the local extinction mode and negative displacement speed. The local balance between diffusion and reaction ultimately determines the propensity for local extinction in both laminar and turbulent flames, the extent of which has an impact on global flame propagation.

42 ENGINEERING↗

Effects of non-thermal termolecular reactions on detonation development in hydrogen (H 2 )/methane (CH 4 ) - air mixtures

The binary fuel blend of H 2 /CH 4 is one of the most promising hydrogen-enriched hydrocarbon fuels in spark-ignition (SI) engines. Yet, the undesirable phenomenon of super-knock, which can severely and in-stantaneously damage an SI engine, limits its widespread adoption. Moreover, there is still a lack of con-sensus on the precise mechanism by which this phenomenon occurs i.e. via flame acceleration or spon-taneous ignition, despite numerous previous investigations. At the same time, recent studies [M. P. Burke, S. J. Klippenstein, Nat. Chem. 9 (2017) 1078 -1082, Y. Tao, A. W. Jasper, Y. Georgievskii, S. J. Klippenstein, R. Sivaramakrishnan, Proc. Combust. Inst. 38 (2021) 515-522] have demonstrated a high probability of occurrence of non-thermal reactions in premixed flames of such H 2 /CH 4 fuel blends with air due to the presence of non-trivial amounts of highly reactive radicals including H, O and OH apart from O 2 . The present study focuses on the evolution of an initial deflagration front to a detonation wave in H 2 /CH 4 - air mixtures under SI engine relevant conditions through fully resolved, constant volume 1D simulations with and without non-thermal reactivity. Non-thermal reactions were included in the macroscopic kinetics model as chemically termolecular reactions facilitated by the H + CH 3 and H + OH radical-radical recombination and the H + O 2 radical-molecule association reactions. Further, the nonthermal reactions result in a corresponding decrease in the reaction fluxes of the incipient recombination/association reactions. Therefore, an additional set of simulations were performed by applying corrections to the respective incipient recombination/association rate constants using the methodology demonstrated by Tao et al. [Y. Tao, A. W. Jasper, Y. Georgievskii, S. J. Klippenstein, R. Sivaramakrishnan, Proc. Combust. Inst. 38 (2021) 515-522]. Compared to the baseline case, the onset of spontaneous ignition in the end-gas region was observed to be delayed in the presence of non-thermal termolecular reactions. Concurrently, the developing detonation was observed to be significantly stronger. In contrast, applying corrections to the recombi-nation/association rate constants resulted in a completely different behavior. Specifically, detonation was observed to occur due to self acceleration of the primary flame in the absence of spontaneous ignition in the end-gas region. Sensitivity analysis was performed to quantify the effects of non-thermal reactions on the duration of heat release rate and thereby the mechanism of detonation formation. In addition, chemical explosive mode analysis (CEMA) was performed to identify the dominant species/reactions re-sponsible for the observed results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Computational diagnostics and characterization of combustion recession in diesel sprays

While low-temperature combustion (LTC) strategies have been found to mitigate nitrogen oxides and particulate matter emissions in diesel engines, studies have also associated LTC with an increase in unburnt hydrocarbons. With more recent studies on diesel after end-of-injection (AEOI), combustion recession is identified as a phenomenon where at near nozzle region, high-temperature ignition (HTI) combustion can propagate back to the nozzle tip consuming the unburnt hydrocarbons AEOI. Current literature has suggested that combustion recession is controlled by auto-ignition. However, high-fidelity simulations and detailed analysis of such a mechanism are missing. In this study, comprehensive Large Eddy Simulations of a reacting spray at “Spray A” conditions are performed, where detailed analysis of combustion recession concerning flame morphology and propagation modes are included. In particular, this study demonstrated for the first time that while combustion recession is mainly auto-ignition dominated (consistent with the literature), a cool flame was found to deflagrate towards the richer regions of the mixture, promoting mixing and increasing the mixture temperature. This leads to HTI kernels, which then grow and develop as deflagrative waves, therefore sustaining the combustion recession process. The study also detailed the extinction mechanism of combustion: the entrainment wave will overlean the near-nozzle mixtures, rendering it unable to support HTI, which leads to the extinction of the upstream flame AEOI in lower reactivity mixtures. Combustion recession is also observed to be contingent on the chemical and diffusion processes, even at low scalar dissipation rates. Finally, a new criterion for combustion recession based on chemical explosive mode is proposed and validated with previous combustion recession index to quantify the extent of HTI in near-nozzle mixtures AEOI. The newly developed metric combined with a previous experimentally-based metric can provide simple but valuable measurements of the degree and propensity of the upstream flame AEOI.

CEMA↗

In situ multi-tier auto-ignition detection applied to dual-fuel combustion simulations

Here we use an anomaly detection methodology that is centered on analyzing fourth-order joint moments (co-kurtosis), particularly focusing on its application in auto-ignition of combustion problems with large numbers of species. Unsupervised anomaly detection is challenging to generalize across problem types and domains. A recent technique, centered on analyzing information in the fourth-order joint moment co-kurtosis, has shown promise, especially for high-dimensional scientific data. In this work we present developments to the co-kurtosis based anomaly detection method needed to make it effective and scalable for large-scale distributed scientific data, such as those generated by massively parallel simulations. An in situ co-kurtosis algorithm is employed as the anomaly detection method for identifying ignition kernels in simulations of turbulent combustion. Here, we extend an existing methodology which identifies regions of the domain where anomalies are present, and add another tier of anomaly detection where the individual samples contributing to the anomaly are identified. We apply this algorithm on-the-fly to a variety of turbulent reacting flow problems and compare it to the widely used (but significantly more expensive) chemical explosive mode analysis (CEMA). We demonstrate the ability of the method to detect and identify the onset of low and high temperature ignition which can be used for computational steering, as chemical and combustion anomalies occur intermittently at spatio-temporal locations unknown a priori. Finally, we apply our lightweight in situ algorithm to an exascale high-fidelity simulation with a total of 2.4 Trillion degrees of freedom, performed using an adaptive mesh refinement solver. Furthermore, through a scalability analysis, we show that the relative computational cost of this in-situ anomaly detection algorithm compared to an iteration of the reacting flow solver is negligible.

97 MATHEMATICS AND COMPUTING↗

Semi-implicit method to solve compressible multiphase fluid flows without acoustic time step restrictions

A new 3D multiphase numerical capability is presented here for simulating multiphase flow regimes at all Mach numbers (M). The new method is a semi-implicit extension of the finite volume discrete equation method (DEM) of Chinnaya et al. (2004), which originally used explicit time-stepping. The capability is also developed to work with another extension of the DEM to moving grids for arbitrary Lagrangian-Eularian (ALE) methods detailed in Dunn (2011). Rather than solving all phase equations simultaneously, the DEM reduces the equations to a system of single-phase Riemann solves, where each phase has its own velocity and thermodynamic state. Exchanges between the phases are modeled through source terms accounting for the phase interactions. Furthermore, since the original multiphase scheme uses an explicit time-advancement scheme, it has time step restrictions dictated by the speed of sound, which limits the model's ability to simulate weakly compressible flows which typically need to be integrated for longer time periods. Here, we extend the current multiphase formulation by implementing a pressure-correcting step to enable implicit calculations and remove acoustic time step limitations. The new semi-implicit algorithm allows use of relatively large time steps compared to an explicit method. Validation and benefits of the new implicit time-step method are illustrated using several examples including weakly compressible flows and strong shock waves. The scheme presented here is general and may be used for a variety of applications which require capabilities for handling multiphase flow at a wide range of Mach numbers. However, the goal of this research is to simulate all stages of high energy explosions, including the shock formation (high Mach numbers) and evolution of the buoyant cloud (low Mach numbers).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Biologically inspired reinforcement using polydopamine of polymer bound composites

Interfacial strength plays a critical role in the mechanical properties of a composite system. In this work, a proven mock high explosive (HE), 5-iodo-2’-deoxyuridine (IDOX) was coated by the adhesive promoting polymer polydopamine (PDA), then formulated with an Estane binder system to form an improved HE mock composite. An extensive comparison study of mechanical properties was performed to determine the effects, if any, of PDA on the composite system. To aid in interpretation of the mechanical test data, neutron reflectometry experiments were performed to determine the thickness and structure of the as deposited PDA films. The mechanical performance of PDA-treated IDOX was then compared to untreated specimens by compression testing in the Brazilian disk geometry. The results strongly suggested that the structure of PDA consists of two layers: one low in density caused by polymer agglomerates attaching to the substrate during polymerization, and the second high in density caused by controlled linear deposition of polydopamine. Finally, the mechanical testing showed that PDA greatly increased the stiffness and yield strength of IDOX based mocks without causing any disruption to the underlying crystal system.

42 ENGINEERING↗