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At least 1,423 records · Page 79

Reconfiguring DNA Nanotube Architectures via Selective Regulation of Terminating Structures

Molecular assemblies inside cells often undergo structural reconfiguration in response to stimuli to alter their function. Adaptive reconfiguration of cytoskeletal networks, for example, enables cellular shape change, movement, and cargo transport and plays a key role in driving complex processes such as division and differentiation. The cellular cytoskeleton is a self-assembling polymer network composed of simple filaments, so reconfiguration often occurs through the rearrangement of its component filaments’ connectivities. DNA nanotubes have emerged as promising building blocks for constructing programmable synthetic analogs of cytoskeletal networks. Nucleating seeds can control when and where nanotubes grow and capping structures can bind nanotube ends to stop growth. Such seeding and capping structure, collectively called termini, can organize nanotubes into larger architectures. However, these structures cannot be selectively activated or inactivated in response to specific stimuli to rearrange nanotube architectures, a key property of cytoskeletal networks. Here we demonstrate how selective regulation of the binding affinity of DNA nanotube termini for DNA nanotube monomers or nanotube ends can direct the reconfiguration of nanotube architectures. Using DNA hybridization and strand displacement reactions that specifically activate or inactivate four orthogonal nanotube termini, we demonstrate that nanotube architectures can be reconfigured by selective addition or removal of unique termini. Lastly, we show how terminus activation could be a sensitive detector and amplifier of a DNA sequence signal. These results could enable the development of adaptive and multifunctional materials or diagnostic tools.

59 BASIC BIOLOGICAL SCIENCES↗

Development of a Systematic and Extensible Force Field for Peptoids (STEPs)

Peptoids (N-substituted glycines) are a class of biomimetic polymers that have attracted significant attention due to their accessible synthesis and enzymatic and thermal stability relative to their naturally occurring counterparts (polypeptides). While these polymers provide the promise of more robust functional materials via hierarchical approaches, they present a new challenge for computational structure prediction for material design. The reliability of calculations hinges on the accuracy of interactions represented in the force field used to model peptoids. For proteins, structure prediction based on sequence and de novo design has made dramatic progress in recent years; however, these models are not readily transferable for peptoids. Current efforts to develop and implement peptoid-specific force fields are spread out, leading to replicated efforts and a fragmented collection of parameterized sidechains. Here, we developed a peptoid-specific force field containing 70 different side chains, using GAFF2 as starting point. The new model is validated based on the generation of Ramachandran-like plots from DFT optimization compared against force field reproduced potential energy and free energy surfaces as well as the reproduction of equilibrium cis/trans values for some residues experimentally known to form helical structures. In conclusion, equilibrium cis/trans distributions (Kct) are estimated for all parameterized residues to identify which residues have an intrinsic propensity for cis or trans states in the monomeric state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

SAXS-guided unbiased coarse-grained Monte Carlo simulation for identification of self-assembly nanostructures and dimensions

Recent studies have shown that solvated amphiphiles can form nanostructured self-assemblies called dynamic binary complexes (DBCs) in the presence of ions. Since the nanostructures of DBCs are directly related to their viscoelastic properties, it is important to understand how the nanostructures change under different solution conditions. However, it is challenging to obtain a three-dimensional molecular description of these nanostructures by utilizing conventional experimental characterization techniques or thermodynamic models. To this end, we combined the structural data from small angle X-ray scattering (SAXS) experiments and thermodynamic knowledge from coarse-grained Monte Carlo (CGMC) simulations to identify the detailed three-dimensional nanostructure of DBCs. Specifically, unbiased CGMC simulations are performed with SAXS-guided initial conditions, which aids us to sample accurate nanostructures in a computationally efficient fashion. As a result, an elliptical bilayer nanostructure is obtained as the most probable nanostructure of DBCs whose dimensions are validated by scanning electron microscope (SEM) images. Then, utilizing the obtained molecular model of DBCs, here we could also explain the pH tunability of the system. Overall, our results from SAXS-guided unbiased CGMC simulations highlight that using potential energy combined with SAXS data, we can distinguish otherwise degenerate nanostructures resulting from the inherent ambiguity of SAXS patterns.

36 MATERIALS SCIENCE↗

Development and Characterization of a Rate-Dependent Three-Dimensional Macroscopic Plasticity Model Suitable for Use in Composite Impact Problems

Several key capabilities have been identified by the aerospace community as lacking in the material/models for composite materials currently available within commercial transient dynamic finite element codes such as LS-DYNA. Some of the specific desired features that have been identified include the incorporation of both plasticity and damage within the material model, the capability of using the material model to analyze the response of both three-dimensional solid elements and two dimensional shell elements, and the ability to simulate the response of composites composed with a variety of composite architectures, including laminates, weaves and braids. In addition, a need has been expressed to have a material model that utilizes tabulated experimentally based input to define the evolution of plasticity and damage as opposed to utilizing discrete input parameters (such as modulus and strength) and analytical functions based on curve fitting. To begin to address these needs, an orthotropic macroscopic plasticity based model suitable for implementation within LS-DYNA has been developed. Specifically, the Tsai-Wu composite failure model has been generalized and extended to a strain-hardening based orthotropic plasticity model with a non-associative flow rule. The coefficients in the yield function are determined based on tabulated stress-strain curves in the various normal and shear directions, along with selected off-axis curves. Incorporating rate dependence into the yield function is achieved by using a series of tabluated input curves, each at a different constant strain rate. The non-associative flow-rule is used to compute the evolution of the effective plastic strain. Systematic procedures have been developed to determine the values of the various coefficients in the yield function and the flow rule based on the tabulated input data. An algorithm based on the radial return method has been developed to facilitate the numerical implementation of the material model. The presented paper will present in detail the development of the orthotropic plasticity model and the procedures used to obtain the required material parameters. Methods in which a combination of actual testing and selective numerical testing can be combined to yield the appropriate input data for the model will be described. A specific laminated polymer matrix composite will be examined to demonstrate the application of the model.

Impact↗

Sample glue layer investigation and mitigation for laser induced prompt impulse experiments

Understanding longer timescale material reactions under dynamic stress loading is critical for applications in materials engineering, shock physics, and planetary science. Prompt impulse experiments generate lower pressures since the ablator—the material first removed by the laser—is thicker and farther from the diagnostic plane, capturing aggregate material responses from the initial shock wave, rarefaction waves, and later time effects. This complexity demands thorough material characterization and simulation support. Since traditional sample construction is specific to supported shock experiments, designing prompt impulse experiments requires reconsideration around target design and sample engineering. Here, we present sample preparation techniques, experimental investigations, and theoretical simulations to investigate glue layer impacts, aiming to standardize samples for consistent data at lower laser fluences. We find that glue layers <30 μm have a minimal impact on peak velocity and pulse shape. The peak velocity scales linearly with glue layer thickness until a glue layer of 75 μm. For glue layers >75 μm, the peak velocity no longer scales with thickness; however, the pulse shape continues to degrade as described by simulations.

Lasers↗

Probabilistic effects of porosity and chemical kinetics on the shock initiation of an octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) based explosive

In this work, we investigate the effects of porosity and chemical reactivity on the shock initiation of an HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine)-based polymer bonded explosive due to thin flyer impact using two-dimensional mesoscale simulations. Microstructural samples are computationally generated, and the calculated shock response is compared to experiments. The sample dimensions are 0.1×1.05 mm 2 , and each sample accounts for grain scale heterogeneities, including randomized grain morphology and pore spacing. Simulations are performed using the Lawrence Livermore National Laboratory (LLNL) arbitrary Lagrangian–Eulerian multi-physics code ALE3D. Chemistry and equation of states are handled with LLNL's thermochemical code Cheetah. We employ a modified Arrhenius-based chemical kinetics model that scales the temperature exponent fitting parameter with flyer shock conditions. This new model is calibrated to the mean response of experimental shock initiation thresholds for three separate Kapton flyer thicknesses. A simplified shock initiation criterion is proposed, which classifies the macroscale initiation response based on cross-sectional temperature profiles of the shocked sample. This criterion is used to further investigate the probabilistic response of the sample to variations in the mean porosity and chemical kinetics rate, and we find an inverse correlation between the shock pressure and the confidence interval of the experimental threshold velocity. Furthermore, the methodology presented in this work for quantifying the probabilistic nature of shock initiation is material agnostic. These mesoscale studies may be used to inform continuum scale models and expedite the development of future, tailored energetic formulations.

36 MATERIALS SCIENCE↗

Modulating Solvation Structure in Concentrated Aqueous Organic Redox Flow Battery Electrolyte for Solubility and Transport Enhancement via Polycomplex Ion

Aqueous organic redox flow batteries hold great promise as a technology for creating economical grid energy storage using sustainable materials. Nonetheless, the solubility limit presents a universal barrier for all redox-active organic molecules. In this paper, a new approach is proposed to surpass the solubility limit by manipulating the solvation structure with polycomplex ion additives (PIA). Using poly(3,4-ethylenedioxythiophene) polystyrenesulfonate colloids as one example, its role in dismantling the rigid supramolecular clusters within the highly concentrated 7,8-dihydroxyphenazine-2-sulfonic acid electrolyte is investigated. 1 H and 23 Na NMR spectra and molecular dynamics simulation studies demonstrate that the bipolar structure of the PIA effectively disrupts the aggregations of DHPS and Na + ion in the highly concentrated anolyte, thus rendering a more flexible solvation structure and less restrictive ion transport, leading to substantially improved battery performance of an AORFB cell. The anolyte with PIA achieved 1.6 M and 74.3 Ah L –1 anolyte energy capacity.

25 ENERGY STORAGE↗

Empty perovskites as Coulomb floppy networks: Entropic elasticity and negative thermal expansion

Floppy networks (FNs) provide valuable insight into the origin of anomalous mechanical and thermal properties in soft matter systems, from polymers, rubber, and biomolecules to glasses and granular materials. Here, we use the same FN concept to construct a quantitative microscopic theory of empty perovskites, a family of crystals with ReO 3 structure, which exhibit a number of unusual properties. One remarkable example is ScF 3 , which shows a near-zero-temperature structural instability and large negative thermal expansion (NTE). Furthermore, we trace these effects to an FN-like crystalline architecture formed by strong nearest-neighbor bonds, which is stabilized by net electrostatic repulsion that plays a role similar to osmotic pressure in polymeric gels. NTE in these crystalline solids, which we conceptualize as Coulomb floppy networks, emerges from the tension effect of Coulomb repulsion combined with the FN's entropic elasticity and has the same physical origin as in gels and rubber. Our theory provides an accurate, quantitative description of phonons, thermal expansion, compressibility, and structural phase diagram, all in excellent agreement with experiments. The entropic stabilization of critical soft modes, which play only a secondary role in NTE, explains the observed phase diagram. Significant entropic elasticity resolves the puzzle of a marked, ≈50% discrepancy between the experimentally observed bulk modulus and ab initio calculations. The Coulomb FN approach is potentially applicable to other important materials with markedly covalent bonds, from perovskite oxides to iron chalcogenides, whose anomalous vibrational and structural properties are still poorly understood.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Analysis and Characterization of Damage and Failure Utilizing a Generalized Composite Material Model Suitable for Use in Impact Problems

A material model which incorporates several key capabilities which have been identified by the aerospace community as lacking in state-of-the art composite impact models is under development. In particular, a next generation composite impact material model, jointly developed by the FAA and NASA, is being implemented into the commercial transient dynamic finite element code LS-DYNA. The material model, which incorporates plasticity, damage, and failure, utilizes experimentally based tabulated input to define the evolution of plasticity and damage and the initiation of failure as opposed to specifying discrete input parameters (such as modulus and strength). The plasticity portion of the orthotropic, three-dimensional, macroscopic composite constitutive model is based on an extension of the Tsai-Wu composite failure model into a generalized yield function with a non-associative flow rule. For the damage model, a strain equivalent formulation is utilized to allow for the uncoupling of the deformation and damage analyses. In the damage model, a semi-coupled approach is employed where the overall damage in a particular coordinate direction is assumed to be a multiplicative combination of the damage in that direction resulting from the applied loads in the various coordinate directions. Due to the fact that the plasticity and damage models are uncoupled, test procedures and methods to both characterize the damage model and to covert the material stress-strain curves from the true (damaged) stress space to the effective (undamaged) stress space have been developed. A methodology has been developed to input the experimentally determined composite failure surface in a tabulated manner. An analytical approach is then utilized to track how close the current stress state is to the failure surface.

Finite Element Method↗

pH Regulates Ion Dynamics in Carboxylated Mixed Conductors

Coupled ionic and electronic transport underpins processes as diverse as electrochemical energy conversion, biological signaling, and soft adaptive electronics. Yet, how chemical environments such as pH modulate this coupling at the molecular scale remains poorly understood. Here, we show that the protonation state of carboxylated polythiophenes provides precise chemical control over ion dynamics, doping efficiency, solvent uptake, and mechanical response. Using a suite of multimodal operando techniques, supported by simulations, we reveal that pH dictates the balance of cation/anion uptake during electrochemical doping. Mapping across pH uncovers a quasi-nonswelling regime (≈pH 3–3.5) where charge compensation proceeds with minimal volumetric change yet pronounced stiffening. These findings establish molecular acidity as a general strategy to program ionic preference and mechanical stability, offering design principles for pH-responsive mixed conductors and soft electronic materials that couple ionic, electronic, and mechanical functionality.

PH↗

nn-PINNs: Non-Newtonian physics-informed neural networks for complex fluid modeling

Time- and rate-dependent material functions in non-Newtonian fluids in response to different deformation fields pose a challenge in integrating different constitutive models into conventional computational fluid dynamic platforms. Considering their relevance in many industrial and natural settings alike, robust data-driven frameworks that enable accurate modeling of these complex fluids are of great interest. The main goal is to solve the coupled Partial Differential Equations (PDEs) consisting of the constitutive equations that relate the shear stress to the deformation and fully capture the behavior of the fluid under various flow protocols with different boundary conditions. Here, in this work, we present non-Newtonian physics-informed neural networks (nn-PINNs) for solving systems of coupled PDEs adopted for complex fluid flow modeling. The proposed nn-PINN method is employed to solve the constitutive models in conjunction with conservation of mass and momentum by benefiting from Automatic Differentiation (AD) in neural networks, hence avoiding the mesh generation step. nn-PINNs are tested for a number of different complex fluids with different constitutive models and for several flow protocols. These include a range of Generalized Newtonian Fluid (GNF) empirical constitutive models, as well as some phenomenological models with memory effects and thixotropic timescales. nn-PINNs are found to obtain the correct solution of complex fluids in spatiotemporal domains with good accuracy compared to the ground truth solution. We also present applications of nn-PINNs for complex fluid modeling problems with unknown boundary conditions on the surface, and show that our approach can successfully recover the velocity and stress fields across the domain, including the boundaries, given some sparse velocity measurements.

42 ENGINEERING↗

Verification and Validation of a Three-Dimensional Composite Impact Model with Tabulated Input

A material model which incorporates several key capabilities which have been identified by the aerospace community as lacking in the composite impact models currently available in the commercial transient dynamic finite element code LS-DYNA® has been developed. The material model utilizes experimentally based tabulated input to define the evolution of plasticity and damage as opposed to specifying discrete input parameters (such as modulus and strength. The plasticity portion of the orthotropic, three-dimensional, macroscopic composite constitutive model is based on an extension of the Tsai-Wu composite failure model into a generalized yield function with a non-associative flow rule. The capability to account for the rate and temperature dependent deformation response of composites has also been incorporated into the material model. For the damage model, a strain equivalent formulation is utilized to allow for the uncoupling of the deformation and damage analyses. In the damage model, a diagonal damage tensor is defined to account for the directionally dependent variation of damage. However, the terms in the damage matrix are semi-coupled such that the damage in a particular coordinate direction is a function of the stresses and plastic strains in all of the coordinate directions. For the failure model, a tabulated approach is utilized in which a stress or strain based invariant is defined as a function of the location of the current stress state in stress space to define the initiation of failure, which allows an arbitrarily shaped failure surface to be defined. A systematic series of validation and verification studies, at a variety of length scales ranging from single element simulations to simulations of a flat panel impact test, have been performed to fully exercise and evaluate the capabilities of the developed model.

Impact↗

Improving the stability and performance of MagLIF implosions by applying dielectric coatings and increasing applied B z , fuel preheat, and load current

We report two magnetized liner inertial fusion (MagLIF) experiments that produced record thermonuclear D–D neutron yields of 2.11×10 13 and 2.33×10 13 . These yields are about a factor of two higher than previous MagLIF results. The experiments achieved ion temperatures of 3.0 and 3.3 keV and stagnation pressures of 1.6 and 1.3 Gbar. The inferred Lawson parameters were χ=0.2 and 0.1, which are the largest reported for MagLIF. The performance increase used a high-aspect-ratio beryllium liner with a dielectric coating and modest increases in preheat energy (∼2.2 kJ), peak current (18.5 MA), and axial magnetic field (15 T). Three-dimensional HYDRA simulations are consistent with the measured liner dynamics and fusion outputs. These results indicate a pathway to higher-yield MagLIF designs using coated, high-aspect-ratio liners and improved input parameters. Simulations further suggest that adding an ice fuel layer could increase yield by up to a factor of 2.5 by reducing liner convergence, instability feedthrough, and mix.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Shock compression experiments using the DiPOLE 100-X laser on the high energy density instrument at the European x-ray free electron laser: Quantitative structural analysis of liquid Sn

X-ray free electron laser (XFEL) sources coupled to high-power laser systems offer an avenue to study the structural dynamics of materials at extreme pressures and temperatures. The recent commissioning of the DiPOLE 100-X laser on the high energy density (HED) instrument at the European XFEL represents the state-of-the-art in combining x-ray diffraction with laser compression, allowing for compressed materials to be probed in unprecedented detail. Here, we report quantitative structural measurements of molten Sn compressed to 85(5) GPa and ~3500 K. The capabilities of the HED instrument enable liquid density measurements with an uncertainty of ~1% at conditions which are extremely challenging to reach via static compression methods. We discuss best practices for conducting liquid diffraction dynamic compression experiments and the necessary intensity corrections which allow for accurate quantitative analysis. We also provide a polyimide ablation pressure vs input laser energy for the DiPOLE 100-X drive laser which will serve future users of the HED instrument.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Compact in situ probe for magnetotransport measurements of 2D materials under variable tensile strain

The recent development of freestanding oxide membranes has opened new opportunities for strain engineering of transition metal oxides beyond values accessible in bulk samples. While a number of studies have been performed with fixed strain, the ability to dynamically control the strain state during measurement would be greatly enabling. To this end, we present an in situ uniaxial strain probe optimized for transport measurements of tensile-strained 2D or quasi-2D materials down to 2 K. Utilizing a flexible polyimide substrate as the stress transfer medium, our platform simplifies the sample preparation process and allows precise alignment of strain fields relative to the crystalline axes. An in situ optical microscope monitors the macroscopic strain state operando and makes it possible to complete an entire magnetotransport study at cryogenic temperatures under continuous strain variations. We demonstrate the capabilities of the probe on a freestanding LaNiO 3 membrane, where we induce tensile strain up to 8% and observe a corresponding strong transport anisotropy. In view of the rapid developments in low-dimensional materials synthesis and the plethora of novel quantum phenomena they exhibit, this strain probe provides general instrumentation for examining and controlling these properties via strain.

2D materials↗

Equilibrium-gated pattern formation: How molecular dissociation thermodynamics drive emergent behavior in dissipative polymeric systems

Emergent patterns in biological systems arise through dissipative processes that balance reaction and transport phenomena, producing highly functional properties from self-regulating mechanisms. Synthetic fabrication, by contrast, often relies on user-controlled, multistep methods that lack the self-organizing capabilities of natural systems. Inspired by nature, we sought chemical systems that integrate strongly coupled reaction and transport phenomena, identifying frontal ring-opening metathesis polymerization (FROMP) as a method capable of creating diverse forms and functions through reactive processing. By employing discrete molecular initiators, FROMP allows precise control of key reaction steps—inhibition, initiation, and propagation. Using an integrated computational and experimental framework, we uncover how near-equilibrium inhibition dynamics, coupled with far-from-equilibrium reaction kinetics, drive pattern formation in frontally polymerized synthetic materials. We propose the concept of equilibrium-gated pattern formation, demonstrating how initiator chemistry can be tuned to achieve programmable macroscale properties. Our study reveals a surprising insight: Emergent behavior in FROMP systems arises from the inhibition-dominated regime of resin composition, expanding prior observations that such behavior is confined to a narrow compositional space near the boundary between front quenching and uniform front propagation. We identify a broader compositional window, far from the quenching regime, where emergent behavior reliably manifests. This expanded design space significantly enhances the operational flexibility of reactive systems and their capacity for self-organization. Furthermore, these insights provide a roadmap for designing bioinspired materials with self-organizing capabilities, unlocking possibilities in synthetic manufacturing.

Architected Polymers↗

Multiple freezing–melting pathways of high-density ice through ice XXI phase at room temperature

Various metastable ice phases and their complicated transition pathways have been found by pressurization at low temperatures at which slow kinetics and high metastability are easily achieved. By contrast, such diversity is less expected at room or elevated temperatures. Here, using a combination of a dynamic diamond anvil cell and X-ray free electron laser techniques, we demonstrate that supercompressed water transforms into ice VI through multiple freezing–melting pathways at room temperature, hidden within the pressure region of ice VI. These multiple transition pathways occur via a metastable ice (more specifically, ice XXI with body-centred tetragonal structure ($I\bar{4}2d$)) discovered in this study and a metastable ice VII that exists within the pressure range of ice VI. We find that supercompressed water structurally evolves from high-density water to very-high-density water, causing multiple transition pathways. These findings provide an insight to find more metastable ice phases and their transition pathways at elevated temperatures.

Lee, Yun-Hee [Korea Research Institute of Standard↗

Development of a Numerical Model of Hypervelocity Impact into a Pressurized Composite Overwrapped Pressure Vessel

As the outlook for space exploration becomes more ambitious and spacecraft travel deeper into space than ever before, it is increasingly important that propulsion systems perform reliably within the space environment. The increased reliability compels designers to increase design margin at the expense of system mass, which contrasts with the need to limit vehicle mass to maximize payload. Such are the factors that motivate the integration of high specific strength composite materials in the construction of pressure vessels commonly referred to as composite overwrapped pressure vessels (COPV). The COPV consists of a metallic liner for the inner shell of the COPV that is stiff, negates fluid permeation and serves as the anchor for composite laminates or filaments, but the liner itself cannot contain the stresses from the pressurant it contains. The compo-site-fiber reinforced polymer (CFRP) is wound around the liner using a combination of hoop (circumferential) and helical orientations. Careful consideration of wrap orientation allows the composite to evenly bear structural loading and creates the COPV's characteristic high strength to weight ratio. As the CFRP overwrap carries most of the stresses induced by pressurization, damage to the overwrap can affect mission duration, mission success and potentially cause loss-of-vehicle/loss-of-crew. For this reason, it is critical to establish a fundamental understanding of the mechanisms involved in the failure of a stressed composite such as that of the COPV. One of the greatest external threats to the integrity of a spacecraft's COPV is an impact from the meteoroid and orbital debris environments (MMOD). These impacts, even from submillimeter particles, generate extremely high stress states in the CFRP that can damage numerous fibers. As a result of this possibility, initial assumptions in survivability analysis for some human-rated NASA space-craft have assumed that any alteration of the vessel due to impact is considered a catastrophic failure. This assumption is conservative and made due to lack of knowledge on the level of allow-able damage to the composite overwrap that can be sustained and still allow successful completion of the mission. To quantify the allowable damage level to the composite overwrap involves assessing stress redistribution following damage as well as evaluating possible time-dependent mechanisms involved in the COPV response to an impact event. Limited published work in this subject has shown that COPV can withstand at least some level of damage due to high energy impacts. These observations have been confirmed and expanded upon in recent experimental research performed by NASA. This research has demonstrated that there is not only robustness in a COPV to compensate for CFRP damage, but has also identified two significant failure modes for pressurized COPV. The lowest threshold failure mode involves the perforation of the vessel, and the highest threshold failure mode is the catastrophic rupture. While both of these failure modes mean a loss of the COPV, system robustness affords some tolerance to the venting as opposed to the more catastrophic rupture. As a consequence, it is necessary to understand the conditions that result in the transition between these failure modes. The aforementioned experimental research has been performed in both the unpressurized and pressurized condition to identify the damage level that triggered the failure thresh-old. This COPV test program was sponsored by the NASA Engineering and Safety Center (NESC), and tests were performed at NASA White Sands Test Facility (WSTF). Planning and coordination were provided by NASA JSC Hypervelocity Impact Technology (HVIT) group, and the COPVs were provided by the ISS Program. Unpressurized testing has been conducted at the pressure of the vacuum test chamber, while, the pressurized testing has been conducted at 290 +/- 10 bar (4,200  100 psi) using nitrogen as the pressurizing gas, which corresponds to the design pressure for the target COPV. In this research, spherical aluminum projectiles with varying diameter has been chosen as the impactor. For the unpressurized COPV, the dependence of penetration up to the dependence of hole size in the liner has been obtained as a function of impact conditions. For the pressurized research, the dependence of penetration up to rupture has been obtained as a function of im-pact conditions. Two representative post-test photographs of the failed COPV's from a nor-mal impact into the COPV surface are shown in Fig. 1. These images display the dramatic difference between failure modes, venting (Fig. 1a) and rupture (Fig. 1b). For venting, liner perforation, severed composite fibers/tows and ply delamination are commonly observed damage characteristics of this COPV failure mode. In the case of rupture, the COPV typically experienced a separation of its domed regions and severe break-up of the cylindrical region. Fully understanding the transition from venting to rupture experimentally is costly and potentially unachievable for conditions that cannot be generated in the laboratory. These shortcomings have motivated the performance of three-dimensional numerical simulations to expand the existing experimental database. These simulations have been carried out with the nonlinear-structural-dynamics, analysis-tool, CTH. A typical pressure contour plot from an impact simulation of an entire COPV is shown in Fig. 2. To generate the COPV stress state without initiating a shock wave, the pressure in the simulated COPV is ramped up to the final pressure over a millisecond prior to impact of the projectile with nitrogen gas. Figure 2a shows the system in this initial condition. After one millisecond, a projectile is initiated into the simulation and impacts the COPV. Figure 2b shows the system after this impact. In the figure, the onset of venting is represented as the change in pressure (μbar), red to green, at the perforation site. Also seen in the figure is the eroded projectile that had passed into the COPV vessel with the generated shock wave in the pressurant propagating just ahead of the material. In this paper, pertinent experimental details and the development of the material constitutive models necessary for this work along with the efforts to validate their use are dis-cussed. The simulation results are presented and compared with the NASA experimental observations. While work is on-going from this effort, early observations pertinent to the failure threshold are presented.

Garcia, M. A.↗