Void Collapse Research Articles

Atomistic analysis of the mechanisms underlying irradiation-hardening in Fe–Ni–Cr alloys

This work presents a comprehensive examination of the physical mechanisms driving hardening in irradiated face-centered cubic FeNiCr alloys. The evolution of irradiation-induced defects during shear deformation is modeled by atomistic simulations through overlapping cascade simulations, where the nucleation and evolution of dislocation loops is validated by transmission electron microscopy images obtained from irradiated FeNiCr alloys using tandem accelerator. The effect of different shear rates on the microstructure of irradiated materials with a specific focus on the changes in the density of voids and dislocation loops induced by irradiation was analyzed. Additionally, the fundamental interaction processes between single irradiation-induced defects contributing to irradiation hardening, such as voids and dislocation loops in the alloy are explained. The analysis at atomic level indicates that both the dislocation loops and the voids exhibit strengthening effects. Furthermore, the nanometric voids are much stronger obstacles than dislocation loops of comparable size. The mechanism of cutting the voids leads to an increase of voids density and thus contributes to an increase in irradiation hardening. The mechanism of collapse of small voids into dislocation loops leads to decrease of voids density and at the same time increase of loops density. The coupling effect between the density of voids and dislocation loops is determined. Finally, the novel, physical mechanisms-based model of irradiation hardening and dislocation-radiation defect reaction kinetics are developed, which consider the mechanisms of void cutting, void shrink and void collapse to dislocation loop.

Impacting metamaterials: The threshold for wave propagation in holey columns

We study the dynamic deformation of columns containing a periodic array of holes subject to impact loading. When compressed slowly, holey columns buckle beyond a critical compressive strain, and global pattern switching (from circular holes to orthogonal ellipses) occurs instantaneously. In contrast, the dynamic deformation of holey columns is driven by wave propagation; impact induces a compressive wave that buckles the ligaments surrounding a hole, nucleating a sequential pattern switching process. Subsequent void collapse, which ultimately leads to self-contact and topological modification, is driven by the moving boundary. Here, we identify the critical impact velocity above which the compression can no longer be considered quasistatic, and we show that it depends on system size. For dynamic deformations, we show that internal displacements are independent of impact velocity and propagate at the material sound speed, whereas the topological transition wave propagates at a speed that depends on the impact velocity. Published by the American Physical Society 2024

Stream hydrology controls on ice cliff evolution and survival on debris-covered glaciers

Abstract. Ice cliffs are melt hot spots that contribute disproportionately to melt on debris-covered glaciers. In this study, we investigate the impact of supraglacial stream hydrology on ice cliffs using in situ and remote sensing observations, streamflow measurements, and a conceptual geomorphic model of ice cliff backwasting applied to ice cliffs on Kennicott Glacier, Alaska. We found that 33 % of ice cliffs (accounting for 69 % of the ice cliff area) are actively influenced by streams, while half are nearer than 10 m from the nearest stream. Supraglacial streams contribute to ice cliff formation and maintenance by horizontal meandering, vertical incision, and debris transport. These processes produce an undercut lip at the ice cliff base and transport clasts up to tens of centimeters in diameter, preventing reburial of ice cliffs by debris. Stream meander morphology reminiscent of sedimentary river channel meanders and oxbow lakes produces sinuous and crescent ice cliff shapes. Stream avulsions result in rapid ice cliff collapse and local channel abandonment. Ice cliffs abandoned by streams are observed to be reburied by supraglacial debris, indicating a strong role played by streams in ice cliff persistence. We also report on a localized surge-like event at the glacier's western margin which drove the formation of ice cliffs from crevassing; these cliffs occur in sets with parallel linear morphologies contrasting with the crescent planform shape of stream-driven cliffs. The development of landscape evolution models may assist in quantifying the total net effect of these processes on steady-state ice cliff coverage and mass balance, contextualizing them with other drivers including supraglacial ponds, differential melt, ice dynamics, and collapse of englacial voids.

Study of energy dissipation mechanisms and hotspot formation patterns during impact process in octogen explosives with circular cavities

Considerable focus has been given to hotspot generation and ignition phenomena in impact-induced explosives. Hotspot formation in explosives is typically attributed to internal dissipation and heat transfer occurring within them. This study refines the momentum and energy equations to illustrate the entire process of particle collision, temperature-rise evolution, and hotspot formation in octogen explosive bed under impact. By octogen, we mean the substance known as cyclotetramethylene tetranitramine, which is also commonly referred to as HMX. Dense particles are considered to have pseudo-fluid properties. During the impact of the explosive, we captured the propagation of the stress wave and compared its similarities and differences with the shock wave. The collision force model incorporates a combination of Hertz–Mindlin elastic and Thornton elastoplastic contact theories. The temperature-governing equation includes sliding friction, rolling resistance, and plastic dissipations as energy sources, taking into account the heat transfer processes between particles. Temperature evolution is a spatiotemporally correlated phenomenon divided into three processes: high-temperature bands formation, cavity collapse, and particle bed dispersion, all of which lead to hotspot formation near the cavity and near the wall. Plastic dissipation is the primary source for particle temperature-rise and hotspot formation. Furthermore, the effect of cavity size, impact velocity, and particle size on temperature evolution and hotspot formation patterns is analyzed. It was found that higher impact velocities and smaller cavity sizes are associated with increased hotspot temperatures near the wall, but the hotspot temperature near the cavity does not consistently vary with impact velocity and cavity size. This is attributed to the relationship between energy dissipation rate and void collapse time.

Johnson–Cook yield functions for cyclotetramethylene-tetranitramine (HMX) and cyclotrimethylene-trinitramine (RDX) derived from single crystal plasticity models

High-fidelity constitutive models are critical for accurate meso-scale continuum modeling and prediction of shock initiation of crystalline energetic materials (EMs). While empirically calibrated or atomistic-guided anisotropic elastoplastic models of EM such as cyclotetramethylene-tetranitramine (HMX) and cyclotrimethylene-trinitramine (RDX) capture important micromechanical phenomena (such as dislocation evolution, slip-resistance, and anisotropic elasticity), the computational cost of using anisotropic single-crystal plasticity models can become prohibitive for meso-scale computations of void-collapse and hotspot formation in microstructures. Thermo-mechanically representative, isotropic, pressure, temperature, and rate-dependent material constitutive models are practical alternatives for meso-scale simulations of the shock response of microstructures. To this end, this work constructs physically consistent isotropic plasticity from anisotropic single-crystal plasticity models for HMX and RDX. State-of-the-art crystal plasticity models for HMX and RDX are used to compute the stress states in single crystals oriented in three different directions relative to shocks generated by impact at velocities ranging from 100 to 1000 m/s. Post-shock von Mises stress fields for the three orientations are then used to calibrate the strain-rate hardening coefficient and the reference strain rate for a rate-dependent Johnson–Cook (JC) yield surface model. We compare the pressures and the post-shock von Mises stresses between the JC and the anisotropic models to show that the isotropic computations closely approximate the averaged deformation response of the three different crystal orientations. We then model the interaction of a shock generated by a 500 m/s impact with a 0.5 μm void and show that the pressures and the deviatoric stresses obtained using the isotropic model closely match those computed from anisotropic models for both HMX and RDX. The resulting isotropic J2 plastic flow model for HMX and RDX can be employed to perform meso-scale simulations for energy localization due to shear bands and void collapse in the two materials.

Molecular dynamics simulation study of void collapse mechanisms in cubic metals under shock compression

Molecular dynamics simulations have revealed the collapse mechanism of a void in cubic metals under shock compression along [100] direction. The results show that the void collapse is caused by emitting dislocations from its surface. The type of cubic metal plays a decisive role in the subsequent microstructural evolution around the void. Void in face-centered-cubic metals collapses by emitting Shockley dislocations from its surface when piston velocity exceeds the threshold; while void in body-centered-cubic metals collapses by emitting prismatic dislocation loops, which are formed by the reaction of edge dislocations. Simulation results also reveal that the type of dislocation that induces void collapse is independent of void size. Finally, based on the elastic theory, we find that the maximum resolved shear stress along the slip direction determines the types of dislocation emitted from the voids.

Radiation and heat transport in divergent shock–bubble interactions

Shock–bubble interactions (SBIs) are important across a wide range of physical systems. In inertial confinement fusion, interactions between laser-driven shocks and micro-voids in both ablators and foam targets generate instabilities that are a major obstacle in achieving ignition. Experiments imaging the collapse of such voids at high energy densities (HED) are constrained by spatial and temporal resolution, making simulations a vital tool in understanding these systems. In this study, we benchmark several radiation and thermal transport models in the xRAGE hydrodynamic code against experimental images of a collapsing mesoscale void during the passage of a 300 GPa shock. We also quantitatively examine the role of transport physics in the evolution of the SBI. This allows us to understand the dynamics of the interaction at timescales shorter than experimental imaging framerates. We find that all radiation models examined reproduce empirical shock velocities within experimental error. Radiation transport is found to reduce shock pressures by providing an additional energy pathway in the ablation region, but this effect is small (∼1% of total shock pressure). Employing a flux-limited Spitzer model for heat conduction, we find that flux limiters between 0.03 and 0.10 produce agreement with experimental velocities, suggesting that the system is well-within the Spitzer regime. Higher heat conduction is found to lower temperatures in the ablated plasma and to prevent secondary shocks at the ablation front, resulting in weaker primary shocks. Finally, we confirm that the SBI-driven instabilities observed in the HED regime are baroclinically driven, as in the low energy case.

Fatigue responses of metallic glass‐based stochastic network nanomaterial: Superior strain‐hardening ability

AbstractEngineering materials commonly suffer from cumulative and irreversible damage during cyclic deformation, leading to fatigue failure. Developing materials with better fatigue resistance is imperative. This work reports a metallic glass network nanomaterial that possesses superior strain‐hardening ability. After a certain number of fatigue tests, the peak stress of the nanomaterial can even be up to four times its original value. This superior strain‐hardening ability originates from the unique plastic mechanism. During cyclic deformation, localized shear transformation zones form and develop, especially in the stress concentration regions. Ligaments crosslinked to these regions cannot sustain their original configurations and contract toward these plastic hinges, resulting in the collapse and coalescence of voids. This densification enhances the engineering stress during each cycle. The fatigue features can be altered by adjusting the cyclic frequency. Stronger strain‐hardening ability can be achieved at lower cyclic frequencies.

Understanding the spall behaviors of single crystalline aluminum under double decaying shock loadings: Atomistic simulations and theoretical models

The shock responses of single crystalline aluminum under double decaying shock loadings are systematically studied by atomistic simulations and theoretical models. Two successive spall events in the same region are observed, which were controlled by voids formation-collapse-formation mechanism. The spall strength for the second spallation was significantly reduced and gradually decreased with increasing time interval. The important dynamic properties, such as spall strength and void nucleation threshold, are significantly different and depend on microstructure and temperature. Furthermore, an analytical expression has been developed to quantify the temperature effect on the nucleation threshold for the second spallation. The damage evolution of two successive spall events in the same region is described by a combination of a nucleation threshold model and a nucleation-and-growth model complemented with the voids collapse process. The voids volume fractions from theoretical models and simulations show good agreement, demonstrating that the theoretical models are feasible for describing the nucleation threshold variation and damage evolution under double decaying shock loadings. The spall behaviors and theoretical models provide insights into further understanding the dynamic responses under complex shock loadings.

Size-dependent shock response mechanisms in nanogranular RDX: a reactive molecular dynamics study.

Understanding the shock initiation mechanisms of explosives is pivotal for advancing physicochemical theories and enhancing experimental methodologies. This study delves into the size-dependent shock responses of nanogranular hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) through nonequilibrium reactive molecular dynamics simulations. Utilizing the ReaxFF-lg force field, we examine the influence of the particle size on the decomposition dynamics of RDX under varying shock velocities. Our findings reveal that larger particles promote more significant RDX decomposition at lower velocities due to fluid jet formation and gas compression during void collapse. Conversely, smaller particles exhibit a higher average temperature and a faster decomposition rate under high-velocity shocks, attributed to their increased specific surface area. Detailed chemical reaction pathways are analyzed to elucidate the growth and initiation of reactions during shock waves. The results contribute to resolving the discrepancies observed in experimental studies of shocked granular explosives and provide a deeper understanding of the underlying mechanisms governing their behavior. This research offers valuable insights into the design and control of nano- and submicron-sized explosives with tailored sensitivity to external stimuli.

GRAVITATIONAL GEOLOGICAL PROCESSES (KARST)

The article presents karsts, as one of the gravitational geological processes, developing in rocks (limestone, dolomite, gypsum, anhydrite, sodium and potassium salts) dissolving in natural surface and groundwater. For the first time, an attempt was made to study karsts, changes in hydrogeological conditions during their development and the influence on internal and external hazardous geological phenomena. The main purpose of this article is to draw attention to the need for further study of the Dvin earthquake source, associated with the possible collapse of underground voids (in this case, karst halls) characteristic of this territory.

Supercritical CO2 drying of New Zealand red beech to below the fibre saturation point reduces collapse distortion

Supercritical CO2 offers an alternative method of removing wood moisture and reducing cellular collapse compared to traditional drying techniques. The technique has been previously demonstrated for Pinus radiata and Eucalyptus nitens dewatering and was modified in this study for New Zealand red beech (Nothofagus fusca) heartwood, which is notoriously difficult to dry without causing excessive distortion. The technique was also successfully extended to drying below the fibre saturation point. A specific dewatering and drying schedule was developed for N. fusca because of negligible dewatering using a schedule previously designed for wood with an open hydrofluidic network of interconnected vessels. An anatomical assessment confirmed lumen pathways were occluded with tyloses and polyphenol resins. A fluid dynamics assessment concluded that permeability measurements are recommended together with tortuosity and porosity information for improved wood species dewatering characterisation. Using the dewatering and drying schedule, collapse was successfully reduced by 92% for both normalised internal wood area and void collapse when compared to oven-dried samples. The beech specimens took 18 days to reach 17.3% moisture content (MC) but displayed some checking from early dewatering depressurisation, compared to air-dried control specimens which showed no collapse or checking but took 6 months to reach 12% MC. Supercritical CO2 dewatering and drying could be combined with extractives separation, preservative treatment, and mechanical forming of wood in one plant to make a potentially economically viable process with improved energy, environmental and carbon footprints. A techno-economic analysis is suggested to fully compare supercritical drying of wood against conventional drying operations.

Simulated end-of-life reuse of composites from marine applications using thermal reshaping of seawater-aged, glass fibre-reinforced acrylic materials

In this work, end-of-life reuse of continuous fibre-reinforced thermoplastic composites from marine applications has been simulated by thermally reshaping (reprocessing) seawater-aged materials. Specifically, resin-infused, V-shaped glass/acrylic composites were seawater-aged (60 °C; 170 h) and reprocessed in a heated hydraulic press (120 °C; 10 bar). Reprocessing promoted void collapse and increased short beam shear strengths. Unaged reprocessed materials retained 52 % and 57 % performance in flexural strength and modulus, (relative to virgin material), with corresponding retentions of 20 % and 62 % in the aged reprocessed materials, respectively. Ageing- and reprocessing-related flexural performance changes occurred due to mild matrix plasticisation and fibre misalignment, respectively.

DETECTION OF VOID NUCLEATION, COALESCENCE AND COLLAPSE IN ATOMISTIC SIMULATIONS

Extraction of required information from atomic configurations is crucial for efficient use of molecular dynamics (MD) simulations, and automating this process allows the collection of statistical data to develop and validate physical models and data-driven approaches. Here we update the previously developed pore searching algorithm to automatically detect the events of void nucleation, collapse and coalescence by comparing pairs of atomic configurations. We calculate an intersection matrix, which shows common regions between voids of current and previous time frames, and analysis of this intersection matrix gives a numerical criterion for determination of the considered events. The updated algorithm is verified in the case of small MD system and further used to analyze a large MD system with many hundreds of voids. The predominance of void collapse is confirmed in the case of uniform triaxial tension of solid aluminum, while void coalescence instead of collapse is detected in the case of a more complex loading with axial compression and lateral tension. This dependence of the predominant mechanism on the loading path correlates with previous finite element analysis in the literature. Another interesting finding is a continuing nucleation and collapse of voids far beyond the fracture beginning at a level of negative pressure much lower than the spall strength, which can be attributed to a developed defect structure of material produced by plastic growth of voids.

Physically evocative meso-informed sub-grid source term for energy localization in shocked heterogeneous energetic materials

Reactive burn models for heterogeneous energetic materials (EMs) must account for chemistry as well as microstructure to predict shock-to-detonation transition (SDT). Upon shock loading, the collapse of individual voids leads to ignition of hotspots, which then grow and interact to consume the surrounding material. The sub-grid dynamics of shock-void interactions and hotspot development are transmitted to macro-scale SDT calculations in the form of a global reactive “burn model.” This paper presents a physically evocative model, called meso-informed sub-grid source terms for energy localization (MISSEL), to close the macro-scale governing equations for calculating SDT. The model parameters are explicitly related to four measurable physical quantities: two depending on the microstructure (the porosity ϕ and average pore size D¯void), one depending on shock–microstructure interaction (the fraction of critical voids ξcr), and the other depending on the chemistry (the burn front velocity Vhs). These quantities are individually quantifiable using a small number of rather inexpensive meso-scale simulations. As constructed, the model overcomes the following problems that hinder the development of meso-informed burn models: (1) the opacity of more sophisticated surrogate/machine-learning approaches for bridging meso- and macro-scales, (2) the rather large number of high-resolution mesoscale simulations necessary to train machine-learning algorithms, and (3) the need for calibration of many free parameters that appear in phenomenological burn models. The model is tested against experimental data on James curves for a specific class of pressed 1,3,5,7-tetranitro-1,3,5,7-tetrazoctane materials. The simple, evocative, and fast-to-construct MISSEL model suggests a route to develop frameworks for physics-informed, simulation-derived meso-informed burn models.

Prediction Method of Residual Subsidence of Strip Goaf Located in Suburb for Safely Constructing Viaduct

Resource-based cities often face land scarcity during their developmental and expansionary phases. However, repurposing the goaf sites of suburban coal mines has been recognized as an effective strategy for alleviating this issue, particularly pertinent for suburban coal mines using strip mining techniques to protect ground-level structures. Old strip mining goaf is easily influenced by disturbance and leads to secondary surface deformation, which will threaten the construction above old strip mining goaf. Therefore, it is essential to provide a basis and reference for decision-makers regarding surface residual subsidence for strip mining. In the paper, based on the morphology and structure of the old strip mining goaf before the surface residual subsidence, the reason and mechanism of the residual subsidence of old strip mining goaf are studied. The results show that the main reasons for the “activation” of old strip mining goaf are the re-compaction of the under-compacted part of the fractured rock mass in the caving zone, the stripping and yielding of coal pillar under the action of groundwater erosion, weathering, and the collapse of residual voids. Based on the above analysis, a prediction model of the surface residual subsidence of the old strip mining goaf is proposed, which takes into account the compaction of the under-compacted area, the collapse of the residual voids, and the stripping and yielding of the coal pillar. The proposed method is implemented to evaluate the stability of a city viaduct goaf. Our research outcomes bear valuable theoretical and practical implications for site stability assessments of old strip mining goafs and the sustainable repurposing of land resources in suburban resource-based cities.

Cylindrical void growth vs. grain fragmentation in FCC single crystals: CPFEM study for two types of loading conditions

The crystal plasticity finite element method (CPFEM) is used to investigate the coupling between the cylindrical void growth or collapse and grain refinement in face-centred cubic (FCC) single crystals. A 2D plane strain model with one void is used. The effect of the initial lattice orientation, similarities, and differences between stress- and strain-driven loading scenarios are explored. To this end, boundary conditions are enforced in two different ways. The first one is based on maintaining constant in-plane stress biaxiality via a dedicated truss element, while the second one is imposing a constant displacement biaxiality factor. Uniaxial and biaxial loading cases are studied. For the uniaxial loading case a special configuration, which enforces an equivalent pattern of plastic deformation in the pristine crystal, is selected in order to investigate the mutual interactions between the evolving void and the developed lattice rotation heterogeneity. Next, biaxial loading cases are considered for three crystal orientations, one of which is not symmetric with respect to loading directions. It is analysed how stress or strain biaxility factors and initial lattice orientation influence the void evolution in terms of its size and shape. Moreover, the consequences of variations in the resulting heterogeneity of lattice rotation are studied in the context of the grain refinement phenomenon accompanying the void evolution. Scenarios that may lead to more advanced grain fragmentation are identified.

Nanovoid collapse mechanism in defect-free aluminum under isothermal and adiabatic conditions

Together with void nucleation, growth, and coalescence, void collapse is a crucial component in ductile spallation. This work reports single void collapse behaviors in perfect Al under isothermal and adiabatic conditions based on molecular dynamics simulations. Two typical void collapse mechanisms, spontaneous collapse and compressive collapse, are clearly revealed. At the initial stage of void collapse, the former may be primarily attributed to the surface tension and the viscosity effects, and the latter is due to the expanding compression of a big void to a small one. The inertia effect predominates the void collapse, especially at the late stage of collapse; the temperature softening effect also conduces to the collapse under adiabatic circumstances. The average radius of the void follows an exponent decrease, and void collapse behavior is unaffected by the spallation sequence. Lastly, it is phenomenologically discovered that isothermal tension and adiabatic shock are pretty similar in void evolution.

Investigations of void collapse in nanoporous Cu by molecular dynamics simulations

Mechanical responses of nanoporous Cu samples under various loading conditions are investigated by molecular dynamics simulations. Effects of loading mode, initial void size, temperature, and void distribution are analyzed. The simulations show that the collapse time under uniaxial compression is about three times that under triaxial compression, and the collapse rate increases as the temperature rises. Dislocation nucleation is found to stimulate the collapse of void. For samples with a single void, the final dislocation density under triaxial compression is lower than that under uniaxial compression, which is due to that the dislocation accumulation rate greatly slows down after the void is fully collapsed. For samples with multiple voids, the dislocation accumulation rate under triaxial compression is much faster than that under uniaxial compression, resulting in higher dislocation density under triaxial compression. Irrespective of the initial void size, the evolutions of compression stress and void volume fraction remain invariant when the initial void volume fraction is fixed; however, the dislocation density decreases as the initial void radius increases.

Theoretical study of the void collapse and shear band formation mechanism for β‐HMX

AbstractBased on molecular dynamics simulation, we obtain a shear band formation mechanism for β‐HMX. The shock wave reflected at void face induces rarefaction wave, and the velocity difference between rarefaction wave zone and shock wave zone induces slipping. A set of physical models are developed to describe the wave reflection, shear band expansion and energy dissipation. The orientation angle, face indices, expansion velocity and formation energy of shear bands are calculated. A complete physical picture for shear band formation is obtained.