skip to main content

Title: Simulating the mechanisms of serrated flow in interstitial alloys with atomic resolution over diffusive timescales

The Portevin-Le Chatelier (PLC) effect is a phenomenon by which plastic slip in metallic materials becomes unstable, resulting in jerky flow and the onset of inhomogeneous deformation. The PLC effect is thought to be fundamentally caused by the dynamic interplay between dislocations and solute atoms. However, this interplay is almost always inaccessible experimentally due to the extremely fine length and time scales over which it occurs. In this paper, simulations of jerky flow in W-O interstitial solid solutions reveal three dynamic regimes emerging from the simulated strain rate-temperature space: one resembling standard solid solution strengthening, another one mimicking solute cloud formation, and a third one where dislocation/solute coevolution leads to jerky flow as a precursor of dynamic strain aging. The simulations are carried out in a stochastic framework that naturally captures rare events in a rigorous manner, providing atomistic resolution over diffusive time scales using no adjustable parameters.

; ; ; ;
Publication Date:
Journal Name:
Nature Communications
Nature Publishing Group
Sponsoring Org:
National Science Foundation
More Like this
  1. Abstract

    Coupled groundwater flow and heat transport within hyporheic zones extensively affect water, energy, and solute exchange with surrounding sediments. The local and cumulative implications of this tightly coupled process strongly depend on characteristics of drivers (i.e., discharge and temperature of the water column) and modulators (i.e., hydraulic and thermal properties of the sediment). With this in mind, we perform a systematic numerical analysis of hyporheic responses to understand how the temporal variability of river discharge and temperature affect flow and heat transport within hyporheic zones. We identify typical time series of river discharge and temperature from gauging stations along the headwater region of Mississippi River Basin, which are characterized by different degrees of flow alteration, to drive a physics‐based model of the hyporheic exchange process. Our modeling results indicate that coupled groundwater flow and heat transport significantly affects the dynamic response of hyporheic zones, resulting in substantial differences in exchange rates and characteristic time scales of hyporheic exchange processes. We also find that the hyporheic zone dampens river temperature fluctuations increasingly with higher frequency of temperature fluctuations. This dampening effect depends on the system transport time scale and characteristics of river discharge and temperature variability. Furthermore, our results revealmore »that the flow alteration reduces the potential of hyporheic zones to act as a temperature buffer and hinders denitrification within hyporheic zones. These results have significant implications for understanding the drivers of local variability in hyporheic exchange and the implications for the development of thermal refugia and ecosystem functioning in hyporheic zones.

    « less
  2. We explore the rheology during a startup flow of well-characterized polyelectrolyte microgel suspensions, which form soft glasses above the jamming concentration. We present and discuss results measured using different mechanical histories focusing on the variations of the static yield stress and yield strain. The behavior of the shear stress growth function is affected by long-lived residual stresses and strains that imprint a slowly decaying mechanical memory inside the materials. The startup flow response is not reversible upon flow reversal and the amplitude of the static yield stress increases with the time elapsed after rejuvenation. We propose an experimental protocol that minimizes the directional memory and we analyze the effect of aging. The static yield strain γ p and the reduced static yield stress σ p / σ y , where σ y is the dynamic yield stress measured from steady flow measurements, are in good agreement with our previous simulations [Khabaz et al., “Transient dynamics of soft particle glasses in startup shear flow. Part I: Microstructure and time scales,” J. Rheol. 65, 241 (2021)]. Our results demonstrate the need to consider memory and aging effects in transient measurements on soft particle glasses.
  3. The accurate measurement of wall zeta potentials and solute–surface interaction length scales for electrolyte and non-electrolyte solutes, respectively, is critical to the design of many biomedical and microfluidic applications. We present a novel microfluidic approach using diffusioosmosis for measuring either the zeta potentials or the characteristic interaction length scales for surfaces exposed to, respectively, electrolyte or non-electrolyte solutes. When flows containing different solute concentrations merge in a junction, local solute concentration gradients can drive diffusioosmotic flow due to electrokinetic, steric, and other interactions between the solute molecules and solid surfaces. We demonstrate a microfluidic system consisting of a long, narrow pore connecting two large side channels in which solute concentration gradients drive diffusioosmosis within the pore, resulting in predictable fluid velocity/pressure and solute profiles. Furthermore, we present analytical results and a methodology to determine the zeta potential or interaction length scale for the pore surfaces based on the solute concentrations in the main side channels, the flow rate in the pore, and the pressure drop across the pore. We apply this method to the experimental data of Lee et al. to predict the zeta potentials of their system, and we use 3D numerical simulations to validate the theory and showmore »that end effects caused by the junctions are negligible for a wide range of parameters. Because the dynamics in the proposed system are driven by diffusioosmosis, this technique does not suffer from certain disadvantages associated with the use of sensitive electronics in traditional zeta potential measurement approaches such as streaming potential, streaming current, or electroosmosis. To the best of our knowledge this is the first flow-based approach to characterize surface/solute interactions with non-electrolyte solutes.« less
  4. Abstract

    The external drivers and internal controls of groundwater flow in the thawed “active layer” above permafrost are poorly constrained because they are dynamic and spatially variable. Understanding these controls is critical because groundwater can supply solutes such as dissolved organic matter to surface water bodies. We calculated steady‐state three‐dimensional suprapermafrost groundwater flow through the active layer using measurements of aquifer geometry, saturated thickness, and hydraulic properties collected from two major landscape types over time within a first‐order Arctic watershed. The depth position and thickness of the saturated zone is the dominant control of groundwater flow variability between sites and during different times of year. The effect of water table depth on groundwater flow dwarfs the effect of thaw depth. In landscapes with low land‐surface slopes (2–4%), a combination of higher water tables and thicker, permeable peat deposits cause relatively constant groundwater flows between the early and late thawed seasons. Landscapes with larger land‐surface slopes (4–10%) have both deeper water tables and thinner peat deposits; here the commonly observed permeability decrease with depth is more pronounced than in flatter areas, and groundwater flows decrease significantly between early and late summer as the water table drops. Groundwater flows are also affectedmore »by microtopographic features that retain groundwater that could otherwise be released as the active layer deepens. The dominant sources of groundwater, and thus dissolved organic matter, are likely wet, flatter regions with thick organic layers. This finding informs fluid flow and solute transport dynamics for the present and future Arctic.

    « less
  5. Abstract

    In this article we formulate a stable computational nonlocal poromechanics model for dynamic analysis of saturated porous media. As a novelty, the stabilization formulation eliminates zero‐energy modes associated with the original multiphase correspondence constitutive models in the coupled nonlocal poromechanics model. The two‐phase stabilization scheme is formulated based on an energy method that incorporates inhomogeneous solid deformation and fluid flow. In this method, the nonlocal formulations of skeleton strain energy and fluid flow dissipation energy equate to their local formulations. The stable coupled nonlocal poromechanics model is solved for dynamic analysis by an implicit time integration scheme. As a new contribution, we validate the coupled stabilization formulation by comparing numerical results with analytical and finite element solutions for one‐dimensional and two‐dimensional dynamic problems in saturated porous media. Numerical examples of dynamic strain localization in saturated porous media are presented to demonstrate the efficacy of the stable coupled poromechanics framework for localized failure under dynamic loads.