Publications

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This report is a summary of the international collaboration and laboratory work funded by the US Department of Energy Office (DOE) of Nuclear Energy Spent Fuel and Waste Science & Technology (SFWST) as part of the Sandia National Laboratories Salt R&D work package. This report satisfies milestone level-four milestone M4SF-19SNO10303064. Several stand-alone sections make up this summary report, each completed by the participants. The first two sections discuss international collaborations on geomechanical benchmarking exercises (WEIMOS), granular salt reconsolidation (KOMPASS), engineered barriers (RANGERS), and documentation of Features, Events, and Processes (FEPs).

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The mechanical response of additively manufactured (AM) stainless steel 304L has been investigated across a broad range of loading conditions, covering 11 decades of strain rate, and compared with the behaviors of traditional ingot-derived (wrought) material. In general, the AM material exhibits a greater strength and reduced ductility compared with the baseline wrought form. These differences are consistently found from quasi-static and high strain rate tests. A detailed investigation of the microstructure, the defect structure, the phase, and the composition of both forms reveals differences that may contribute to the differing mechanical behaviors. Compared with the baseline wrought material, dense AM stainless steel 304L has a more complex grain structure with substantial sub-structure, a fine dispersion of ferrite, increased dislocation density, oxide dispersions and larger amounts of nitrogen. In-situ neutron diffraction studies conducted during quasi-static loading suggest that the increased strength of AM material is due to its initially greater dislocation density. The flow strength of both forms is correlated with dislocation density through a square root dependence akin to a Taylor-like relationship. Neutron diffraction measurements of lattice strains also correlate with a crystal plasticity finite element simulations of the tensile test. Other simulations predict a significant degree of elastic and plastic anisotropy due to crystallographic texture. Hopkinson tests at higher strain rates $\dot{ε}$ = 500 and 2500 s^-1 ) also show a greater strength for AM stainless steel 304L; although, the differences compared with wrought are reduced at higher strain rates. Gas gun impact tests, including reverse ballistic, forward ballistic and spall tests, consistently reveal a larger dynamic strength in the AM material. The Hugoniot Elastic Limit (HEL) of AM SS 304L exceeds that of wrought material although considerable variability is observed with the AM material. Forward ballistic testing demonstrates spall strengths of AM material (3.27 -- 3.91 GPa) that exceed that of the wrought material (2.63 -- 2.88 GPa). The Hugoniot equation-of-state for AM samples matches archived data for this metal alloy.

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Bedded salt contains interfaces between the host salt and other in situ materials such as clay seams, or different materials such as anhydrite or polyhalite in contact with the salt. These inhomogeneities are thought to have first-order effects on the closure of nearby drifts and potential roof collapses. Despite their importance, characterizations of the peak shear strength and residual shear strength of interfaces in salt are extremely rare in the published literature. This paper presents results from laboratory experiments designed to measure the mechanical behavior of a bedding interface or clay seam as it is sheared. The series of laboratory direct shear tests reported in this paper were performed on several samples of materials from the Permian Basin in New Mexico. These tests were conducted at several normal and shear loads up to the expected in situ pre-mining stress conditions. Tests were performed on samples with a halite/clay contact, a halite/anhydrite contact, a halite/polyhalite contact, and on plain salt samples without an interface for comparison. Intact shear strength values were determined for all of the test samples along with residual values for the majority of the tests. The test results indicated only a minor variation in shear strength, at a given normal stress, across all samples. This result was surprising because sliding along clay seams is regularly observed in the underground, suggesting the clay seam interfaces should be weaker than plain salt. Post-test inspections of these samples noted that salt crystals were intrinsic to the structure of the seam, which probably increased the shear strength as compared to a more typical clay seam.

The Munson-Dawson (MD) constitutive model was originally developed in the 1980's to predict the thermomechanical behavior of rock salt. Since then, it has been used to simulate the evolution of the underground in nuclear waste repositories, mines, and storage caverns for gases and liquids. This report covers three enhancements to the MD model. (1) New transient and steady-state rate terms were added to capture salt's creep behavior at low equivalent stresses (below about 8 MPa). These new terms were calibrated against a series of triaxial compression creep experiments on salt from the Waste Isolation Pilot Plant. (2) The equivalent stress measure was changed from the Tresca stress to the Hosford stress. By varying a single exponent, the Hosford stress can reduce to the Tresca stress, the von Mises stress, or a range of behaviors in-between. This exponent was calibrated against true triaxial compression experiments on salt hollow cylinders. (3) The MD model's numerical implementation was overhauled, adding a line search algorithm to the implicit solution scheme. The new implementation was verified against analytical solutions, and benchmarked against a pre-existing implementation on a room closure simulation. The new implementation pre- dicted virtually identical room closure, yet sped up the simulation by 16x . (The source code of the new implementation is included in an appendix of this report.)

This project targeted a full-field understanding of the conversion of plastic work into heat using advanced diagnostics (digital image correlation, DIC, combined with infrared, IR, imaging). This understanding will act as a catalyst for reformulating the prevalent simplistic model, which will ultimately transform Sandia's ability to design for and predict thermomechanical behavior, impacting national security applications including nuclear weapon assessments of accident scenarios. Tensile 304L stainless steel dogbones are pulled in tension at quasi-static rates until failure and full-field deformation and temperature data are captured, while accounting for thermal losses. The IR temperature fields are mapped onto the DIC coordinate system (Lagrangian formulation). The resultant fields are used to calculate the Taylor-Quinney coefficient, β, at two strain rates rates (0.002 s^-1 and 0.08 s^-1) and two temperatures (room temperature, RT, and 250°C).

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Many existing shape memory alloy (SMA) devices consist of slender beams and frames. To better understand SMA beam behavior, we experimentally examined the isothermal, room temperature response of superelastic NiTi rods and tubes, of similar outer diameters, subjected to four different modes of loading. Pure tension, pure compression, and pure bending experiments were first performed to establish and compare the baseline uniaxial and bending behaviors of rods and tubes. Column buckling experiments were then performed on rod and tube columns of several slenderness ratios to investigate their mechanical responses, phase transformation kinetics under combined uniaxial and bending deformation, and the interaction between material and structural instabilities. In all experiments, stereo digital image correlation measured local displacement fields in order to capture phenomena such as strain localization and propagating phase boundaries. Superelastic mechanical behavior and the nature of stress-induced phase transformation were found to be strongly affected by specimen geometry and the deformation mode. Under uniaxial tension, both the rod and tube had well-defined loading and unloading plateaus in their superelastic responses, during which stress-induced phase transformation propagated along the length of the specimen in the form of a high/low strain front. Due to the dependence of strain localization on kinematic compatibility, the high/low strain front morphologies differed between the rod and tube: for the rod, the high/low strain front consisted of a diffuse “neck”, while the high/low strain front in the tube consisted of distinct, criss-crossing “fingers.” During uniaxial compression, both cross-sectional forms exhibited higher transformation stresses and smaller transformation strains than uniaxial tension, highlighting the now well-known tension-compression asymmetry of SMAs. Additionally, phase transformation localization and propagation were absent under compressive loading. During pure bending, the moment-curvature response of both forms exhibited plateaus and strain localization during forward and reverse transformations. Rod specimens developed localized, high-curvature regions that propagated along the specimen axis and caused shear strain near the high/low curvature interface; whereas, the tube specimens exhibited finger/wedge-like high strain regions over the tensile side of the tube which caused nonlinear strain profiles through the thickness of the specimen that did not propagate. It was therefore found that classical beam theory assumptions did not hold in the presence of phase transformation localization (although, the assumptions did hold on average for the tube). During column buckling, the structures were loaded into the post-buckling regime yet recovered nearly-straight forms upon unloading. Strain localization was observed only for high aspect ratio (slender) tubes, but the mechanical responses were similar to that of rods of the same slenderness ratio. Also, an interesting “unbuckling” phenomenon was discovered in certain low aspect ratio (stout) columns, where late post-buckling straightening was observed despite continuous monotonic loading. Thus, these behaviors are some of the challenging phenomena which must be captured when developing SMA constitutive models and executing structural simulations.

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In situ neutron diffraction measurements were completed for this study during tensile and compressive deformation of stainless steel 304L additively manufactured (AM) using a high power directed energy deposition process. Traditionally produced wrought 304L material was also studied for comparison. The AM material exhibited roughly 200 MPa higher flow stress relative to the wrought material. Crystallite size, crystallographic texture, dislocation density, and lattice strains were all characterized to understand the differences in the macroscopic mechanical behavior. The AM material’s initial dislocation density was about 10 times that of the wrought material, and the flow strength of both materials obeyed the Taylor equation, indicating that the AM material’s increased yield strength was primarily due to greater dislocation density. Finally, a ~50 MPa flow strength tension/compression asymmetry was observed in the AM material, and several potential causes were examined.

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This report is a summary of the international collaboration and laboratory work funded by the US Department of Energy Office of Nuclear Energy Spent Fuel and Waste Science & Technology (SFWST) as part of the Sandia National Laboratories Salt R&D work package. This report satisfies milestone levelfour milestone M4SF-17SN010303014. Several stand-alone sections make up this summary report, each completed by the participants. The first two sections discuss international collaborations on geomechanical benchmarking exercises (WEIMOS) and bedded salt investigations (KOSINA), while the last three sections discuss laboratory work conducted on brucite solubility in brine, dissolution of borosilicate glass into brine, and partitioning of fission products into salt phases.

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Room D was an in-situ, isothermal, underground experiment conducted at theWaste Isolation Pilot Plant between 1984 and 1991. The room was carefully instrumented to measure the horizontal and vertical closure immediately upon excavation and for several years thereafter. Early finite element simulations of salt creep around Room D under predicted the vertical closure by 4.5×, causing investigators to explore a series of changes to the way Room D was modeled. Discrepancies between simulations and measurements were resolved through a series of adjustments to model parameters, which were openly acknowledged in published reports. Interest in Room D has been rekindled recently by the U.S./German Joint Project III and Project WEIMOS, which seek to improve the predictions of rock salt constitutive models. Joint Project participants calibrate their models solely against laboratory tests, and benchmark the models against underground experiments, such as room D. This report describes updating legacy Room D simulations to today’s computational standards by rectifying several numerical issues. Subsequently, the constitutive model used in previous modeling is recalibrated two different ways against a suite of new laboratory creep experiments on salt extracted from the repository horizon of the Waste Isolation Pilot Plant. Simulations with the new, laboratory-based, calibrations under predict Room D vertical closure by 3.1×. A list of potential improvements is discussed.

Room D was an in-situ, isothermal, underground experiment conducted at the Waste Isolation Pilot Plant between 1984 and 1991. The room was carefully instrumented to measure the horizontal and vertical closure immediately upon excavation and for several years thereafter. Early finite element simulations of salt creep around Room D under-predicted the vertical closure by 4.5×, causing investigators to explore a series of changes to the way Room D was modeled. Discrepancies between simulations and measurements were resolved through a series of adjustments to model parameters, which were openly acknowledged in published reports. Interest in Room D has been rekindled recently by the U.S./German Joint Project III and Project WEIMOS, which seek to improve the predictions of rock salt constitutive models. Joint Project participants calibrate their models solely against laboratory tests, and benchmark the models against underground experiments, such as room D. This report describes updating legacy Room D simulations to today’s computational standards by rectifying several numerical issues. Subsequently, the constitutive model used in previous modeling is recalibrated two different ways against a suite of new laboratory creep experiments on salt extracted from the repository horizon of the Waste Isolation Pilot Plant. Simulations with the new, laboratory-based, calibrations under-predict Room D vertical closure by 3.1×. A list of potential improvements is discussed.

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This report presents an experimental study motivated by results obtained during the 2013 Sandia Fracture Challenge. The challenge involved A286 steel, shear-dominated compression specimens whose load-deflection response contained a load maximum fol- lowed by significant displacement under decreasing load, ending with a catastrophic fracture. Blind numerical simulations deviated from the experiments well before the maximum load and did not predict the failure displacement. A series of new tests were conducted on specimens machined from the original A286 steel stock to learn more about the deformation and failure processes in the specimen and potentially improve future numerical simulations. The study consisted of several uniaxial tension tests to explore anisotropy in the material, and a set of new tests on the compression speci- men. In some compression specimen tests, stereo digital image correlation (DIC) was used to measure the surface strain fields local to the region of interest. In others, the compression specimen was loaded to a given displacement prior to failure, unloaded, sectioned, and imaged under the microscope to determine when material damage first appeared and how it spread. The experiments brought the following observations to light. The tensile tests revealed that the plastic response of the material is anisotropic. DIC during the shear- dominated compression tests showed that all three in-plane surface strain components had maxima in the order of 50% at the maximum load. Sectioning of the specimens revealed no signs of material damage at the point where simulations deviated from the experiments. Cracks and other damage did start to form approximately when the max- imum load was reached, and they grew as the load decreased, eventually culminating in catastrophic failure of the specimens. In addition to the steel specimens, a similar study was carried out for aluminum 7075-T651 specimens. These specimens achieved much lower loads and displacements, and failure occurred very close to the maximum in the load-deflection response. No material damage was observed in these specimens, even when failure was imminent. In the future, we plan to use these experimental results to improve numerical simu- lations of the A286 steel experiments, and to improve plasticity and failure models for the Al 7075 stock. The ultimate goal of our efforts is to increase our confidence in the results of numerical simulations of elastic-plastic structural behavior and failure.

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