Exploring the linkage between mechanical behaviour and particle-scale interaction of kaolinite

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The response of clay to mechanical compression is highly dependent on its stress history. Generally, normally consolidated clays exhibit a relatively soft response, while overconsolidated clays exhibit a much stiffer response upon reloading. In the literature this difference has been qualitatively attributed to differences in clay microstructure. In this paper, coarse-grained molecular dynamics simulations are used to propose that an additional contribution comes from the non-linear, non-monotonic relationship between the inter-particle forces and the separation distances. At large separation distances, clay particles interact by way of repulsive non-contact forces when the particles initially become close enough to interact. The strength of the mutual repulsion increases with decreasing separation until a maximum repulsive interaction energy, termed an energy barrier, is reached. Once this energy barrier is overcome, the particle interactions become attractive so that the particles effectively become bonded to each other. A new approach to interaction models for particle-scale simulation is used in this paper to show that the compressive forces experienced by particles under engineering stress levels are sufficient to push particle pairs into this attractive force regime; and that, upon subsequent unloading, these particles remain bonded to each other. The difference in macro-scale compressibility between normally consolidated and overconsolidated clays can be explained, at least in part, by this attraction and by particles irreversibly bonding together.

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77 Background: Large breast volume (BV) and distance of separation (DoS) have historically served as exclusionary criteria for hypofractionated whole breast irradiation (H-WBI). We investigate dosimetric parameters impacting toxicity and cosmesis. Methods: 299 consecutive patients with T0-2,N0-1,M0 breast cancer were treated with H-WBI at a single institution from 2007-2013. 4,256 cGy were delivered in 16 fractions via tangent photon beams utilizing inverse planning, with objectives to limit the V105 to 15%, the V110 to 2%, and the V115% to <0.1%. 227 patients with available treatment planning information and at least 6 months of follow-up (FU) were analyzed. Dosimetric parameters were correlated with acute (≤6 months post-treatment) and chronic toxicity and overall cosmesis. Proportions of toxicity grade and cosmesis score were compared with chi-square or Fisher exact tests. Results: With a median FU of 2.7 years (range 0.4-6.6 years), there were no local or regional recurrences, 1 distant failure, and one in-field angiosarcoma. Rates of any acute and chronic grade 1/2/3 toxicity were 47%/32%/9% and 53%/22%/7%. Cosmesis (beyond 6 months) was reported as excellent, good, and fair in 45%, 55%, and <1% of patients. The V105 was the best predictor for cosmesis and chronic toxicity, with a V105≤10% being associated with better cosmesis (excellent vs fair/poor) and lower toxicity (grade 0 vs grade 1 vs grade 2/3) compared to a V105>10% (p=0.09 and 0.03, respectively). The mean DoS was 22 cm, with 22% and 3% of patients having a DoS greater than 25 cm and 28 cm. The mean BV was 1523 cc, with 19% and 5% having a BV greater than 2000 cc and 2500 cc. Neither a larger DoS nor a larger BV correlated with an inability to achieve a V105≤10% (p= 0.37 and p=0.13, respectively). Neither DoS nor BV predicted for worse acute toxicity, chronic toxicity, or cosmesis. Conclusions: Minimizing the V110 and V115 and limiting the V105 to ≤10% are useful dosimetric objectives to achieve excellent or good cosmesis following H-WBI. Acceptable toxicity and excellent cosmesis are achievable in women with large DoS or BV, provided techniques to maximize dose homogeneity are employed.

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