Search

With a widely attended virtual kickoff event on January 29, 2021, the National Cancer Institute (NCI) and the Department of Energy (DOE) launched a series of 4 interactive, interdisciplinary workshops-and a final concluding "World Café" on March 29, 2021-focused on advancing computational approaches for predictive oncology in the clinical and research domains of radiation oncology. These events reflect 3,870 human hours of virtual engagement with representation from 8 DOE national laboratories and the Frederick National Laboratory for Cancer Research (FNL), 4 research institutes, 5 cancer centers, 17 medical schools and teaching hospitals, 5 companies, 5 federal agencies, 3 research centers, and 27 universities. Here we summarize the workshops by first describing the background for the workshops. Participants identified twelve key questions-and collaborative parallel ideas-as the focus of work going forward to advance the field. These were then used to define short-term and longer-term "Blue Sky" goals. In addition, the group determined key success factors for predictive oncology in the context of radiation oncology, if not the future of all of medicine. These are: cross-discipline collaboration, targeted talent development, development of mechanistic mathematical and computational models and tools, and access to high-quality multiscale data that bridges mechanisms to phenotype. The workshop participants reported feeling energized and highly motivated to pursue next steps together to address the unmet needs in radiation oncology specifically and in cancer research generally and that NCI and DOE project goals align at the convergence of radiation therapy and advanced computing.

Heterogenous materials under shock compression can be expected to reach different shock states throughout the material according to local differences in microstructure and the history of wave propagation. Here, a compact, multiple-beam focusing optic assembly is used with high-speed velocimetry to interrogate the shock response of porous tantalum films prepared through thermal-spray deposition. The distribution of particle velocities across a shocked interface is compared to results obtained using a set of defocused interferometric beams that sampled the shock response over larger areas. The two methods produced velocity distributions along the shock plateau with the same mean, while a larger variance was measured with narrower beams. The finding was replicated using three-dimensional, mesoscopically resolved hydrodynamics simulations of solid tantalum with a pore structure mimicking statistical attributes of the material and accounting for radial divergence of the beams, with agreement across several impact velocities. Accounting for pore morphology in the simulations was found to be necessary for replicating the rise time of the shock plateau. The validated simulations were then used to show that while the average velocity along the shock plateau could be determined accurately with only a few interferometric beams, accurately determining the width of the velocity distribution, which here was approximately Gaussian, required a beam dimension much smaller than the spatial correlation lengthscale of the velocity field, here by a factor of ∼30×, with implications for the study of other porous materials. [ABSTRACT FROM AUTHOR]

The equation of state (EOS) of bulk niobium (Nb) was investigated within the framework of density functional theory, with Mermin's generalization to finite temperatures. The shock Hugoniot for fully-dense and porous Nb was obtained from canonical ab initio molecular dynamics simulations with Erpenbeck's approach based on the Rankine-Hugoniot jump conditions. The phase space was sampled along isotherms between 300 and 4000 K, for densities ranging from ρ = 5.5 to 12 g/cm 3. Results from simulations compare favorably with room-temperature multianvil and diamond anvil cell data for fully-dense Nb samples and with a recent tabulated SESAME EOS. The results of this study indicate that, for the application of weak and intermediate shocks, the tabular EOS models are expected to give reliable predictions. [ABSTRACT FROM AUTHOR]

We examine the optical activity, birefringence, and transparency of Lanthanum-doped, lead zirconate titanate (PLZT 7/65/35) bulk ceramic wafer sections over visible and near-IR spectra and on heating. Optical transitions are compared to both crystallographic (rhombohedral-cubic) and domain (relaxor-ferroelectric) transitions identified with x-ray diffraction, dielectric, and calorimetry measurements. Optical activity and birefringence are shown to be enhanced for disordered domains near room temperature, to attenuate above the relaxor-ferroelectric transition and to gradually decay above the Curie point regardless of the initial poling state. The results are interpreted in light of the change of crystallographic symmetry due to the local strains induced by ferroelectric architecture. The heterogeneous local strains more strongly influence the optical properties than the macro-scale structure of the polycrystalline PLZT ceramic. This mechanism is significant for understanding optical rotation and birefringence in polycrystalline systems. Finally, the specific rotation (up to 350°/mm) lies among the highest reported for crystalline materials. Along with strong poling contrast and comparatively small dispersion for the unpoled state, these properties are promising for electro-optics applications. [ABSTRACT FROM AUTHOR]

According to classical thermodynamics, biological ligand-receptor bonds should have a median lifetime of about 2 ms, and nearly half should have lifetimes of nanoseconds to microseconds. As a result, it is clear that many "weak" bonds are indispensable for cellular adhesion, signaling, and other critical events. However, the forces required to rupture such weak bonds and the adhesion they provide between surfaces are largely unknown because of their propensity to dissociate rapidly from a measuring probe. To measure such weak bond forces quantitatively, we followed nature's example of adhering surfaces with many weak ligand-receptor bonds. Analogously to how multiplicity promotes stronger adhesion between cellular membranes, multiple bonds created significant adhesion between model cellular surfaces. Specifically, we used an automated surface forces apparatus to measure the adhesion between complementary surfaces bearing dense populations of streptavidin receptors and flexible PEG tethers that each anchored a weakly binding ligand (HABA, or 2-(4-hydroxyphenylazo) benzoic acid). We show that this short-lived bond (<100 mus) leads to low forces of dissociation and only a small fraction being simultaneously bound. These results are significant because the HABA-streptavidin bond energy ( approximately 10.5kBT) is similar to the average found in nature (14.7kBT). The measurements exemplify how a single ligand-receptor bond may fall apart and rejoin many times before completing a cellular function yet can still exhibit strength in numbers.