Results for “CsS3” | Engineering Papers

DOE OSTI2020

Materials Data on CsS3 by Materials Project

SSSCs crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten S+0.33- atoms. There are a spread of Cs–S bond distances ranging from 3.57–4.12 Å. In the second Cs1+ site, Cs1+ is bonded in a 11-coordinate geometry to eleven S+0.33- atoms. There are a spread of Cs–S bond distances ranging from 3.60–4.25 Å. There are six inequivalent S+0.33- sites. In the first S+0.33- site, S+0.33- is bonded in a 8-coordinate geometry to six Cs1+ and two S+0.33- atoms. There are one shorter (2.06 Å) and one longer (3.47 Å) S–S bond lengths. In the second S+0.33- site, S+0.33- is bonded in a 6-coordinate geometry to five Cs1+ and two S+0.33- atoms. The S–S bond length is 2.04 Å. In the third S+0.33- site, S+0.33- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two S+0.33- atoms. The S–S bond length is 2.06 Å. In the fourth S+0.33- site, S+0.33- is bonded in a 4-coordinate geometry to two Cs1+ and two S+0.33- atoms. The S–S bond length is 2.11 Å. In the fifth S+0.33- site, S+0.33- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and two S+0.33- atoms. The S–S bond length is 2.09 Å. In the sixth S+0.33- site, S+0.33- is bonded in a 5-coordinate geometry to three Cs1+ and two S+0.33- atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Hardening DOE R&D Software Tools for Web-based Visualization SBIR Phase I Final Report

Ubiquitous web-based visualization is essential to delivering large-scale data visualization to various stakeholders, from the scientist to the board member. These stakeholders will not tolerate a stalled application or a pop-up window asking them to wait for the processing to complete. They require a responsive and interactive visualization environment with high-quality imagery suitable for detailed analysis and boardroom presentations. At Kitware, Inc., we have accomplished web visualization to this point, leveraging state-of-the-art tools like HTML5, CSS3, SVG, Canvas, and WebGL. Solutions that leverage a combination of these technologies are necessary to handle workloads that vary significantly in data size efficiently. However, it is not always practical to move large data to the web client for visualization. Kitware's ParaView as a Service combines client-side visualization using both distributed processing and remote rendering on big data impractical to move. Existing distributed processing and remote rendering solution's interactivity is below the expectations of web-based applications. Our project examined proposed solutions to the areas outlined above in ParaView as a Service. We have investigated concurrent pipelines, streaming images, progressive rendering, and optimization of algorithms and data movement to address these concerns. For the Phase I project, we completed the proposed work plan. As a result, the project produced three prototypes of essential importance for web visualization and the ParaView as a Service community. We created a simple desktop application for an interactive streamline placement prototype, a web-based interactive streamline placement prototype, and a web-based progressive rendering utilizing raytracing prototype. These prototypes relied on the hardening of emerging software toolkits funded by the Department of Energy (DOE) Advanced Scientific Computing Research (ASCR) program (such as ParaView, VTK-m, and Mochi). We blended these components into web-based visualization prototypes that meet the industry's expectations for interactivity and responsiveness. The Phase I project had four essential focus areas: 1. Develop prototype ParaView as a Service backend server using asynchronous, non-blocking design principles. 2. Develop a prototype web application that uses the ParaView as a Service backend server for remote data visualization. 3. Implement image streaming with encoding/compression and progressive rendering capabilities in the proposed platform. 4. Evaluate the prototype developed and summarize observations, including the challenges and pitfalls of our approach. After our successful completion of Phase I, we are strongly positioned to propose a successful Phase II project.

Geveci, Berk↗