Smart Design of New Composite Materials with Chemical Simulation

化学模拟智能设计新型复合材料

• 批准号: 10074466
• 金额: $ 6.37万
• 依托单位: MOLYDYN LTD
• 依托单位国家: 英国
• 项目类别: Grant for R&D
• 财政年份: 2023
• 资助国家: 英国
• 起止时间: 2023 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=10074466
• 关键词: Smart; Design; New; Composite; Materials

The composite materials industry is one of the UKs best examples of manufacturing. Representing £4.0 billion of the UK economy, the industry will be key to creating carbon fibre parts for the future of green air travel and hydrogen storage. In order to support these developments, new plastic (otherwise known as polymer) materials need to be researched and brought to market faster. Many leading UK research institutions have identified that smart design through chemical simulation will drive discovery of the next generation of materials. The greatest barrier to this adoption of simulation tools in the materials industry is a lack of skilled computational chemists in the workforce.Molydyn has developed Atlas, an accessible chemical modelling platform can put simulation tools into the hands of all materials scientists. Chemical simulation can save £100,000s in material discovery projects by screening new polymers virtually before taking the best ones into the laboratory. These tools can predict material properties in hours rather than weeks of lab experiments. They are also far more resource efficient: no disposable gloves, single use plastics, or solvents are needed to virtually test materials.This project will expand the capabilities of Atlas, so that it can be used to simulate the viscosity of new polymer formulations. Viscosity is important when infusing carbon fibres with polymer, which can be incredibly resource intensive. Simulating the viscosity of polymers will allow for the discovery of optimised polymers that reduce the time and cost of manufacturing composite materials. This grant will also fund lab testing of commercial polymer systems that can be used to validate the simulation tools, and will be an important case study for future industrial customers.The output of this grant will power Molydyn's growth for the future. Expanding Atlas will make the platform more appealing to industry and academia alike. Coupled with the compelling case study, this project will support Molydyn's sales and become a core part of the future of Atlas. This comes at an important time for Molydyn who will be raising a pre-seed investment round at the end of 2023\.

复合材料行业是英国制造业的最佳范例之一，占英国经济的 40 亿英镑，该行业将成为为未来绿色航空旅行和氢存储制造碳纤维部件的关键，以支持这些发展。 ，新的塑料（也称为聚合物）材料需要更快地研究并推向市场，许多英国领先的研究机构已经发现，通过化学模拟进行的智能设计将推动下一代材料的发现，这是采用这种材料的最大障碍。材料行业缺乏材料模拟工具Molydyn 开发了 Atlas，这是一个易于使用的化学建模平台，可以将模拟工具交到所有材料科学家的手中。化学模拟可以通过在选择最佳材料之前对新聚合物进行虚拟筛选，从而在材料发现项目中节省 10 万英镑。这些工具可以在数小时而不是数周的实验室实验中预测材料特性，而且资源效率更高：无需一次性手套、一次性塑料或溶剂即可对材料进行虚拟测试。的能力Atlas，因此它可以用于模拟新聚合物配方的粘度，当将碳纤维与聚合物一起注入时，粘度非常重要，模拟聚合物的粘度将有助于发现可降低粘度的优化聚合物。这笔赠款还将资助可用于验证模拟工具的商业聚合物系统的实验室测试，并将成为未来工业客户的重要案例研究。这笔赠款的产出将提供动力。 Molydyn 的未来发展将使该平台对业界和学术界更具吸引力，该项目将支持 Molydyn 的销售并成为 Atlas 未来的核心部分。 Molydyn 将于 2023 年底筹集一轮种子前投资\。