复合材料创新：原子层面的深度见解，重大影响

碳纤维增强聚合物 (CFRP) 等材料可提供极大的强度重量比，满足飞机、太空卫星、风力涡轮机、跑车、海底石油生产和运动器械所需。但实际应用时却会受到制造成本的限制，因此在要求不太严苛的应用中，可以使用成本较低的玻璃填充复合材料。另一个挑战是可持续性：在使用寿命结束后，纤维很难提取和回收。橡胶化合物是另一种主要的复合材料，研究人员正在尝试优化配方、填充物和增材，以改善轮胎磨损、牵引力和滚动阻力。

先进复合材料在制造成本、材料强度、密度、耐用性、可塑性、粘附性、可持续性等方面都是一个极具竞争力的创新空间。这些问题的唯一解决方法就是通过使用建模和仿真，探索相关组成材料的原子相互作用。

BIOVIA Materials Studio 通过计算机仿真方法探究这些材料的行为，以加速聚合物复合材料的设计和开发。

聚合物
复合材料
多尺度建模

聚合物

预测纯聚合物的行为及其属性，比如玻璃化转变温度 (Tg)、杨氏模量、屈服应力和临界应变
进行交联仿真，以了解聚合物网络的形成以及化学结构、增材和加工对机械属性和 Tg 的影响
计算聚合反应和降解反应的反应能和动力学
探索催化剂特征，比如立体化学选择性
使用 BIOVIA COSMOtherm 预测热力学性质
使用定量构效关系 (QSPR) 模型将聚合物重复单元结构与 Tg、泊松比、热导率、折射率、断裂应力和渗透性等体积性质联系起来

探索我们的方法

聚合物与复合材料行业瞬息万变。了解如何利用 BIOVIA 保持领先

BIOVIA Materials Studio VAMP

Datasheets

BIOVIA Materials Studio Synthia

Datasheets

BIOVIA Materials Studio Mesocite

Datasheets

BIOVIA Materials Studio DMoL3

Datasheets

BIOVIA Materials Studio Forcite

Datasheets

BIOVIA Materials Studio Forcite Plus

Datasheets

BIOVIA Materials Studio FlexTS

Datasheets

BIOVIA Materials Studio Conformers

Datasheets

BIOVIA Materials Studio COMPASS

Datasheets

BIOVIA Materials Studio Blends

Datasheets

BIOVIA Materials Studio Amorphous Cell

Datasheets

BIOVIA Materials Studio Adsorption Locator

Datasheets

请进入 BIOVIA Materials Studio 用户社区，参加精彩的讨论！

density profile along the z-axis

I am using BIOVIA Materials Studio (Forcite MD) to analyze a vapor/liquid system, where the liquid layer is in the middle of the cell. I want to calculate a density profile along the z-axis using the Concentration profiles in Forcite --> analysis. However, the liquid layer is moved along z-axis during MD runs, so the concentration cannot be calculated correctly. My question is how to remove such

BIOVIA MATERIALS STUDIO

BIOVIA announces the release of BIOVIA TURBOMOLE 2026 HF1

BIOVIA TURBOMOLE 2026 HF1 was released in April 2026 and is available for download at https://software.3ds.com under BIOVIA products:Product line: Lab, Scientific and Content SolutionsRelease: 2026Level: BIOVIA 2026 GoldenFixes for this level: BIOVIA 2026 Golden HF3The following Technical Note informs you about BIOVIA TURBOMOLE 2026 HF1 including the release's supported operating systems, enhance

BIOVIA MATERIALS STUDIO

Cycle through structures in a Collection Document

This script cycles through the physical systems in a Collection Document (XOD), switching the visibility of each physical system on and off. I combine it with screen capture tools to make videos that cannot easily be animated in a single trajectory document (ie cross-linking where the bonding changes, or processes where molecules are added or deleted).It can also be used to show lots of different

BIOVIA MATERIALS STUDIO